A0A087XG26_POEFO Loading...

Probable serine carboxypeptidase CPVL

May be involved in the digestion of phagocytosed particles in the lysosome, participation in an inflammatory protease cascade, and trimming of peptides for antigen presentation.

AlphaFold DB , UniProt , Accession A0A087XG26, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 478 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.4	Very low	29.6	Very low	233 Å²	233	161.4 Å²	161.4	100%	1.148	82%	0.821	S	S	*	*				0	84.2	0	-79.4	-176.1	-99.2	0	0	106.7
2	L	30.9	Very low	29.6	Very low	157 Å²	157	170.3 Å²	170.3	82%	0.822	84%	0.837	S	S	*	*				82	105.4	115.7	-97.4	89.5	0	0	0	110.8
3	R	30.5	Very low	29.6	Very low	202 Å²	202	163.6 Å²	163.6	76%	0.762	83%	0.826	S	S	*	*				58.3	134.5	80.2	-80.1	-164.8	164.8	-174.6	2.8	110.7
4	E	33.5	Very low	29.5	Very low	131 Å²	131	161 Å²	161	61%	0.612	83%	0.828	S	S	*	*			cis	-179.1	151.5	7.5	-117.7	165.3	-161	0	0	105.8
5	T	30	Very low	29.4	Very low	111 Å²	111	162.1 Å²	162.1	68%	0.681	84%	0.835	S	S	*	*			trans	55.6	120.4	136.4	-24.5	0	0	0	0	121.5
6	L	25.7	Very low	29.1	Very low	158 Å²	158	155.8 Å²	155.8	83%	0.827	82%	0.822	S	S	*	*				166.8	131.5	108	-103.8	118.3	0	0	0	113.5
7	A	26	Very low	28.9	Very low	79 Å²	79	154.2 Å²	154.2	65%	0.653	82%	0.823	S	S	*	*			trans	65.5	97	141.6	0	0	0	0	0	120.2
8	L	28.1	Very low	28.7	Very low	182 Å²	182	151.2 Å²	151.2	95%	0.953	82%	0.823	S	S	*	*			trans	-125	65.2	141	-94.9	150.4	0	0	0	108.7
9	L	28.6	Very low	28.6	Very low	156 Å²	156	148.2 Å²	148.2	82%	0.817	82%	0.821	S	S	*	*			trans	-77.4	113.5	148.9	-92.4	152.9	0	0	0	105.7
10	F	30.5	Very low	28.5	Very low	194 Å²	194	145.4 Å²	145.4	85%	0.851	82%	0.818	S	S	*	*			trans	153.1	87.5	151.4	-96.2	-75.8	0	0	0	109
11	L	27.3	Very low	28.6	Very low	172 Å²	172	143 Å²	143	90%	0.901	82%	0.816	S	S	*	*			trans	-173	58.6	148.7	-99.2	148.8	0	0	0	108.4
12	W	29.7	Very low	29	Very low	268 Å²	268	143.8 Å²	143.8	100%	1.015	81%	0.806	S	S	*	*			trans	-131	73.5	167.3	-126.2	39.3	0	0	0	108.2
13	A	30.1	Very low	29.4	Very low	84 Å²	84	138.1 Å²	138.1	69%	0.694	78%	0.78	S	S	*	*			trans	-165.8	137	161.5	0	0	0	0	0	106.7
14	C	27.6	Very low	29.9	Very low	127 Å²	127	130.1 Å²	130.1	86%	0.858	75%	0.754	S	S	*	*			trans	90.7	51.5	-179.5	-51.3	0	0	0	0	116.7
15	L	27.4	Very low	30.4	Very low	178 Å²	178	124 Å²	124	93%	0.932	73%	0.726	S	S	*	*			trans	-124	102.7	134.8	-75.3	170.5	0	0	0	106.1
16	G	25.2	Very low	31	Very low	61 Å²	61	120.5 Å²	120.5	63%	0.629	71%	0.706	S	S	*	*			trans	-59	159.2	174.7	0	0	0	0	0	110.7	A18	G16-A18 PolarHBondContact O-N 2.58Å
17	P	25	Very low	31.8	Very low	129 Å²	129	114.5 Å²	114.5	84%	0.838	67%	0.674	S	S	*	*			trans	-62.7	111.9	179.5	27.5	-31.4	0	0	0	107.8	A19	P17-A19 VanDerWaalsContact C-N 3.34Å; P17-A19 PolarHBondContact O-N 2.75Å
18	A	25.6	Very low	32.7	Very low	99 Å²	99	112 Å²	112	82%	0.818	65%	0.648	S	S	*	*			trans	-57.5	107.7	159.6	0	0	0	0	0	105.5	G16 A20	G16-A18 PolarHBondContact O-N 2.58Å; A18-A20 PolarHBondContact O-N 3.13Å
19	A	26.8	Very low	33.5	Very low	95 Å²	95	105.6 Å²	105.6	79%	0.785	62%	0.618	S	S	*	*			trans	-56.6	105.3	172.2	0	0	0	0	0	106.8	P17 A21	P17-A19 VanDerWaalsContact C-N 3.34Å; P17-A19 PolarHBondContact O-N 2.75Å; A19-A21 PolarHBondContact O-N 3.25Å
20	A	27	Very low	34.8	Very low	92 Å²	92	105.9 Å²	105.9	76%	0.76	61%	0.608	S	S	*	*			trans	-55.8	108.7	163.9	0	0	0	0	0	105.8	A18 R22	A18-A20 PolarHBondContact O-N 3.13Å; A20-R22 PolarHBondContact O-N 3.2Å
21	A	30	Very low	35.7	Very low	94 Å²	94	104.1 Å²	104.1	78%	0.777	60%	0.6	S	S	*	*			trans	-58.5	115.2	177.5	0	0	0	0	0	107.3	A19 S23	A19-A21 PolarHBondContact O-N 3.25Å; A21-S23 PolarHBondContact O-N 3.27Å
22	R	43.8	Very low	36.7	Very low	250 Å²	250	99 Å²	99	94%	0.943	58%	0.579	S	S	*	*			trans	-60.6	115.1	174.8	-62.9	175.3	-179.6	176.4	-2	107.2	A20	A20-R22 PolarHBondContact O-N 3.2Å
23	S	38.8	Very low	38	Very low	39 Å²	39	88.4 Å²	88.4	27%	0.273	54%	0.542	S	S	.	.			trans	-118.7	95.3	172.9	-177.1	0	0	0	0	106	A21 Q312 T318	A21-S23 PolarHBondContact O-N 3.27Å; S23-Q312 PolarHBondContact O-NE2 2.88Å; S23-T318 VanDerWaalsContact OG-CG2 3.29Å; S23-T318 WeakPolarHBondContact OG-CG2 3.23Å; S23-T318 PolarHBondContact OG-OG1 3.48Å
24	C	40.6	Very low	39.1	Very low	33 Å²	33	93.8 Å²	93.8	22%	0.223	54%	0.544	C	S	.	.			trans	-113.6	161.6	158	105.3	0	0	0	0	107.6	C29	C24-C29 VanDerWaalsContact CA-SG 3.58Å; C24-C29 HydrophobicContact CB-CB 4.31Å; C24-C29 WeakPolarHBondContact CB-SG 2.8Å; C24-C29 WeakPolarHBondContact SG-CA 3.49Å; C24-C29 WeakPolarHBondContact SG-CB 3.48Å; C24-C29 CovalentContact SG-SG 2.03Å; C24-C29 PolarHBondContact SG-SG 3.31Å
25	S	45.6	Very low	40.2	Very low	2 Å²	2	89.2 Å²	89.2	1%	0.014	51%	0.512	C	S	.	.			trans	-53.7	139.5	-171.6	166.9	0	0	0	0	112.1	F27 F28 C29 Y320 F321 E328	S25-F27 PolarHBondContact O-N 3.34Å; S25-F27 VanDerWaalsContact O-N 3.17Å; S25-F27 PolarHBondContact OG-N 2.95Å; S25-F28 CarbonylContact O-C 3.59Å; S25-F28 PolarHBondContact O-N 3.47Å; S25-C29 WeakPolarHBondContact O-CB 3.18Å; S25-C29 PolarHBondContact O-N 3.21Å; S25-Y320 WeakPolarHBondContact CB-OH 3.49Å; S25-F321 VanDerWaalsContact OG-CE2 3.27Å; S25-F321 WeakPolarHBondContact OG-CE2 3.48Å; S25-E328 WeakPolarHBondContact CA-OE1 3.31Å; S25-E328 WeakPolarHBondContact CB-OE1 3.3Å; S25-E328 PolarHBondContact OG-OE1 3.07Å; S25-E328 PolarHBondContact OG-OE2 2.84Å
26	S	41.9	Very low	41.2	Very low	39 Å²	39	83.1 Å²	83.1	27%	0.273	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-24.4	-178.9	78.4	0	0	0	0	112.5	F28 E328 E333	S26-F28 PolarHBondContact O-N 3.34Å; S26-E328 PolarHBondContact N-OE1 2.74Å; S26-E328 PolarHBondContact OG-OE2 3.32Å; S26-E333 WeakPolarHBondContact CB-OE1 3.34Å; S26-E333 PolarHBondContact OG-OE1 3.16Å
27	F	42.7	Very low	42.1	Very low	32 Å²	32	83.9 Å²	83.9	14%	0.14	49%	0.493	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-31.8	172.8	-137.7	-92.4	0	0	0	114.3	S25 Q114 F123 F321	S25-F27 PolarHBondContact O-N 3.34Å; S25-F27 VanDerWaalsContact O-N 3.17Å; S25-F27 PolarHBondContact OG-N 2.95Å; F27-Q114 HydrophobicContact CE1-CG 4.27Å; F27-Q114 HydrophobicContact CZ-CG 3.57Å; F27-F123 HydrophobicContact CD2-CD2 4.15Å; F27-F123 AromaticContact CD2-CE2 3.9Å; F27-F123 HydrophobicContact CD2-CE2 3.9Å; F27-F123 HydrophobicContact CD2-CZ 4.1Å; F27-F123 HydrophobicContact CE2-CB 4.36Å; F27-F123 AromaticContact CE2-CD1 3.66Å; F27-F123 HydrophobicContact CE2-CD1 3.66Å; F27-F123 AromaticContact CE2-CD2 3.58Å; F27-F123 HydrophobicContact CE2-CD2 3.58Å; F27-F123 AromaticContact CE2-CE1 3.71Å; F27-F123 HydrophobicContact CE2-CE1 3.71Å; F27-F123 AromaticContact CE2-CE2 3.64Å; F27-F123 HydrophobicContact CE2-CE2 3.64Å; F27-F123 AromaticContact CE2-CG 3.6Å; F27-F123 HydrophobicContact CE2-CG 3.6Å; F27-F123 AromaticContact CE2-CZ 3.7Å; F27-F123 HydrophobicContact CE2-CZ 3.7Å; F27-F123 HydrophobicContact CZ-CD1 4.26Å; F27-F123 HydrophobicContact CZ-CG 4.24Å; F27-F321 HydrophobicContact CB-CE2 4.05Å; F27-F321 HydrophobicContact CB-CZ 3.98Å; F27-F321 HydrophobicContact CG-CZ 4.29Å
28	F	44	Very low	43.1	Very low	25 Å²	25	83.1 Å²	83.1	11%	0.11	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-15.5	-175.5	-65.1	-83.9	0	0	0	113.1	S25 S26 R30 D303 Y320 F321	S25-F28 CarbonylContact O-C 3.59Å; S25-F28 PolarHBondContact O-N 3.47Å; S26-F28 PolarHBondContact O-N 3.34Å; F28-R30 PolarHBondContact O-N 3.39Å; F28-D303 HydrophobicContact CB-CB 3.77Å; F28-D303 WeakPolarHBondContact CD1-OD2 3.29Å; F28-D303 HydrophobicContact CG-CB 4.38Å; F28-Y320 WeakPolarHBondContact CD2-OH 3.03Å; F28-Y320 VanDerWaalsContact CE2-OH 3.31Å; F28-Y320 WeakPolarHBondContact CE2-OH 3.46Å; F28-F321 HydrophobicContact CE2-CZ 4.03Å
29	C	44.6	Very low	44.4	Very low	48 Å²	48	85.3 Å²	85.3	32%	0.324	48%	0.479	S	S	.	.	S	Bend	trans	-85.3	76	-179.4	-103.9	0	0	0	0	113	C24 S25 K31	C24-C29 VanDerWaalsContact CA-SG 3.58Å; C24-C29 HydrophobicContact CB-CB 4.31Å; C24-C29 WeakPolarHBondContact CB-SG 2.8Å; C24-C29 WeakPolarHBondContact SG-CA 3.49Å; C24-C29 WeakPolarHBondContact SG-CB 3.48Å; C24-C29 CovalentContact SG-SG 2.03Å; C24-C29 PolarHBondContact SG-SG 3.31Å; S25-C29 WeakPolarHBondContact O-CB 3.18Å; S25-C29 PolarHBondContact O-N 3.21Å; C29-K31 PolarHBondContact O-N 2.86Å
30	R	57.4	Low	46	Very low	162 Å²	162	84.8 Å²	84.8	61%	0.611	48%	0.482	S	S	*	.			trans	25.8	91.6	141.2	-56.4	-176.8	-165.8	179.7	8.5	116.4	F28 D303	F28-R30 PolarHBondContact O-N 3.39Å; R30-D303 PolarHBondContact NH2-O 3.47Å
31	K	48	Very low	48.3	Very low	157 Å²	157	83.3 Å²	83.3	68%	0.683	46%	0.464	S	S	*	.			trans	-145.9	99	157.8	-67.5	-177.4	-172.4	161.3	0	109.9	C29 L33 D357	C29-K31 PolarHBondContact O-N 2.86Å; K31-L33 HydrophobicContact CB-CD2 4.25Å; K31-L33 HydrophobicContact CB-CG 4.34Å; K31-L33 PolarHBondContact O-N 3.28Å; K31-D357 PolarHBondContact N-OD2 3Å
32	S	49.6	Very low	51	Low	65 Å²	65	83.8 Å²	83.8	46%	0.455	45%	0.453	S	S	.	.			trans	-61.5	98.6	159.5	160.7	0	0	0	0	108.9	R34 D357	S32-R34 PolarHBondContact O-N 3.46Å; S32-D357 PolarHBondContact N-OD2 3.06Å
33	L	55.2	Low	53.2	Low	46 Å²	46	72.8 Å²	72.8	24%	0.241	41%	0.414	C	S	.	.	B	Isolated β-bridge	trans	-82.8	103	176.2	-65.5	174.5	0	0	0	108.9	K31 S336 T340	K31-L33 HydrophobicContact CB-CD2 4.25Å; K31-L33 HydrophobicContact CB-CG 4.34Å; K31-L33 PolarHBondContact O-N 3.28Å; L33-S336 WeakPolarHBondContact CD1-O 3.4Å; L33-T340 HydrophobicContact CB-CG2 3.83Å; L33-T340 HydrophobicContact CD1-CG2 4.38Å
34	R	53.5	Low	55.8	Low	196 Å²	196	71.9 Å²	71.9	74%	0.74	41%	0.411	S	S	*	.			trans	-77.4	149.5	165	-67.7	-173.6	179.4	-169.2	-1.1	108.8	S32 S36	S32-R34 PolarHBondContact O-N 3.46Å; R34-S36 PolarHBondContact O-N 3.23Å
35	V	51.8	Low	58.3	Low	32 Å²	32	74.1 Å²	74.1	19%	0.194	43%	0.432	C	S	.	.			trans	-46.1	115.4	170.5	-177.4	0	0	0	0	107.9	G37 R345 N352	V35-G37 PolarHBondContact O-N 3.41Å; V35-G37 VanDerWaalsContact O-N 3.15Å; V35-R345 VanDerWaalsContact CG2-NE 3.31Å; V35-N352 VanDerWaalsContact CG2-OD1 3.32Å; V35-N352 WeakPolarHBondContact CG2-OD1 3.41Å
36	S	47.3	Very low	60.8	Low	50 Å²	50	76 Å²	76	35%	0.35	44%	0.444	S	S	.	.			trans	-64.1	119.4	167.4	47.2	0	0	0	0	105.5	R34 L38	R34-S36 PolarHBondContact O-N 3.23Å; S36-L38 PolarHBondContact O-N 3.01Å
37	G	45.4	Very low	63.5	Low	77 Å²	77	75 Å²	75	79%	0.794	44%	0.435	S	S	*	.			trans	-69.1	38.3	180	0	0	0	0	0	112.9	V35 N39	V35-G37 PolarHBondContact O-N 3.41Å; V35-G37 VanDerWaalsContact O-N 3.15Å; G37-N39 PolarHBondContact O-N 3.01Å
38	L	46.1	Very low	66.1	Low	113 Å²	113	76.1 Å²	76.1	59%	0.592	44%	0.44	S	S	*	.			trans	-86.9	102.8	-176.3	-66.8	169.7	0	0	0	107.4	S36	S36-L38 PolarHBondContact O-N 3.01Å
39	N	53	Low	68.7	Low	145 Å²	145	74.9 Å²	74.9	78%	0.775	44%	0.435	S	S	*	.	S	Bend	trans	110.2	3.5	159.7	-49.1	-22.8	0	0	0	117.5	G37 V41	G37-N39 PolarHBondContact O-N 3.01Å; N39-V41 HydrophobicContact CB-CG2 4.42Å; N39-V41 PolarHBondContact O-N 2.78Å; N39-V41 VanDerWaalsContact O-N 3.16Å
40	G	59.8	Low	71.1	Confident	83 Å²	83	72.9 Å²	72.9	86%	0.856	42%	0.421	S	S	*	.			trans	65.8	17.5	173	0	0	0	0	0	115.1
41	V	75.1	Confident	73	Confident	61 Å²	61	67.8 Å²	67.8	37%	0.37	41%	0.409	S	S	.	.			trans	-80.9	127.2	174.4	-179.2	0	0	0	0	108.8	N39 P43 P342 D343	N39-V41 HydrophobicContact CB-CG2 4.42Å; N39-V41 PolarHBondContact O-N 2.78Å; N39-V41 VanDerWaalsContact O-N 3.16Å; V41-P43 WeakPolarHBondContact O-CD 3.42Å; V41-P342 HydrophobicContact CB-CB 3.86Å; V41-P342 HydrophobicContact CB-CG 4.41Å; V41-P342 HydrophobicContact CG1-CB 4.01Å; V41-P342 WeakPolarHBondContact O-CB 3.42Å; V41-D343 WeakPolarHBondContact CG1-OD1 3.41Å
42	D	87.5	Confident	75.4	Confident	105 Å²	105	63.6 Å²	63.6	56%	0.561	39%	0.39	S	S	*	.			trans	-67.6	117	178.3	174.4	19.4	0	0	0	110.7	G44	D42-G44 PolarHBondContact O-N 3.38Å; D42-G44 VanDerWaalsContact O-N 3.14Å; D42-G44 PolarHBondContact OD1-N 3.14Å
43	P	89.6	Confident	77.6	Confident	18 Å²	18	61.3 Å²	61.3	12%	0.117	37%	0.372	C	S	.	.			trans	-72.1	0.6	177.9	34.3	-37.8	0	0	0	112.8	V41 R345 K346 G351 N352	V41-P43 WeakPolarHBondContact O-CD 3.42Å; P43-R345 HydrophobicContact CB-CB 4.06Å; P43-K346 WeakPolarHBondContact O-CA 3.31Å; P43-K346 WeakPolarHBondContact O-CB 3.47Å; P43-K346 PolarHBondContact O-N 3.48Å; P43-G351 WeakPolarHBondContact O-CA 3.2Å; P43-N352 HydrophobicContact CG-CB 3.89Å
44	G	92.1	Very high	79.5	Confident	21 Å²	21	64.6 Å²	64.6	22%	0.216	39%	0.386	C	S	.	.			trans	79.5	-175.5	179.3	0	0	0	0	0	113.3	D42 G351	D42-G44 PolarHBondContact O-N 3.38Å; D42-G44 VanDerWaalsContact O-N 3.14Å; D42-G44 PolarHBondContact OD1-N 3.14Å; G44-G351 WeakPolarHBondContact O-CA 3.41Å
45	A	94.5	Very high	81.5	Confident	80 Å²	80	63.6 Å²	63.6	66%	0.661	39%	0.387	S	S	*	.			trans	-94	145.7	174.8	0	0	0	0	0	110.7
46	P	97.1	Very high	83.6	Confident	40 Å²	40	64.7 Å²	64.7	26%	0.26	41%	0.405	S	S	.	.			trans	-66.6	142.2	171.9	28.6	-34	0	0	0	111.4	F48 Y81 H349 L353	P46-F48 HydrophobicContact CB-CE2 4.09Å; P46-F48 HydrophobicContact CB-CZ 4.22Å; P46-F48 HydrophobicContact CG-CE2 3.76Å; P46-F48 HydrophobicContact CG-CZ 4.11Å; P46-Y81 HydrophobicContact CB-CD2 4.29Å; P46-Y81 HydrophobicContact CB-CE2 3.85Å; P46-H349 VanDerWaalsContact CA-O 3.28Å; P46-H349 WeakPolarHBondContact CA-O 3.3Å; P46-L353 HydrophobicContact CB-CD1 3.53Å; P46-L353 HydrophobicContact CB-CG 4.17Å; P46-L353 HydrophobicContact CG-CD1 3.93Å; P46-L353 HydrophobicContact CG-CG 4.2Å
47	L	98.3	Very high	86	Confident	18 Å²	18	63.6 Å²	63.6	9%	0.094	40%	0.399	C	S	.	.			trans	-98.2	107	177.6	178.6	67.6	0	0	0	111.6	V49 Y52 L64 S65 G80 Y81 H349	L47-V49 HydrophobicContact CD2-CG1 4.04Å; L47-V49 HydrophobicContact CG-CG1 4.06Å; L47-Y52 HydrophobicContact CD1-CE2 4.12Å; L47-L64 HydrophobicContact CD1-CB 3.99Å; L47-L64 HydrophobicContact CD1-CD1 4.26Å; L47-L64 VanDerWaalsContact CD2-C 3.46Å; L47-L64 HydrophobicContact CD2-CB 3.89Å; L47-L64 WeakPolarHBondContact CD2-O 3.22Å; L47-S65 VanDerWaalsContact CD2-CA 3.46Å; L47-G80 CarbonylContact O-C 3.47Å; L47-G80 WeakPolarHBondContact O-CA 3.44Å; L47-Y81 WeakPolarHBondContact O-CD2 3.34Å; L47-Y81 PolarHBondContact O-N 2.89Å; L47-H349 HydrophobicContact CB-CB 3.63Å; L47-H349 HydrophobicContact CD2-CB 4.49Å; L47-H349 PolarHBondContact N-O 3.36Å
48	F	98.1	Very high	88.4	Confident	56 Å²	56	62.5 Å²	62.5	25%	0.246	37%	0.374	C	S	.	.	B	Isolated β-bridge	trans	-88.7	115.6	167.3	-55.7	-82.4	0	0	0	109.4	P46 P51 Y52 Y81 N91 F166	P46-F48 HydrophobicContact CB-CE2 4.09Å; P46-F48 HydrophobicContact CB-CZ 4.22Å; P46-F48 HydrophobicContact CG-CE2 3.76Å; P46-F48 HydrophobicContact CG-CZ 4.11Å; F48-P51 HydrophobicContact CB-CG 4.4Å; F48-P51 WeakPolarHBondContact O-CD 3.42Å; F48-Y52 WeakPolarHBondContact O-CD2 3.4Å; F48-Y81 HydrophobicContact CD1-CD2 4.36Å; F48-Y81 HydrophobicContact CD1-CG 4.08Å; F48-Y81 HydrophobicContact CE1-CD2 4.23Å; F48-Y81 HydrophobicContact CE1-CG 4.03Å; F48-N91 WeakPolarHBondContact CD1-OD1 3.17Å; F48-N91 HydrophobicContact CE1-CB 4.27Å; F48-F166 HydrophobicContact CE1-CE1 4.01Å; F48-F166 AromaticContact CE1-CZ 3.8Å; F48-F166 HydrophobicContact CE1-CZ 3.8Å; F48-F166 HydrophobicContact CZ-CE1 4.25Å; F48-F166 AromaticContact CZ-CZ 3.87Å; F48-F166 HydrophobicContact CZ-CZ 3.87Å
49	V	97.6	Very high	90.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	38%	0.378	C	S	.	.			trans	-83.9	-25.7	-177.5	-62.6	0	0	0	0	112.3	L47 Y52 L53 Y81 F82 F94 L195	L47-V49 HydrophobicContact CD2-CG1 4.04Å; L47-V49 HydrophobicContact CG-CG1 4.06Å; V49-Y52 WeakPolarHBondContact O-CB 3.41Å; V49-Y52 PolarHBondContact O-N 3.22Å; V49-L53 HydrophobicContact CG2-CD1 4.45Å; V49-L53 PolarHBondContact O-N 3.37Å; V49-L53 VanDerWaalsContact O-N 3.13Å; V49-Y81 VanDerWaalsContact CG2-O 3.3Å; V49-Y81 WeakPolarHBondContact CG2-O 3.47Å; V49-Y81 PolarHBondContact N-O 3.22Å; V49-F82 HydrophobicContact CG2-CD1 3.41Å; V49-F82 VanDerWaalsContact CG2-CD1 3.41Å; V49-F82 HydrophobicContact CG2-CE1 3.37Å; V49-F82 HydrophobicContact CG2-CG 4.42Å; V49-F82 HydrophobicContact CG2-CZ 4.36Å; V49-F94 HydrophobicContact CG1-CE1 4.38Å; V49-F94 HydrophobicContact CG2-CE1 3.93Å; V49-L195 HydrophobicContact CG1-CD2 4.42Å; V49-L195 HydrophobicContact CG2-CD2 4.37Å
50	T	96.9	Very high	92.9	Very high	6 Å²	6	61.3 Å²	61.3	4%	0.037	37%	0.365	C	S	.	.	H	α-helix	trans	-52.1	-46.4	-178.3	-51.2	0	0	0	0	114.1	Y52 L53 E54 T83 Q191	T50-Y52 PolarHBondContact O-N 3.39Å; T50-L53 PolarHBondContact O-N 2.79Å; T50-L53 VanDerWaalsContact O-N 3.17Å; T50-E54 HydrophobicContact CG2-CG 4.32Å; T50-E54 WeakPolarHBondContact O-CG 3.28Å; T50-E54 PolarHBondContact O-N 3.41Å; T50-T83 PolarHBondContact OG1-N 3.38Å; T50-Q191 VanDerWaalsContact CB-OE1 3.24Å; T50-Q191 PolarHBondContact OG1-OE1 3.3Å
51	P	97.3	Very high	94.7	Very high	54 Å²	54	57.3 Å²	57.3	35%	0.351	32%	0.324	S	S	.	.	H	α-helix	trans	-62.4	-26.8	179.1	-23.9	36	0	0	0	114.4	F48 K55	F48-P51 HydrophobicContact CB-CG 4.4Å; F48-P51 WeakPolarHBondContact O-CD 3.42Å; P51-K55 WeakPolarHBondContact O-CD 3.47Å; P51-K55 WeakPolarHBondContact O-CG 3.27Å
52	Y	97.6	Very high	95.7	Very high	70 Å²	70	56.7 Å²	56.7	28%	0.275	32%	0.315	S	S	.	.	H	α-helix	trans	-77.7	-42.6	175.3	-64.7	-90.7	0	0	0	110.9	L47 F48 V49 T50 E54 K55 G56 A57 E60 A61 L64	L47-Y52 HydrophobicContact CD1-CE2 4.12Å; F48-Y52 WeakPolarHBondContact O-CD2 3.4Å; V49-Y52 WeakPolarHBondContact O-CB 3.41Å; V49-Y52 PolarHBondContact O-N 3.22Å; T50-Y52 PolarHBondContact O-N 3.39Å; Y52-E54 VanDerWaalsContact C-N 3.31Å; Y52-E54 PolarHBondContact O-N 3.14Å; Y52-K55 PolarHBondContact O-N 3.31Å; Y52-K55 VanDerWaalsContact O-N 3.15Å; Y52-G56 PolarHBondContact O-N 3.42Å; Y52-A57 HydrophobicContact CD1-CB 4.31Å; Y52-A57 PolarHBondContact O-N 3.07Å; Y52-E60 HydrophobicContact CD1-CG 4.21Å; Y52-E60 HydrophobicContact CE1-CG 4.15Å; Y52-A61 HydrophobicContact CG-CB 4.26Å; Y52-L64 HydrophobicContact CD1-CD1 4.48Å; Y52-L64 HydrophobicContact CE1-CD1 3.73Å; Y52-L64 HydrophobicContact CE2-CD1 4.13Å; Y52-L64 WeakPolarHBondContact OH-CD1 3.37Å
53	L	95.3	Very high	96.2	Very high	16 Å²	16	59.7 Å²	59.7	8%	0.084	32%	0.323	C	S	.	.	H	α-helix	trans	-59.3	-42.3	176	-63.1	179.5	0	0	0	111.5	V49 T50 K55 G56 I58 F82 Q191 Q194 L195	V49-L53 HydrophobicContact CG2-CD1 4.45Å; V49-L53 PolarHBondContact O-N 3.37Å; V49-L53 VanDerWaalsContact O-N 3.13Å; T50-L53 PolarHBondContact O-N 2.79Å; T50-L53 VanDerWaalsContact O-N 3.17Å; L53-K55 PolarHBondContact O-N 3.28Å; L53-G56 PolarHBondContact O-N 3.06Å; L53-I58 HydrophobicContact CD2-CG1 4.26Å; L53-F82 HydrophobicContact CD1-CE1 4.27Å; L53-Q191 HydrophobicContact CD1-CB 3.72Å; L53-Q191 HydrophobicContact CD1-CG 4.06Å; L53-Q194 HydrophobicContact CD2-CB 4.32Å; L53-L195 HydrophobicContact CD2-CB 4.1Å; L53-L195 HydrophobicContact CD2-CD1 4.11Å
54	E	95.1	Very high	96.6	Very high	116 Å²	116	62 Å²	62	54%	0.542	33%	0.334	S	S	.	.	H	α-helix	trans	-64.4	-27.4	177.9	-71.5	-179.2	165.7	0	0	113.7	T50 Y52 K86	T50-E54 HydrophobicContact CG2-CG 4.32Å; T50-E54 WeakPolarHBondContact O-CG 3.28Å; T50-E54 PolarHBondContact O-N 3.41Å; Y52-E54 VanDerWaalsContact C-N 3.31Å; Y52-E54 PolarHBondContact O-N 3.14Å; E54-K86 WeakPolarHBondContact OE1-CE 3.43Å; E54-K86 IonicContact OE1-NZ 3.3Å; E54-K86 PolarHBondContact OE1-NZ 3.18Å; E54-K86 IonicContact OE2-NZ 3.21Å; E54-K86 PolarHBondContact OE2-NZ 2.94Å
55	K	96.5	Very high	96.9	Very high	175 Å²	175	61 Å²	61	76%	0.761	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.8	175.7	-66.2	174	-173.3	175.5	0	113	P51 Y52 L53 A57	P51-K55 WeakPolarHBondContact O-CD 3.47Å; P51-K55 WeakPolarHBondContact O-CG 3.27Å; Y52-K55 PolarHBondContact O-N 3.31Å; Y52-K55 VanDerWaalsContact O-N 3.15Å; L53-K55 PolarHBondContact O-N 3.28Å; K55-A57 VanDerWaalsContact C-N 3.27Å; K55-A57 PolarHBondContact O-N 3.03Å
56	G	95.1	Very high	97.1	Very high	54 Å²	54	62.1 Å²	62.1	56%	0.557	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.3	13.1	-174.2	0	0	0	0	0	114.5	Y52 L53 I58	Y52-G56 PolarHBondContact O-N 3.42Å; L53-G56 PolarHBondContact O-N 3.06Å; G56-I58 PolarHBondContact O-N 3.43Å
57	A	97.1	Very high	97.2	Very high	27 Å²	27	61.1 Å²	61.1	22%	0.223	31%	0.31	C	S	.	.			trans	-83.7	54	-179.6	0	0	0	0	0	111.8	Y52 K55 E60 A61	Y52-A57 HydrophobicContact CD1-CB 4.31Å; Y52-A57 PolarHBondContact O-N 3.07Å; K55-A57 VanDerWaalsContact C-N 3.27Å; K55-A57 PolarHBondContact O-N 3.03Å; A57-E60 HydrophobicContact CB-CB 4.33Å; A57-E60 PolarHBondContact O-N 3.21Å; A57-A61 WeakPolarHBondContact O-CB 3.14Å; A57-A61 PolarHBondContact O-N 2.85Å
58	I	95.7	Very high	97.1	Very high	55 Å²	55	61.9 Å²	61.9	28%	0.282	32%	0.322	S	S	.	.	H	α-helix	trans	-64.5	-46.2	-170.6	-61.3	168.9	0	0	0	111.8	L53 G56 E60 A61 R62 Q194	L53-I58 HydrophobicContact CD2-CG1 4.26Å; G56-I58 PolarHBondContact O-N 3.43Å; I58-E60 VanDerWaalsContact C-N 3.3Å; I58-E60 PolarHBondContact O-N 3.41Å; I58-A61 WeakPolarHBondContact O-CB 3.23Å; I58-A61 PolarHBondContact O-N 3.19Å; I58-R62 WeakPolarHBondContact O-CB 3.38Å; I58-R62 PolarHBondContact O-N 3.43Å; I58-Q194 VanDerWaalsContact CG2-O 3.29Å; I58-Q194 WeakPolarHBondContact CG2-O 3.07Å
59	D	96.8	Very high	97	Very high	127 Å²	127	67.9 Å²	67.9	68%	0.679	35%	0.348	S	S	*	.	H	α-helix	trans	-64.2	-37.2	-178.9	-66.4	-28.7	0	0	0	112.1	K63	D59-K63 WeakPolarHBondContact O-CB 2.97Å; D59-K63 PolarHBondContact O-N 3.31Å
60	E	97.5	Very high	97	Very high	105 Å²	105	68.2 Å²	68.2	49%	0.491	35%	0.35	S	S	.	.	H	α-helix	trans	-66.8	-48.2	175.2	-175.6	175.2	-169.5	0	0	110.8	Y52 A57 I58 R62 K63 L64	Y52-E60 HydrophobicContact CD1-CG 4.21Å; Y52-E60 HydrophobicContact CE1-CG 4.15Å; A57-E60 HydrophobicContact CB-CB 4.33Å; A57-E60 PolarHBondContact O-N 3.21Å; I58-E60 VanDerWaalsContact C-N 3.3Å; I58-E60 PolarHBondContact O-N 3.41Å; E60-R62 VanDerWaalsContact C-N 3.28Å; E60-R62 PolarHBondContact O-N 2.7Å; E60-K63 PolarHBondContact O-N 3.06Å; E60-L64 HydrophobicContact CG-CD1 3.98Å; E60-L64 HydrophobicContact CG-CG 4.42Å; E60-L64 WeakPolarHBondContact O-CB 3.32Å; E60-L64 VanDerWaalsContact O-CG 3.32Å; E60-L64 WeakPolarHBondContact O-CG 3.15Å; E60-L64 PolarHBondContact O-N 3.1Å
61	A	97.5	Very high	96.9	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-55.4	-45.4	175.9	0	0	0	0	0	111.4	Y52 A57 I58 L64 S65 L195	Y52-A61 HydrophobicContact CG-CB 4.26Å; A57-A61 WeakPolarHBondContact O-CB 3.14Å; A57-A61 PolarHBondContact O-N 2.85Å; I58-A61 WeakPolarHBondContact O-CB 3.23Å; I58-A61 PolarHBondContact O-N 3.19Å; A61-L64 PolarHBondContact O-N 3.22Å; A61-S65 WeakPolarHBondContact O-CB 3.29Å; A61-S65 PolarHBondContact O-N 2.54Å; A61-S65 PolarHBondContact O-OG 3.39Å; A61-L195 HydrophobicContact CB-CD1 3.57Å
62	R	97	Very high	96.9	Very high	48 Å²	48	70.1 Å²	70.1	18%	0.181	37%	0.373	C	S	.	.	H	α-helix	trans	-63.9	-46.3	179.2	-169.2	-177.5	-58	171.1	7.2	111.5	I58 E60 L64 S65 M66 Y78 L195 F196 E198	I58-R62 WeakPolarHBondContact O-CB 3.38Å; I58-R62 PolarHBondContact O-N 3.43Å; E60-R62 VanDerWaalsContact C-N 3.28Å; E60-R62 PolarHBondContact O-N 2.7Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.75Å; R62-S65 WeakPolarHBondContact CA-OG 3.25Å; R62-S65 PolarHBondContact O-N 3.49Å; R62-S65 PolarHBondContact O-OG 3.24Å; R62-M66 PolarHBondContact O-N 3.19Å; R62-Y78 HydrophobicContact CG-CD1 4.39Å; R62-Y78 HydrophobicContact CG-CE1 4Å; R62-L195 HydrophobicContact CB-CD1 4.12Å; R62-L195 PolarHBondContact NE-O 2.98Å; R62-L195 PolarHBondContact NH2-O 3.32Å; R62-F196 HydrophobicContact CG-CD1 4.3Å; R62-F196 HydrophobicContact CG-CE1 3.76Å; R62-E198 IonicContact CZ-OE1 2.67Å; R62-E198 IonicContact CZ-OE2 3.29Å; R62-E198 VanDerWaalsContact CZ-OE2 3.24Å; R62-E198 IonicContact NE-OE1 3.82Å; R62-E198 VanDerWaalsContact NH1-CD 3.28Å; R62-E198 IonicContact NH1-OE1 2.71Å; R62-E198 PolarHBondContact NH1-OE1 2.92Å; R62-E198 IonicContact NH1-OE2 3.17Å; R62-E198 PolarHBondContact NH1-OE2 3.36Å; R62-E198 IonicContact NH2-OE1 3.61Å; R62-E198 IonicContact NH2-OE2 3.13Å; R62-E198 PolarHBondContact NH2-OE2 2.86Å
63	K	97.8	Very high	96.8	Very high	167 Å²	167	67.7 Å²	67.7	73%	0.726	37%	0.368	S	S	*	.	H	α-helix	trans	-60.4	-43.5	177.4	-177.1	-178.5	176.9	-175.9	0	111.8	D59 E60 M66	D59-K63 WeakPolarHBondContact O-CB 2.97Å; D59-K63 PolarHBondContact O-N 3.31Å; E60-K63 PolarHBondContact O-N 3.06Å; K63-M66 PolarHBondContact O-N 3.14Å
64	L	98	Very high	96.9	Very high	67 Å²	67	71 Å²	71	35%	0.351	39%	0.385	S	S	.	.	H	α-helix	trans	-67.3	-36.5	178.5	-70.1	173.1	0	0	0	112.1	L47 Y52 E60 A61 R62 M66 H349	L47-L64 HydrophobicContact CD1-CB 3.99Å; L47-L64 HydrophobicContact CD1-CD1 4.26Å; L47-L64 VanDerWaalsContact CD2-C 3.46Å; L47-L64 HydrophobicContact CD2-CB 3.89Å; L47-L64 WeakPolarHBondContact CD2-O 3.22Å; Y52-L64 HydrophobicContact CD1-CD1 4.48Å; Y52-L64 HydrophobicContact CE1-CD1 3.73Å; Y52-L64 HydrophobicContact CE2-CD1 4.13Å; Y52-L64 WeakPolarHBondContact OH-CD1 3.37Å; E60-L64 HydrophobicContact CG-CD1 3.98Å; E60-L64 HydrophobicContact CG-CG 4.42Å; E60-L64 WeakPolarHBondContact O-CB 3.32Å; E60-L64 VanDerWaalsContact O-CG 3.32Å; E60-L64 WeakPolarHBondContact O-CG 3.15Å; E60-L64 PolarHBondContact O-N 3.1Å; A61-L64 PolarHBondContact O-N 3.22Å; R62-L64 VanDerWaalsContact C-N 3.34Å; R62-L64 PolarHBondContact O-N 2.75Å; L64-M66 PolarHBondContact O-N 2.98Å; L64-H349 PolarHBondContact O-CE1 3.28Å; L64-H349 PolarHBondContact O-NE2 2.93Å
65	S	98.3	Very high	96.9	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-70.9	-13.6	-179.5	67.6	0	0	0	0	114.5	L47 A61 R62 V67 Y78 S79	L47-S65 VanDerWaalsContact CD2-CA 3.46Å; A61-S65 WeakPolarHBondContact O-CB 3.29Å; A61-S65 PolarHBondContact O-N 2.54Å; A61-S65 PolarHBondContact O-OG 3.39Å; R62-S65 WeakPolarHBondContact CA-OG 3.25Å; R62-S65 PolarHBondContact O-N 3.49Å; R62-S65 PolarHBondContact O-OG 3.24Å; S65-V67 PolarHBondContact O-N 3.36Å; S65-Y78 CarbonylContact O-C 3.6Å; S65-Y78 WeakPolarHBondContact O-CA 3.48Å; S65-Y78 WeakPolarHBondContact OG-CD1 3.19Å; S65-S79 WeakPolarHBondContact CA-O 3.49Å; S65-S79 WeakPolarHBondContact CB-O 3.28Å; S65-S79 PolarHBondContact O-N 3.3Å
66	M	98.5	Very high	96.9	Very high	103 Å²	103	64.4 Å²	64.4	51%	0.507	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-60.9	124.8	-178.7	-173.5	173.7	63.4	0	0	110.8	R62 K63 L64 Y78 H349	R62-M66 PolarHBondContact O-N 3.19Å; K63-M66 PolarHBondContact O-N 3.14Å; L64-M66 PolarHBondContact O-N 2.98Å; M66-Y78 HydrophobicContact CB-CD1 4.07Å; M66-Y78 HydrophobicContact CB-CE1 4Å; M66-Y78 HydrophobicContact CG-CE1 4.32Å; M66-H349 PolarHBondContact O-NE2 2.86Å
67	V	98.2	Very high	97	Very high	20 Å²	20	61.9 Å²	61.9	12%	0.121	33%	0.331	C	S	.	.			trans	-69.3	137.1	-176.1	172.5	0	0	0	0	111	S65 S77 S79 W95 A347 I348	S65-V67 PolarHBondContact O-N 3.36Å; V67-S77 WeakPolarHBondContact CB-OG 3.22Å; V67-S77 PolarHBondContact N-O 2.94Å; V67-S79 WeakPolarHBondContact CG2-OG 3.39Å; V67-W95 HydrophobicContact CG1-CZ2 4.04Å; V67-W95 HydrophobicContact CG2-CZ2 4.45Å; V67-A347 WeakPolarHBondContact CA-O 3.48Å; V67-A347 WeakPolarHBondContact CG1-O 3.34Å; V67-I348 HydrophobicContact CG1-CG2 4.09Å
68	G	97.2	Very high	97.1	Very high	34 Å²	34	61.9 Å²	61.9	35%	0.351	33%	0.325	S	S	.	.			trans	-73.3	-167.6	177.5	0	0	0	0	0	113.5	A347	G68-A347 PolarHBondContact N-O 3.15Å
69	K	96.5	Very high	97.3	Very high	181 Å²	181	59.2 Å²	59.2	79%	0.787	31%	0.312	S	S	*	.			trans	-76.2	128.8	178.7	-68.7	-175	179.9	-178.7	0	111.3	N74	K69-N74 WeakPolarHBondContact CA-OD1 3.34Å
70	L	96.9	Very high	97.3	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.037	28%	0.279	C	S	.	.			trans	-93.2	152.7	168.6	-62.8	178.6	0	0	0	111	G72 N74 W95 Y132 V140 F338 V344 A347 I348	L70-G72 PolarHBondContact O-N 3.25Å; L70-N74 PolarHBondContact N-OD1 3.36Å; L70-W95 HydrophobicContact CD1-CH2 4.05Å; L70-W95 HydrophobicContact CD1-CZ2 4.08Å; L70-Y132 HydrophobicContact CD1-CD2 4.5Å; L70-Y132 HydrophobicContact CD1-CE2 3.81Å; L70-V140 HydrophobicContact CB-CG2 4.08Å; L70-V140 HydrophobicContact CD1-CG2 4.49Å; L70-F338 HydrophobicContact CB-CZ 4.46Å; L70-F338 HydrophobicContact CD2-CZ 4.38Å; L70-V344 HydrophobicContact CD2-CB 4.46Å; L70-V344 HydrophobicContact CD2-CG1 4.04Å; L70-V344 HydrophobicContact CD2-CG2 4.36Å; L70-A347 HydrophobicContact CD2-CB 3.95Å; L70-I348 HydrophobicContact CD2-CG2 4.16Å
71	P	95.8	Very high	97.4	Very high	39 Å²	39	48.2 Å²	48.2	25%	0.253	26%	0.256	S	S	.	.	S	Bend	trans	-63.2	113.9	173.5	-20.1	31.9	0	0	0	111.5	T139 V140 F338 V344	P71-T139 HydrophobicContact CB-CG2 4.15Å; P71-T139 CarbonylContact O-C 3.59Å; P71-T139 WeakPolarHBondContact O-CA 3.46Å; P71-T139 WeakPolarHBondContact O-CB 3.36Å; P71-V140 WeakPolarHBondContact O-CG2 3.46Å; P71-V140 PolarHBondContact O-N 2.9Å; P71-F338 HydrophobicContact CB-CE2 4.47Å; P71-F338 HydrophobicContact CG-CE2 4.14Å; P71-V344 HydrophobicContact CG-CG2 4.09Å
72	G	96.6	Very high	97.4	Very high	61 Å²	61	48.2 Å²	48.2	63%	0.629	26%	0.256	S	S	*	.	B	Isolated β-bridge	trans	106.7	-105.4	-179.7	0	0	0	0	0	112.6	L70 V140	L70-G72 PolarHBondContact O-N 3.25Å; G72-V140 CarbonylContact C-O 3.52Å; G72-V140 WeakPolarHBondContact CA-O 3.39Å
73	A	96.1	Very high	97.4	Very high	19 Å²	19	46.9 Å²	46.9	16%	0.157	25%	0.253	C	S	.	.			trans	-93.6	156.2	-179.5	0	0	0	0	0	113.2	Y132 V140 L142	A73-Y132 HydrophobicContact CB-CD1 4.48Å; A73-Y132 HydrophobicContact CB-CE1 4.34Å; A73-V140 HydrophobicContact CB-CG2 4.43Å; A73-V140 WeakPolarHBondContact CB-O 3.16Å; A73-V140 PolarHBondContact N-O 3.44Å; A73-L142 HydrophobicContact CB-CD2 3.83Å; A73-L142 HydrophobicContact CB-CG 3.97Å
74	N	95.8	Very high	97.3	Very high	85 Å²	85	39.8 Å²	39.8	46%	0.455	22%	0.224	S	C	.	.			trans	-137.2	125.9	-179.3	-70.5	-81.5	0	0	0	110.8	K69 L70	K69-N74 WeakPolarHBondContact CA-OD1 3.34Å; L70-N74 PolarHBondContact N-OD1 3.36Å
75	V	96.1	Very high	97.2	Very high	23 Å²	23	38.7 Å²	38.7	14%	0.139	22%	0.218	C	C	.	.			trans	-123.4	132.8	175.4	176.7	0	0	0	0	108.5	S77 F97 Q100 P131 Y132 L142	V75-S77 PolarHBondContact O-N 2.84Å; V75-S77 VanDerWaalsContact O-N 3.14Å; V75-S77 PolarHBondContact O-OG 3.17Å; V75-F97 HydrophobicContact CB-CE1 4.45Å; V75-F97 HydrophobicContact CG1-CD1 3.95Å; V75-F97 HydrophobicContact CG1-CE1 4.38Å; V75-Q100 HydrophobicContact CG1-CG 4.38Å; V75-P131 HydrophobicContact CB-CB 4.46Å; V75-P131 HydrophobicContact CG1-CB 4.41Å; V75-P131 HydrophobicContact CG1-CG 4.45Å; V75-P131 HydrophobicContact CG2-CB 3.99Å; V75-Y132 HydrophobicContact CB-CE1 4.18Å; V75-Y132 WeakPolarHBondContact CB-OH 3.49Å; V75-Y132 HydrophobicContact CG2-CE1 3.8Å; V75-Y132 PolarHBondContact N-OH 3.45Å; V75-Y132 PolarHBondContact O-OH 3.19Å; V75-L142 HydrophobicContact CG2-CD2 3.66Å
76	K	96.1	Very high	97	Very high	131 Å²	131	44.9 Å²	44.9	57%	0.57	25%	0.245	S	C	*	.			trans	-54.5	121	176.8	-178.9	-175.8	175.9	-170.7	0	109.2	Y78	K76-Y78 WeakPolarHBondContact CE-OH 3.42Å; K76-Y78 HydrophobicContact CG-CE2 4.5Å
77	S	98.1	Very high	96.9	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.007	26%	0.258	C	S	.	.			trans	-157.3	169	-178.2	55.2	0	0	0	0	110.7	V67 V75 W95 F96 F97	V67-S77 WeakPolarHBondContact CB-OG 3.22Å; V67-S77 PolarHBondContact N-O 2.94Å; V75-S77 PolarHBondContact O-N 2.84Å; V75-S77 VanDerWaalsContact O-N 3.14Å; V75-S77 PolarHBondContact O-OG 3.17Å; S77-W95 VanDerWaalsContact CB-NE1 3.31Å; S77-W95 PolarHBondContact OG-NE1 2.83Å; S77-F96 CarbonylContact C-O 3.48Å; S77-F96 WeakPolarHBondContact CA-O 3.22Å; S77-F96 VanDerWaalsContact CB-O 3.22Å; S77-F96 WeakPolarHBondContact CB-O 3.47Å; S77-F97 VanDerWaalsContact CB-CE1 3.46Å
78	Y	98.8	Very high	96.7	Very high	26 Å²	26	48.7 Å²	48.7	10%	0.102	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.3	-176.5	-57	-92.8	0	0	0	110.1	R62 S65 M66 K76 W95 F96 P98 F196	R62-Y78 HydrophobicContact CG-CD1 4.39Å; R62-Y78 HydrophobicContact CG-CE1 4Å; S65-Y78 CarbonylContact O-C 3.6Å; S65-Y78 WeakPolarHBondContact O-CA 3.48Å; S65-Y78 WeakPolarHBondContact OG-CD1 3.19Å; M66-Y78 HydrophobicContact CB-CD1 4.07Å; M66-Y78 HydrophobicContact CB-CE1 4Å; M66-Y78 HydrophobicContact CG-CE1 4.32Å; K76-Y78 WeakPolarHBondContact CE-OH 3.42Å; K76-Y78 HydrophobicContact CG-CE2 4.5Å; Y78-W95 CarbonylContact O-C 3.5Å; Y78-W95 WeakPolarHBondContact O-CA 3.41Å; Y78-F96 HydrophobicContact CD2-CD1 4.06Å; Y78-F96 PolarHBondContact N-O 2.76Å; Y78-F96 PolarHBondContact O-N 3.02Å; Y78-P98 HydrophobicContact CD2-CG 4.3Å; Y78-P98 HydrophobicContact CE2-CG 3.89Å; Y78-F196 HydrophobicContact CD1-CE1 4.13Å; Y78-F196 HydrophobicContact CD1-CZ 4.11Å; Y78-F196 AromaticContact CD2-CE1 3.91Å; Y78-F196 HydrophobicContact CD2-CE1 3.91Å; Y78-F196 AromaticContact CD2-CZ 3.97Å; Y78-F196 HydrophobicContact CD2-CZ 3.97Å; Y78-F196 HydrophobicContact CE1-CE1 4.38Å; Y78-F196 HydrophobicContact CE2-CE1 4.18Å; Y78-F196 AromaticContact CG-CE1 3.89Å; Y78-F196 HydrophobicContact CG-CE1 3.89Å; Y78-F196 AromaticContact CG-CZ 3.65Å; Y78-F196 HydrophobicContact CG-CZ 3.65Å
79	S	98.8	Very high	96.7	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	162.9	178.2	65.8	0	0	0	0	112.4	S65 V67 F94 I348	S65-S79 WeakPolarHBondContact CA-O 3.49Å; S65-S79 WeakPolarHBondContact CB-O 3.28Å; S65-S79 PolarHBondContact O-N 3.3Å; V67-S79 WeakPolarHBondContact CG2-OG 3.39Å; S79-F94 WeakPolarHBondContact CA-O 3.34Å; S79-F94 VanDerWaalsContact CB-O 3.3Å; S79-F94 WeakPolarHBondContact CB-O 3.45Å; S79-I348 WeakPolarHBondContact OG-CA 3.18Å; S79-I348 PolarHBondContact OG-O 2.92Å
80	G	98.4	Very high	96.8	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	160.4	-162.1	178.1	0	0	0	0	0	111.2	L47 F93 F94	L47-G80 CarbonylContact O-C 3.47Å; L47-G80 WeakPolarHBondContact O-CA 3.44Å; G80-F93 WeakPolarHBondContact O-CA 3.42Å; G80-F93 WeakPolarHBondContact O-CD2 3.27Å; G80-F94 VanDerWaalsContact C-CE1 3.47Å; G80-F94 PolarHBondContact N-O 3.44Å; G80-F94 WeakPolarHBondContact O-CD1 3.33Å; G80-F94 PolarHBondContact O-N 3.37Å
81	Y	98.6	Very high	96.8	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	129.1	-176.4	-67.1	-85.1	0	0	0	112.9	P46 L47 F48 V49 N91 L92 F93 F164 F166 V350 L353	P46-Y81 HydrophobicContact CB-CD2 4.29Å; P46-Y81 HydrophobicContact CB-CE2 3.85Å; L47-Y81 WeakPolarHBondContact O-CD2 3.34Å; L47-Y81 PolarHBondContact O-N 2.89Å; F48-Y81 HydrophobicContact CD1-CD2 4.36Å; F48-Y81 HydrophobicContact CD1-CG 4.08Å; F48-Y81 HydrophobicContact CE1-CD2 4.23Å; F48-Y81 HydrophobicContact CE1-CG 4.03Å; V49-Y81 VanDerWaalsContact CG2-O 3.3Å; V49-Y81 WeakPolarHBondContact CG2-O 3.47Å; V49-Y81 PolarHBondContact N-O 3.22Å; Y81-N91 HydrophobicContact CD1-CB 4.08Å; Y81-L92 WeakPolarHBondContact CA-O 3.35Å; Y81-F93 HydrophobicContact CD1-CB 4.04Å; Y81-F93 HydrophobicContact CD1-CD2 4.45Å; Y81-F93 HydrophobicContact CE1-CB 3.7Å; Y81-F93 HydrophobicContact CE1-CD2 4.04Å; Y81-F93 HydrophobicContact CE1-CG 4.32Å; Y81-F93 HydrophobicContact CE2-CD2 4.27Å; Y81-F93 AromaticContact CZ-CD2 3.94Å; Y81-F164 HydrophobicContact CE1-CB 4.37Å; Y81-F164 VanDerWaalsContact CE1-O 3.25Å; Y81-F164 WeakPolarHBondContact CE1-O 3.26Å; Y81-F164 PolarHBondContact OH-O 2.87Å; Y81-F166 HydrophobicContact CD1-CE1 4.29Å; Y81-F166 HydrophobicContact CE1-CD1 4.24Å; Y81-F166 HydrophobicContact CE1-CE1 4.09Å; Y81-V350 HydrophobicContact CE2-CG1 4.39Å; Y81-L353 HydrophobicContact CE1-CD1 4.26Å; Y81-L353 HydrophobicContact CE2-CD1 3.8Å; Y81-L353 VanDerWaalsContact OH-CD1 3.31Å; Y81-L353 WeakPolarHBondContact OH-CD1 3.46Å
82	F	98.1	Very high	96.9	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.1	163	-63.5	-55.5	0	0	0	109.5	V49 L53 V84 N91 L92 F94 A188 Q191 F192 L195	V49-F82 HydrophobicContact CG2-CD1 3.41Å; V49-F82 VanDerWaalsContact CG2-CD1 3.41Å; V49-F82 HydrophobicContact CG2-CE1 3.37Å; V49-F82 HydrophobicContact CG2-CG 4.42Å; V49-F82 HydrophobicContact CG2-CZ 4.36Å; L53-F82 HydrophobicContact CD1-CE1 4.27Å; F82-V84 PolarHBondContact O-N 2.89Å; F82-N91 CarbonylContact O-C 3.56Å; F82-N91 WeakPolarHBondContact O-CA 3.4Å; F82-L92 PolarHBondContact N-O 3.22Å; F82-L92 PolarHBondContact O-N 3.47Å; F82-F94 HydrophobicContact CD1-CE1 4.41Å; F82-F94 HydrophobicContact CD2-CB 4.21Å; F82-F94 AromaticContact CD2-CD1 3.52Å; F82-F94 HydrophobicContact CD2-CD1 3.52Å; F82-F94 HydrophobicContact CD2-CE1 4.18Å; F82-F94 HydrophobicContact CD2-CG 4.05Å; F82-F94 HydrophobicContact CE1-CD1 4.28Å; F82-F94 AromaticContact CE1-CE1 3.97Å; F82-F94 HydrophobicContact CE1-CE1 3.97Å; F82-F94 HydrophobicContact CE2-CB 3.91Å; F82-F94 AromaticContact CE2-CD1 3.22Å; F82-F94 HydrophobicContact CE2-CD1 3.22Å; F82-F94 HydrophobicContact CE2-CD2 4.16Å; F82-F94 AromaticContact CE2-CE1 3.72Å; F82-F94 HydrophobicContact CE2-CE1 3.72Å; F82-F94 AromaticContact CE2-CG 3.48Å; F82-F94 HydrophobicContact CE2-CG 3.48Å; F82-F94 VanDerWaalsContact CE2-CG 3.48Å; F82-F94 HydrophobicContact CE2-CZ 4.37Å; F82-F94 HydrophobicContact CG-CD1 4.16Å; F82-F94 HydrophobicContact CG-CE1 4.5Å; F82-F94 AromaticContact CZ-CD1 3.64Å; F82-F94 HydrophobicContact CZ-CD1 3.64Å; F82-F94 HydrophobicContact CZ-CD2 4.44Å; F82-F94 AromaticContact CZ-CE1 3.59Å; F82-F94 HydrophobicContact CZ-CE1 3.59Å; F82-F94 HydrophobicContact CZ-CE2 4.41Å; F82-F94 HydrophobicContact CZ-CG 4.08Å; F82-F94 HydrophobicContact CZ-CZ 4Å; F82-A188 HydrophobicContact CD2-CB 4.23Å; F82-Q191 HydrophobicContact CD1-CB 3.4Å; F82-Q191 HydrophobicContact CD1-CG 4.29Å; F82-Q191 HydrophobicContact CE1-CB 3.56Å; F82-Q191 HydrophobicContact CG-CB 4.13Å; F82-Q191 HydrophobicContact CZ-CB 4.39Å; F82-F192 HydrophobicContact CE2-CB 4.15Å; F82-F192 HydrophobicContact CZ-CB 3.98Å; F82-L195 HydrophobicContact CE1-CD2 4.35Å; F82-L195 HydrophobicContact CZ-CD2 4.35Å
83	T	97.6	Very high	97	Very high	21 Å²	21	36.3 Å²	36.3	13%	0.129	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	118.4	169.2	-51.4	0	0	0	0	108.9	T50 K86 N91 Q191	T50-T83 PolarHBondContact OG1-N 3.38Å; T83-K86 HydrophobicContact CG2-CG 3.93Å; T83-N91 WeakPolarHBondContact CA-OD1 3.42Å; T83-N91 VanDerWaalsContact CB-OD1 3.31Å; T83-N91 WeakPolarHBondContact CB-OD1 3.42Å; T83-N91 PolarHBondContact OG1-OD1 3.44Å; T83-Q191 PolarHBondContact O-NE2 2.62Å; T83-Q191 VanDerWaalsContact O-NE2 3.09Å
84	V	95.8	Very high	97.2	Very high	17 Å²	17	35.4 Å²	35.4	10%	0.103	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-25.5	-178.7	-59.2	0	0	0	0	112.9	F82 S90 L92 V160 D183 S187	F82-V84 PolarHBondContact O-N 2.89Å; V84-S90 WeakPolarHBondContact CG2-O 3.33Å; V84-S90 PolarHBondContact N-O 2.83Å; V84-L92 HydrophobicContact CG1-CB 4.25Å; V84-L92 HydrophobicContact CG1-CD1 3.66Å; V84-L92 HydrophobicContact CG1-CG 3.71Å; V84-L92 HydrophobicContact CG2-CG 4.3Å; V84-V160 HydrophobicContact CG2-CG2 3.67Å; V84-D183 HydrophobicContact CB-CB 4.4Å; V84-D183 HydrophobicContact CG2-CB 4.48Å; V84-S187 PolarHBondContact O-OG 2.88Å
85	N	95.1	Very high	97.3	Very high	45 Å²	45	31.4 Å²	31.4	24%	0.241	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	109.5	173.3	-172.2	-24.4	0	0	0	111.1	N87 Y88 N89 S90	N85-N87 VanDerWaalsContact C-N 3.33Å; N85-N87 PolarHBondContact O-N 2.94Å; N85-N87 WeakPolarHBondContact OD1-CB 3.34Å; N85-N87 PolarHBondContact OD1-N 2.96Å; N85-Y88 WeakPolarHBondContact ND2-CD2 3Å; N85-Y88 WeakPolarHBondContact ND2-CE2 3.49Å; N85-N89 PolarHBondContact O-N 3.17Å; N85-N89 VanDerWaalsContact O-N 3.16Å; N85-S90 PolarHBondContact N-O 3.05Å; N85-S90 PolarHBondContact O-N 2.96Å
86	K	94.4	Very high	97.4	Very high	130 Å²	130	30.3 Å²	30.3	57%	0.565	15%	0.145	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-28.4	-179.4	-66.4	-175.3	177	-173.1	0	113.8	E54 T83 Y88 N89	E54-K86 WeakPolarHBondContact OE1-CE 3.43Å; E54-K86 IonicContact OE1-NZ 3.3Å; E54-K86 PolarHBondContact OE1-NZ 3.18Å; E54-K86 IonicContact OE2-NZ 3.21Å; E54-K86 PolarHBondContact OE2-NZ 2.94Å; T83-K86 HydrophobicContact CG2-CG 3.93Å; K86-Y88 VanDerWaalsContact C-N 3.25Å; K86-Y88 PolarHBondContact O-N 3.11Å; K86-N89 PolarHBondContact O-N 3.11Å
87	N	95.4	Very high	97.5	Very high	144 Å²	144	24 Å²	24	77%	0.77	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69	-29.6	-176.2	-65.5	-20.6	0	0	0	112	N85	N85-N87 VanDerWaalsContact C-N 3.33Å; N85-N87 PolarHBondContact O-N 2.94Å; N85-N87 WeakPolarHBondContact OD1-CB 3.34Å; N85-N87 PolarHBondContact OD1-N 2.96Å
88	Y	95.6	Very high	97.4	Very high	58 Å²	58	24.5 Å²	24.5	23%	0.227	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	6	-178.1	-56.1	-38.5	0	0	0	112.6	N85 K86 S90 T167 D168 D169 R171	N85-Y88 WeakPolarHBondContact ND2-CD2 3Å; N85-Y88 WeakPolarHBondContact ND2-CE2 3.49Å; K86-Y88 VanDerWaalsContact C-N 3.25Å; K86-Y88 PolarHBondContact O-N 3.11Å; Y88-S90 WeakPolarHBondContact CB-OG 3.32Å; Y88-S90 PolarHBondContact O-N 3.21Å; Y88-T167 PolarHBondContact O-OG1 2.87Å; Y88-T167 VanDerWaalsContact O-OG1 3.07Å; Y88-D168 PolarHBondContact O-N 3.24Å; Y88-D169 HydrophobicContact CD1-CB 3.75Å; Y88-D169 HydrophobicContact CG-CB 4.03Å; Y88-R171 HydrophobicContact CD1-CB 4.47Å; Y88-R171 HydrophobicContact CD2-CB 4.3Å; Y88-R171 HydrophobicContact CE1-CB 4Å; Y88-R171 HydrophobicContact CE2-CB 3.8Å; Y88-R171 WeakPolarHBondContact CE2-O 3.45Å
89	N	96.4	Very high	97.3	Very high	61 Å²	61	23.5 Å²	23.5	33%	0.326	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	43.2	-170.7	-167.9	28.1	0	0	0	112.5	N85 K86 N91 D168	N85-N89 PolarHBondContact O-N 3.17Å; N85-N89 VanDerWaalsContact O-N 3.16Å; K86-N89 PolarHBondContact O-N 3.11Å; N89-N91 PolarHBondContact O-ND2 3.33Å; N89-N91 PolarHBondContact OD1-ND2 2.86Å; N89-D168 HydrophobicContact CB-CB 4.26Å; N89-D168 WeakPolarHBondContact CB-OD2 3.42Å; N89-D168 PolarHBondContact ND2-OD2 3.17Å
90	S	97.4	Very high	96.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	124.9	179.8	-44.6	0	0	0	0	110.1	V84 N85 Y88 F166 T167	V84-S90 WeakPolarHBondContact CG2-O 3.33Å; V84-S90 PolarHBondContact N-O 2.83Å; N85-S90 PolarHBondContact N-O 3.05Å; N85-S90 PolarHBondContact O-N 2.96Å; Y88-S90 WeakPolarHBondContact CB-OG 3.32Å; Y88-S90 PolarHBondContact O-N 3.21Å; S90-F166 CarbonylContact C-O 3.59Å; S90-F166 WeakPolarHBondContact CA-O 3.43Å; S90-T167 PolarHBondContact OG-OG1 2.86Å
91	N	98	Very high	96.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	134.1	-173.8	-64.6	-82.4	0	0	0	110.6	F48 Y81 F82 T83 N89 S165 F166	F48-N91 WeakPolarHBondContact CD1-OD1 3.17Å; F48-N91 HydrophobicContact CE1-CB 4.27Å; Y81-N91 HydrophobicContact CD1-CB 4.08Å; F82-N91 CarbonylContact O-C 3.56Å; F82-N91 WeakPolarHBondContact O-CA 3.4Å; T83-N91 WeakPolarHBondContact CA-OD1 3.42Å; T83-N91 VanDerWaalsContact CB-OD1 3.31Å; T83-N91 WeakPolarHBondContact CB-OD1 3.42Å; T83-N91 PolarHBondContact OG1-OD1 3.44Å; N89-N91 PolarHBondContact O-ND2 3.33Å; N89-N91 PolarHBondContact OD1-ND2 2.86Å; N91-S165 WeakPolarHBondContact O-CA 3.17Å; N91-S165 WeakPolarHBondContact O-CB 3.48Å; N91-F166 HydrophobicContact CB-CD1 4.35Å; N91-F166 HydrophobicContact CB-CE1 3.91Å; N91-F166 HydrophobicContact CB-CZ 4.18Å; N91-F166 PolarHBondContact N-O 3.19Å; N91-F166 WeakPolarHBondContact ND2-CZ 3.39Å; N91-F166 PolarHBondContact O-N 3.2Å
92	L	98.5	Very high	93.7	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	127.2	172	-66.2	179.8	0	0	0	110.1	Y81 F82 V84 I156 D157 V160 S165 L184 A188	Y81-L92 WeakPolarHBondContact CA-O 3.35Å; F82-L92 PolarHBondContact N-O 3.22Å; F82-L92 PolarHBondContact O-N 3.47Å; V84-L92 HydrophobicContact CG1-CB 4.25Å; V84-L92 HydrophobicContact CG1-CD1 3.66Å; V84-L92 HydrophobicContact CG1-CG 3.71Å; V84-L92 HydrophobicContact CG2-CG 4.3Å; L92-I156 HydrophobicContact CB-CG2 4.21Å; L92-I156 HydrophobicContact CD1-CG2 4.27Å; L92-D157 WeakPolarHBondContact CD2-O 3.38Å; L92-V160 HydrophobicContact CD2-CB 4.39Å; L92-V160 HydrophobicContact CD2-CG2 3.64Å; L92-V160 HydrophobicContact CG-CG2 4.19Å; L92-S165 WeakPolarHBondContact CA-OG 3.49Å; L92-L184 HydrophobicContact CD1-CD2 4.32Å; L92-A188 HydrophobicContact CD1-CB 4.1Å
93	F	98.7	Very high	91.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	135.1	170.2	178.9	-107.1	0	0	0	110.3	G80 Y81 W95 M122 D157 F164 S165 I348 V350	G80-F93 WeakPolarHBondContact O-CA 3.42Å; G80-F93 WeakPolarHBondContact O-CD2 3.27Å; Y81-F93 HydrophobicContact CD1-CB 4.04Å; Y81-F93 HydrophobicContact CD1-CD2 4.45Å; Y81-F93 HydrophobicContact CE1-CB 3.7Å; Y81-F93 HydrophobicContact CE1-CD2 4.04Å; Y81-F93 HydrophobicContact CE1-CG 4.32Å; Y81-F93 HydrophobicContact CE2-CD2 4.27Å; Y81-F93 AromaticContact CZ-CD2 3.94Å; F93-W95 HydrophobicContact CE1-CB 4.23Å; F93-W95 HydrophobicContact CE1-CE3 4.32Å; F93-W95 HydrophobicContact CZ-CB 4.43Å; F93-W95 HydrophobicContact CZ-CE3 4.31Å; F93-M122 HydrophobicContact CD1-CE 4.39Å; F93-M122 HydrophobicContact CE1-CE 4.08Å; F93-M122 HydrophobicContact CE1-SD 3.83Å; F93-D157 HydrophobicContact CB-CB 4.34Å; F93-D157 PolarHBondContact O-N 3.23Å; F93-F164 HydrophobicContact CB-CB 3.58Å; F93-F164 HydrophobicContact CD1-CB 3.87Å; F93-F164 AromaticContact CD1-CD2 3.86Å; F93-F164 HydrophobicContact CD1-CD2 3.86Å; F93-F164 HydrophobicContact CD1-CG 4.33Å; F93-F164 HydrophobicContact CD2-CB 4.11Å; F93-F164 AromaticContact CE1-CD2 3.84Å; F93-F164 HydrophobicContact CE1-CD2 3.84Å; F93-F164 HydrophobicContact CG-CB 3.58Å; F93-F164 HydrophobicContact CG-CD2 4.31Å; F93-F164 HydrophobicContact CG-CG 4.35Å; F93-F164 HydrophobicContact CZ-CD2 4.27Å; F93-S165 PolarHBondContact N-OG 2.94Å; F93-I348 HydrophobicContact CZ-CD1 4.37Å; F93-V350 HydrophobicContact CD2-CG1 3.71Å; F93-V350 HydrophobicContact CE2-CG1 3.29Å; F93-V350 HydrophobicContact CZ-CG1 3.82Å
94	F	98.7	Very high	90.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	151.8	173.1	77.8	-86.3	0	0	0	111.2	V49 S79 G80 F82 F96 L154 Y155 I156 L195 F196	V49-F94 HydrophobicContact CG1-CE1 4.38Å; V49-F94 HydrophobicContact CG2-CE1 3.93Å; S79-F94 WeakPolarHBondContact CA-O 3.34Å; S79-F94 VanDerWaalsContact CB-O 3.3Å; S79-F94 WeakPolarHBondContact CB-O 3.45Å; G80-F94 VanDerWaalsContact C-CE1 3.47Å; G80-F94 PolarHBondContact N-O 3.44Å; G80-F94 WeakPolarHBondContact O-CD1 3.33Å; G80-F94 PolarHBondContact O-N 3.37Å; F82-F94 HydrophobicContact CD1-CE1 4.41Å; F82-F94 HydrophobicContact CD2-CB 4.21Å; F82-F94 AromaticContact CD2-CD1 3.52Å; F82-F94 HydrophobicContact CD2-CD1 3.52Å; F82-F94 HydrophobicContact CD2-CE1 4.18Å; F82-F94 HydrophobicContact CD2-CG 4.05Å; F82-F94 HydrophobicContact CE1-CD1 4.28Å; F82-F94 AromaticContact CE1-CE1 3.97Å; F82-F94 HydrophobicContact CE1-CE1 3.97Å; F82-F94 HydrophobicContact CE2-CB 3.91Å; F82-F94 AromaticContact CE2-CD1 3.22Å; F82-F94 HydrophobicContact CE2-CD1 3.22Å; F82-F94 HydrophobicContact CE2-CD2 4.16Å; F82-F94 AromaticContact CE2-CE1 3.72Å; F82-F94 HydrophobicContact CE2-CE1 3.72Å; F82-F94 AromaticContact CE2-CG 3.48Å; F82-F94 HydrophobicContact CE2-CG 3.48Å; F82-F94 VanDerWaalsContact CE2-CG 3.48Å; F82-F94 HydrophobicContact CE2-CZ 4.37Å; F82-F94 HydrophobicContact CG-CD1 4.16Å; F82-F94 HydrophobicContact CG-CE1 4.5Å; F82-F94 AromaticContact CZ-CD1 3.64Å; F82-F94 HydrophobicContact CZ-CD1 3.64Å; F82-F94 HydrophobicContact CZ-CD2 4.44Å; F82-F94 AromaticContact CZ-CE1 3.59Å; F82-F94 HydrophobicContact CZ-CE1 3.59Å; F82-F94 HydrophobicContact CZ-CE2 4.41Å; F82-F94 HydrophobicContact CZ-CG 4.08Å; F82-F94 HydrophobicContact CZ-CZ 4Å; F94-F96 HydrophobicContact CD2-CB 4.31Å; F94-F96 HydrophobicContact CE2-CB 4.46Å; F94-L154 HydrophobicContact CB-CD1 3.99Å; F94-L154 HydrophobicContact CD2-CD1 4.05Å; F94-L154 HydrophobicContact CG-CD1 4.42Å; F94-Y155 CarbonylContact C-O 3.59Å; F94-Y155 WeakPolarHBondContact CA-O 3.39Å; F94-I156 HydrophobicContact CB-CG1 4.28Å; F94-L195 HydrophobicContact CE2-CD2 4.38Å; F94-L195 HydrophobicContact CZ-CD2 3.76Å; F94-F196 HydrophobicContact CE2-CE2 4.36Å
95	W	98.8	Very high	89	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	112.7	167.6	-159.6	-18.9	0	0	0	109.9	V67 L70 S77 Y78 F93 F97 M122 L125 F126 Y132 Y155 I348	V67-W95 HydrophobicContact CG1-CZ2 4.04Å; V67-W95 HydrophobicContact CG2-CZ2 4.45Å; L70-W95 HydrophobicContact CD1-CH2 4.05Å; L70-W95 HydrophobicContact CD1-CZ2 4.08Å; S77-W95 VanDerWaalsContact CB-NE1 3.31Å; S77-W95 PolarHBondContact OG-NE1 2.83Å; Y78-W95 CarbonylContact O-C 3.5Å; Y78-W95 WeakPolarHBondContact O-CA 3.41Å; F93-W95 HydrophobicContact CE1-CB 4.23Å; F93-W95 HydrophobicContact CE1-CE3 4.32Å; F93-W95 HydrophobicContact CZ-CB 4.43Å; F93-W95 HydrophobicContact CZ-CE3 4.31Å; W95-F97 HydrophobicContact CB-CE2 4.31Å; W95-F97 AromaticContact CD1-CE2 3.28Å; W95-F97 AromaticContact CD1-CZ 3.62Å; W95-F97 AromaticContact CD2-CE2 3.98Å; W95-F97 HydrophobicContact CD2-CE2 3.98Å; W95-F97 HydrophobicContact CD2-CZ 4.04Å; W95-F97 AromaticContact CE2-CE2 3.86Å; W95-F97 AromaticContact CE2-CZ 3.48Å; W95-F97 VanDerWaalsContact CE2-CZ 3.48Å; W95-F97 AromaticContact CG-CE2 3.61Å; W95-F97 HydrophobicContact CG-CE2 3.61Å; W95-F97 HydrophobicContact CG-CZ 4.1Å; W95-F97 AromaticContact CZ2-CZ 3.95Å; W95-F97 HydrophobicContact CZ2-CZ 3.95Å; W95-F97 AromaticContact NE1-CE1 3.98Å; W95-F97 AromaticContact NE1-CE2 3.42Å; W95-F97 AromaticContact NE1-CZ 3.2Å; W95-M122 HydrophobicContact CB-CE 4.16Å; W95-M122 HydrophobicContact CE3-SD 3.56Å; W95-M122 VanDerWaalsContact CE3-SD 3.56Å; W95-M122 HydrophobicContact CZ3-SD 4.13Å; W95-L125 HydrophobicContact CB-CD1 4.28Å; W95-L125 HydrophobicContact CD2-CD1 3.78Å; W95-L125 HydrophobicContact CE3-CD1 3.64Å; W95-L125 HydrophobicContact CG-CD1 4.09Å; W95-L125 HydrophobicContact CZ3-CD1 4.15Å; W95-F126 AromaticContact CH2-CZ 3.82Å; W95-F126 HydrophobicContact CH2-CZ 3.82Å; W95-F126 HydrophobicContact CZ3-CE2 4.01Å; W95-F126 AromaticContact CZ3-CZ 3.73Å; W95-F126 HydrophobicContact CZ3-CZ 3.73Å; W95-Y132 HydrophobicContact CZ2-CE2 4.5Å; W95-Y155 PolarHBondContact N-O 2.89Å; W95-Y155 PolarHBondContact O-N 2.82Å; W95-I348 HydrophobicContact CE3-CG2 4.3Å; W95-I348 HydrophobicContact CH2-CB 4.39Å; W95-I348 HydrophobicContact CH2-CG2 3.3Å; W95-I348 HydrophobicContact CZ2-CG2 3.64Å; W95-I348 HydrophobicContact CZ3-CB 4.35Å; W95-I348 HydrophobicContact CZ3-CD1 4.18Å; W95-I348 HydrophobicContact CZ3-CG2 3.66Å
96	F	98.7	Very high	88.6	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	132.6	-176	178.3	-123.3	0	0	0	112.3	S77 Y78 F94 P98 V153 L154 F192 F196 Y199	S77-F96 CarbonylContact C-O 3.48Å; S77-F96 WeakPolarHBondContact CA-O 3.22Å; S77-F96 VanDerWaalsContact CB-O 3.22Å; S77-F96 WeakPolarHBondContact CB-O 3.47Å; Y78-F96 HydrophobicContact CD2-CD1 4.06Å; Y78-F96 PolarHBondContact N-O 2.76Å; Y78-F96 PolarHBondContact O-N 3.02Å; F94-F96 HydrophobicContact CD2-CB 4.31Å; F94-F96 HydrophobicContact CE2-CB 4.46Å; F96-P98 HydrophobicContact CD1-CG 4.42Å; F96-P98 HydrophobicContact CE1-CG 3.96Å; F96-V153 WeakPolarHBondContact CA-O 3.43Å; F96-V153 WeakPolarHBondContact CD2-O 3.47Å; F96-L154 HydrophobicContact CB-CD1 4.04Å; F96-L154 HydrophobicContact CD2-CB 4.06Å; F96-L154 HydrophobicContact CD2-CD1 4.45Å; F96-F192 HydrophobicContact CB-CE2 4.17Å; F96-F192 AromaticContact CD1-CE2 3.98Å; F96-F192 HydrophobicContact CD1-CE2 3.98Å; F96-F192 HydrophobicContact CD1-CZ 4.41Å; F96-F192 AromaticContact CD2-CE2 3.67Å; F96-F192 HydrophobicContact CD2-CE2 3.67Å; F96-F192 AromaticContact CD2-CZ 3.81Å; F96-F192 HydrophobicContact CD2-CZ 3.81Å; F96-F192 HydrophobicContact CE1-CE2 4.29Å; F96-F192 HydrophobicContact CE1-CZ 4.27Å; F96-F192 AromaticContact CE2-CE2 3.99Å; F96-F192 HydrophobicContact CE2-CE2 3.99Å; F96-F192 AromaticContact CE2-CZ 3.65Å; F96-F192 HydrophobicContact CE2-CZ 3.65Å; F96-F192 AromaticContact CG-CE2 3.67Å; F96-F192 HydrophobicContact CG-CE2 3.67Å; F96-F192 HydrophobicContact CG-CZ 4.2Å; F96-F192 HydrophobicContact CZ-CE2 4.29Å; F96-F192 AromaticContact CZ-CZ 3.9Å; F96-F192 HydrophobicContact CZ-CZ 3.9Å; F96-F196 HydrophobicContact CD1-CD1 4.49Å; F96-F196 HydrophobicContact CD1-CD2 4.28Å; F96-F196 HydrophobicContact CD1-CE1 4.2Å; F96-F196 AromaticContact CD1-CE2 3.97Å; F96-F196 HydrophobicContact CD1-CE2 3.97Å; F96-F196 AromaticContact CD1-CZ 3.95Å; F96-F196 HydrophobicContact CD1-CZ 3.95Å; F96-F196 HydrophobicContact CE1-CD1 4.38Å; F96-F196 HydrophobicContact CE1-CE1 4.46Å; F96-F196 HydrophobicContact CE1-CG 4.44Å; F96-Y199 HydrophobicContact CE1-CD2 4.37Å; F96-Y199 AromaticContact CE1-CE2 3.81Å; F96-Y199 HydrophobicContact CE1-CE2 3.81Å; F96-Y199 AromaticContact CE1-CZ 3.92Å; F96-Y199 HydrophobicContact CZ-CD1 4.26Å; F96-Y199 HydrophobicContact CZ-CD2 4.29Å; F96-Y199 AromaticContact CZ-CE1 3.93Å; F96-Y199 HydrophobicContact CZ-CE1 3.93Å; F96-Y199 AromaticContact CZ-CE2 3.93Å; F96-Y199 HydrophobicContact CZ-CE2 3.93Å; F96-Y199 HydrophobicContact CZ-CG 4.42Å; F96-Y199 AromaticContact CZ-CZ 3.74Å
97	F	98.1	Very high	88.5	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.2	176.6	-68.6	-97.7	0	0	0	109.7	V75 S77 W95 L125 P131 Y132 T148 S152 V153 Y155	V75-F97 HydrophobicContact CB-CE1 4.45Å; V75-F97 HydrophobicContact CG1-CD1 3.95Å; V75-F97 HydrophobicContact CG1-CE1 4.38Å; S77-F97 VanDerWaalsContact CB-CE1 3.46Å; W95-F97 HydrophobicContact CB-CE2 4.31Å; W95-F97 AromaticContact CD1-CE2 3.28Å; W95-F97 AromaticContact CD1-CZ 3.62Å; W95-F97 AromaticContact CD2-CE2 3.98Å; W95-F97 HydrophobicContact CD2-CE2 3.98Å; W95-F97 HydrophobicContact CD2-CZ 4.04Å; W95-F97 AromaticContact CE2-CE2 3.86Å; W95-F97 AromaticContact CE2-CZ 3.48Å; W95-F97 VanDerWaalsContact CE2-CZ 3.48Å; W95-F97 AromaticContact CG-CE2 3.61Å; W95-F97 HydrophobicContact CG-CE2 3.61Å; W95-F97 HydrophobicContact CG-CZ 4.1Å; W95-F97 AromaticContact CZ2-CZ 3.95Å; W95-F97 HydrophobicContact CZ2-CZ 3.95Å; W95-F97 AromaticContact NE1-CE1 3.98Å; W95-F97 AromaticContact NE1-CE2 3.42Å; W95-F97 AromaticContact NE1-CZ 3.2Å; F97-L125 HydrophobicContact CE2-CD1 3.5Å; F97-L125 HydrophobicContact CE2-CG 3.98Å; F97-L125 HydrophobicContact CZ-CD1 3.89Å; F97-L125 HydrophobicContact CZ-CD2 4.26Å; F97-L125 HydrophobicContact CZ-CG 4.21Å; F97-P131 HydrophobicContact CD1-CG 3.58Å; F97-P131 HydrophobicContact CE1-CG 3.43Å; F97-P131 VanDerWaalsContact CE1-CG 3.43Å; F97-P131 HydrophobicContact CG-CG 4.34Å; F97-P131 HydrophobicContact CZ-CG 4.09Å; F97-Y132 HydrophobicContact CE1-CD2 4.48Å; F97-Y132 AromaticContact CE1-CE2 3.71Å; F97-Y132 HydrophobicContact CE1-CE2 3.71Å; F97-Y132 HydrophobicContact CZ-CD2 4.48Å; F97-Y132 AromaticContact CZ-CE2 3.91Å; F97-Y132 HydrophobicContact CZ-CE2 3.91Å; F97-T148 HydrophobicContact CB-CG2 3.65Å; F97-T148 HydrophobicContact CG-CG2 4.15Å; F97-S152 CarbonylContact O-C 3.44Å; F97-S152 WeakPolarHBondContact O-CA 3.41Å; F97-V153 PolarHBondContact N-O 3.24Å; F97-V153 PolarHBondContact O-N 3.31Å; F97-Y155 AromaticContact CD2-CD2 3.92Å; F97-Y155 HydrophobicContact CD2-CD2 3.92Å; F97-Y155 AromaticContact CD2-CE2 3.93Å; F97-Y155 HydrophobicContact CD2-CE2 3.93Å; F97-Y155 HydrophobicContact CE2-CD2 4.14Å; F97-Y155 HydrophobicContact CE2-CE2 4.31Å
98	P	96.6	Very high	88.5	Confident	11 Å²	11	47.3 Å²	47.3	7%	0.071	25%	0.253	C	S	.	.			trans	-56.7	146.3	165.8	-26.3	36.1	0	0	0	112.1	Y78 F96 Y199	Y78-P98 HydrophobicContact CD2-CG 4.3Å; Y78-P98 HydrophobicContact CE2-CG 3.89Å; F96-P98 HydrophobicContact CD1-CG 4.42Å; F96-P98 HydrophobicContact CE1-CG 3.96Å; P98-Y199 WeakPolarHBondContact CB-OH 3.25Å
99	A	95.1	Very high	88.6	Confident	4 Å²	4	44.6 Å²	44.6	3%	0.033	24%	0.243	C	C	.	.			trans	-53.7	137.5	171.7	0	0	0	0	0	111.5	Q104 A107 T148 Y151 S152	A99-Q104 WeakPolarHBondContact O-CG 3.31Å; A99-Q104 PolarHBondContact O-NE2 3.4Å; A99-A107 HydrophobicContact CB-CB 3.67Å; A99-T148 WeakPolarHBondContact CA-O 3.31Å; A99-Y151 WeakPolarHBondContact CA-O 3.46Å; A99-S152 PolarHBondContact N-OG 3Å
100	Q	89.8	Confident	88.7	Confident	84 Å²	84	41.7 Å²	41.7	39%	0.393	23%	0.227	S	C	.	.			trans	-86.5	-32.6	-173	-64.5	175.6	6.9	0	0	114.2	V75 Q104 T148 S149	V75-Q100 HydrophobicContact CG1-CG 4.38Å; Q100-Q104 PolarHBondContact O-NE2 2.82Å; Q100-T148 WeakPolarHBondContact CG-O 3.25Å; Q100-T148 PolarHBondContact N-O 3.11Å; Q100-T148 PolarHBondContact NE2-OG1 2.94Å; Q100-S149 PolarHBondContact N-O 2.92Å
101	M	82.7	Confident	88.8	Confident	120 Å²	120	41.7 Å²	41.7	59%	0.591	23%	0.227	S	C	*	.	S	Bend	trans	-81.9	151.3	-175	-69.9	179.7	72.4	0	0	114.3	Q103 Q104 S149 R150	M101-Q103 PolarHBondContact O-N 3.04Å; M101-Q104 WeakPolarHBondContact O-CG 3.39Å; M101-S149 WeakPolarHBondContact CB-O 3.39Å; M101-S149 VanDerWaalsContact CG-O 3.24Å; M101-S149 WeakPolarHBondContact CG-O 3.48Å; M101-S149 PolarHBondContact N-O 3.3Å; M101-R150 HydrophobicContact SD-CG 3.99Å
102	A	47.9	Very low	88.8	Confident	99 Å²	99	41.7 Å²	41.7	82%	0.818	23%	0.227	S	C	*	.	S	Bend	trans	-71.5	85.7	-173.7	0	0	0	0	0	113.8
103	Q	58.4	Low	88.8	Confident	185 Å²	185	41.6 Å²	41.6	86%	0.864	23%	0.227	S	C	*	.			trans	-174.1	36.2	158	-99.9	158.9	14	0	0	108.1	M101 D105	M101-Q103 PolarHBondContact O-N 3.04Å; Q103-D105 PolarHBondContact O-N 3.49Å
104	Q	63.3	Low	88.8	Confident	76 Å²	76	41.7 Å²	41.7	36%	0.355	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-66.4	-28.6	-154.3	-68.6	-179.1	-10.1	0	0	115.4	A99 Q100 M101 N106 A107	A99-Q104 WeakPolarHBondContact O-CG 3.31Å; A99-Q104 PolarHBondContact O-NE2 3.4Å; Q100-Q104 PolarHBondContact O-NE2 2.82Å; M101-Q104 WeakPolarHBondContact O-CG 3.39Å; Q104-N106 PolarHBondContact O-N 3.32Å; Q104-N106 VanDerWaalsContact O-N 3.16Å; Q104-A107 PolarHBondContact O-N 2.93Å
105	D	71.9	Confident	88.6	Confident	135 Å²	135	41.7 Å²	41.7	72%	0.722	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-64.2	-30.2	-165.8	-61.8	-15.3	0	0	0	112.6	Q103 N202	Q103-D105 PolarHBondContact O-N 3.49Å; D105-N202 PolarHBondContact O-ND2 3.38Å; D105-N202 PolarHBondContact O-OD1 3.5Å; D105-N202 VanDerWaalsContact O-OD1 3.1Å
106	N	85.2	Confident	88.2	Confident	128 Å²	128	42.1 Å²	42.1	68%	0.684	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-110.1	8.2	-178.2	-62.3	-31.9	0	0	0	113.7	Q104	Q104-N106 PolarHBondContact O-N 3.32Å; Q104-N106 VanDerWaalsContact O-N 3.16Å
107	A	93.2	Very high	88	Confident	11 Å²	11	42.5 Å²	42.5	9%	0.091	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-59.9	133.2	-179.4	0	0	0	0	0	110.4	A99 Q104 N202	A99-A107 HydrophobicContact CB-CB 3.67Å; Q104-A107 PolarHBondContact O-N 2.93Å; A107-N202 PolarHBondContact O-ND2 2.79Å
108	P	95.7	Very high	87.8	Confident	20 Å²	20	42.6 Å²	42.6	13%	0.13	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-53.3	145.3	177.1	-27.9	33.9	0	0	0	112.6	L110 Y151 S152 E203 Y205	P108-L110 HydrophobicContact CB-CD2 4.39Å; P108-Y151 HydrophobicContact CB-CD1 4.07Å; P108-Y151 HydrophobicContact CG-CD1 4.04Å; P108-Y151 HydrophobicContact CG-CE1 4.11Å; P108-S152 PolarHBondContact O-N 3.45Å; P108-E203 CarbonylContact C-O 3.48Å; P108-E203 VanDerWaalsContact CA-O 3.25Å; P108-E203 WeakPolarHBondContact CA-O 3.28Å; P108-E203 HydrophobicContact CB-CB 4.25Å; P108-E203 HydrophobicContact CG-CB 4.37Å; P108-Y205 HydrophobicContact CB-CD2 4.2Å; P108-Y205 HydrophobicContact CB-CE2 4.14Å
109	V	97.9	Very high	87.7	Confident	1 Å²	1	42.6 Å²	42.6	1%	0.006	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	120.7	172.2	-179	0	0	0	0	108.9	S152 F192 Y199 N202 E203 F204 Y205	V109-S152 CarbonylContact C-O 3.57Å; V109-S152 VanDerWaalsContact CA-O 3.29Å; V109-S152 WeakPolarHBondContact CA-O 3.36Å; V109-F192 HydrophobicContact CG1-CE1 4.01Å; V109-F192 HydrophobicContact CG1-CZ 4.17Å; V109-Y199 HydrophobicContact CG2-CD1 3.67Å; V109-Y199 HydrophobicContact CG2-CG 4.14Å; V109-N202 HydrophobicContact CG2-CB 4.19Å; V109-E203 PolarHBondContact N-O 3.01Å; V109-F204 HydrophobicContact CB-CD2 4.04Å; V109-F204 HydrophobicContact CG1-CD2 3.91Å; V109-F204 HydrophobicContact CG1-CE2 4.17Å; V109-F204 WeakPolarHBondContact O-CA 3.35Å; V109-F204 WeakPolarHBondContact O-CD2 3.44Å; V109-Y205 PolarHBondContact O-N 2.92Å
110	L	98.6	Very high	87.8	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.8	177	-47.7	-177.4	0	0	0	108.8	P108 W147 Y151 S152 V153 L154 Y205 L472	P108-L110 HydrophobicContact CB-CD2 4.39Å; L110-W147 HydrophobicContact CD1-CE3 3.85Å; L110-W147 HydrophobicContact CD1-CZ3 4.32Å; L110-Y151 HydrophobicContact CD1-CD2 4.17Å; L110-Y151 HydrophobicContact CD1-CG 3.88Å; L110-Y151 HydrophobicContact CG-CG 4.43Å; L110-S152 PolarHBondContact N-O 2.99Å; L110-V153 HydrophobicContact CB-CG2 4.48Å; L110-V153 CarbonylContact O-C 3.57Å; L110-V153 WeakPolarHBondContact O-CA 3.46Å; L110-L154 PolarHBondContact O-N 3.25Å; L110-Y205 WeakPolarHBondContact CA-O 3.22Å; L110-Y205 HydrophobicContact CD2-CD2 3.99Å; L110-Y205 HydrophobicContact CD2-CG 4.19Å; L110-L472 HydrophobicContact CD1-CD1 3.7Å; L110-L472 HydrophobicContact CD2-CD1 3.66Å; L110-L472 HydrophobicContact CD2-CD2 3.89Å; L110-L472 HydrophobicContact CD2-CG 4.46Å; L110-L472 HydrophobicContact CG-CD1 4.26Å
111	L	98.9	Very high	88.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	128.3	162.4	167.4	65.5	0	0	0	108.1	L113 L154 I156 L189 F204 Y205 T207 V219	L111-L113 HydrophobicContact CD1-CD2 3.82Å; L111-L113 HydrophobicContact CD1-CG 4.24Å; L111-L113 HydrophobicContact CD2-CD1 4.07Å; L111-L113 HydrophobicContact CD2-CD2 4.25Å; L111-L113 HydrophobicContact CD2-CG 4.11Å; L111-L113 HydrophobicContact CG-CD1 4.47Å; L111-L113 HydrophobicContact CG-CD2 4.1Å; L111-L113 HydrophobicContact CG-CG 3.97Å; L111-L154 CarbonylContact C-O 3.47Å; L111-L154 WeakPolarHBondContact CA-O 3.49Å; L111-L154 HydrophobicContact CD1-CD2 4.34Å; L111-L154 HydrophobicContact CD1-CG 4.28Å; L111-I156 HydrophobicContact CD1-CB 4.3Å; L111-I156 HydrophobicContact CD1-CD1 3.63Å; L111-I156 HydrophobicContact CD1-CG1 3.77Å; L111-L189 HydrophobicContact CD2-CD1 4.48Å; L111-L189 HydrophobicContact CD2-CD2 4.4Å; L111-F204 HydrophobicContact CB-CE2 3.9Å; L111-F204 HydrophobicContact CB-CZ 3.6Å; L111-F204 HydrophobicContact CD2-CZ 4.23Å; L111-Y205 PolarHBondContact N-O 3Å; L111-T207 CarbonylContact O-C 3.38Å; L111-T207 VanDerWaalsContact O-CA 3.3Å; L111-T207 WeakPolarHBondContact O-CA 3.46Å; L111-T207 WeakPolarHBondContact O-CB 3.5Å; L111-T207 PolarHBondContact O-N 3.12Å; L111-T207 PolarHBondContact O-OG1 2.84Å; L111-V219 HydrophobicContact CD2-CG1 4.2Å
112	W	98.9	Very high	88.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	127.1	169.9	-179.9	-93	0	0	0	110.8	S121 E128 H129 W147 V153 L154 Y155 I156 T207 E209	W112-S121 PolarHBondContact O-OG 3.02Å; W112-E128 WeakPolarHBondContact CZ2-OE1 3.4Å; W112-E128 WeakPolarHBondContact CZ2-OE2 3.41Å; W112-H129 AromaticContact CD2-CE1 3.57Å; W112-H129 AromaticContact CD2-NE2 3.1Å; W112-H129 AromaticContact CE2-NE2 3.22Å; W112-H129 AromaticContact CE3-CE1 3.61Å; W112-H129 AromaticContact CE3-NE2 3.18Å; W112-H129 AromaticContact CG-CE1 3.92Å; W112-H129 AromaticContact CG-NE2 3.82Å; W112-H129 AromaticContact CH2-CD2 3.95Å; W112-H129 AromaticContact CH2-NE2 3.46Å; W112-H129 WeakPolarHBondContact CH2-NE2 3.47Å; W112-H129 AromaticContact CZ2-NE2 3.41Å; W112-H129 WeakPolarHBondContact CZ2-NE2 3.17Å; W112-H129 AromaticContact CZ3-NE2 3.36Å; W112-H129 WeakPolarHBondContact CZ3-NE2 3.34Å; W112-H129 AromaticContact NE1-NE2 3.93Å; W112-W147 HydrophobicContact CE3-CH2 4.21Å; W112-W147 AromaticContact CE3-CZ3 3.89Å; W112-W147 HydrophobicContact CE3-CZ3 3.89Å; W112-W147 AromaticContact CZ3-CH2 3.76Å; W112-W147 HydrophobicContact CZ3-CH2 3.76Å; W112-W147 AromaticContact CZ3-CZ3 3.94Å; W112-W147 HydrophobicContact CZ3-CZ3 3.94Å; W112-V153 HydrophobicContact CB-CG1 4.18Å; W112-L154 PolarHBondContact N-O 3.17Å; W112-Y155 HydrophobicContact CB-CD1 3.76Å; W112-Y155 HydrophobicContact CB-CE1 3.85Å; W112-Y155 HydrophobicContact CB-CG 4.48Å; W112-Y155 AromaticContact CD1-CD1 3.5Å; W112-Y155 VanDerWaalsContact CD1-CD1 3.5Å; W112-Y155 AromaticContact CD1-CE1 3.69Å; W112-Y155 AromaticContact CG-CD1 3.83Å; W112-Y155 HydrophobicContact CG-CD1 3.83Å; W112-Y155 AromaticContact CG-CE1 3.77Å; W112-Y155 HydrophobicContact CG-CE1 3.77Å; W112-I156 PolarHBondContact O-N 3.36Å; W112-T207 WeakPolarHBondContact CA-O 3.44Å; W112-E209 HydrophobicContact CH2-CB 3.96Å; W112-E209 HydrophobicContact CZ2-CB 4Å
113	L	98.7	Very high	91.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	120	175.3	-59	177.7	0	0	0	109.4	L111 I156 N158 L184 T207 G208 E209 A212 V216 V219	L111-L113 HydrophobicContact CD1-CD2 3.82Å; L111-L113 HydrophobicContact CD1-CG 4.24Å; L111-L113 HydrophobicContact CD2-CD1 4.07Å; L111-L113 HydrophobicContact CD2-CD2 4.25Å; L111-L113 HydrophobicContact CD2-CG 4.11Å; L111-L113 HydrophobicContact CG-CD1 4.47Å; L111-L113 HydrophobicContact CG-CD2 4.1Å; L111-L113 HydrophobicContact CG-CG 3.97Å; L113-I156 HydrophobicContact CD2-CB 4.24Å; L113-N158 HydrophobicContact CD2-CB 3.95Å; L113-L184 HydrophobicContact CD1-CD1 3.67Å; L113-L184 HydrophobicContact CD2-CD1 4.35Å; L113-L184 HydrophobicContact CD2-CD2 4.18Å; L113-T207 PolarHBondContact N-O 3.18Å; L113-G208 WeakPolarHBondContact O-CA 3.48Å; L113-E209 PolarHBondContact O-N 2.79Å; L113-A212 HydrophobicContact CB-CB 4.05Å; L113-A212 WeakPolarHBondContact O-CB 3.43Å; L113-V216 HydrophobicContact CD1-CG2 4.36Å; L113-V219 HydrophobicContact CD1-CG1 4.46Å
114	Q	97.5	Very high	93.1	Very high	1 Å²	1	20 Å²	20	1%	0.005	11%	0.113	C	C	.	.			trans	-78.2	162.1	166.9	-167.4	43.1	-89	0	0	110.5	F27 S121 F123 E128 E209	F27-Q114 HydrophobicContact CE1-CG 4.27Å; F27-Q114 HydrophobicContact CZ-CG 3.57Å; Q114-S121 PolarHBondContact N-OG 3.45Å; Q114-S121 VanDerWaalsContact N-OG 3.09Å; Q114-F123 HydrophobicContact CG-CB 4.42Å; Q114-E128 PolarHBondContact NE2-OE1 3.09Å; Q114-E209 PolarHBondContact NE2-OE1 3.46Å
115	G	95.6	Very high	94.8	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.097	C	C	.	.			trans	-91.6	-112.5	-174.6	0	0	0	0	0	114.5	P117 G118 G119 E209	G115-P117 CarbonylContact O-C 3.5Å; G115-P117 WeakPolarHBondContact O-CA 3.49Å; G115-G118 PolarHBondContact O-N 2.85Å; G115-G119 PolarHBondContact O-N 2.58Å; G115-E209 WeakPolarHBondContact CA-O 3.19Å; G115-E209 PolarHBondContact N-O 2.82Å
116	G	90.3	Very high	96.1	Very high	10 Å²	10	10.2 Å²	10.2	10%	0.103	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	101	-102.8	-167	0	0	0	0	0	111.8
117	P	93.9	Very high	96.7	Very high	7 Å²	7	4.5 Å²	4.5	5%	0.045	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	cis	-71.6	139.8	17.2	25.6	-34.3	0	0	0	114.4	G115 Y211 Y215 E362 L365 V369	G115-P117 CarbonylContact O-C 3.5Å; G115-P117 WeakPolarHBondContact O-CA 3.49Å; P117-Y211 HydrophobicContact CB-CD1 3.67Å; P117-Y211 HydrophobicContact CB-CE1 3.79Å; P117-Y211 HydrophobicContact CB-CG 4.06Å; P117-Y211 HydrophobicContact CG-CD1 4.32Å; P117-Y211 HydrophobicContact CG-CD2 4.41Å; P117-Y211 HydrophobicContact CG-CE1 4.26Å; P117-Y211 HydrophobicContact CG-CE2 4.37Å; P117-Y211 HydrophobicContact CG-CG 4.37Å; P117-Y215 WeakPolarHBondContact CA-OH 3.44Å; P117-Y215 WeakPolarHBondContact CB-OH 3.37Å; P117-E362 HydrophobicContact CG-CB 4.25Å; P117-E362 HydrophobicContact CG-CG 4.18Å; P117-L365 HydrophobicContact CB-CB 4.22Å; P117-L365 HydrophobicContact CB-CD1 3.68Å; P117-L365 HydrophobicContact CG-CB 4.2Å; P117-V369 HydrophobicContact CG-CG2 4.08Å
118	G	93.1	Very high	96.9	Very high	3 Å²	3	4 Å²	4	3%	0.031	3%	0.029	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.3	-3.8	177.4	0	0	0	0	0	114.3	G115 T162 G358	G115-G118 PolarHBondContact O-N 2.85Å; G118-T162 VanDerWaalsContact CA-OG1 3.27Å; G118-T162 WeakPolarHBondContact CA-OG1 3.25Å; G118-T162 WeakPolarHBondContact O-CG2 3.41Å; G118-T162 PolarHBondContact O-OG1 2.92Å; G118-T162 VanDerWaalsContact O-OG1 3.13Å; G118-G358 VanDerWaalsContact O-CA 3.3Å; G118-G358 WeakPolarHBondContact O-CA 3.5Å
119	G	94.3	Very high	97	Very high	10 Å²	10	3.1 Å²	3.1	10%	0.103	2%	0.023	C	C	.	.			trans	-68.8	132.4	178.2	0	0	0	0	0	112.2	G115 T162	G115-G119 PolarHBondContact O-N 2.58Å; G119-T162 VanDerWaalsContact O-CG2 3.32Å; G119-T162 WeakPolarHBondContact O-CG2 3.44Å
120	T	97.3	Very high	97	Very high	16 Å²	16	3 Å²	3	10%	0.098	2%	0.023	C	C	.	.			trans	-69.2	136.3	-179.5	173.1	0	0	0	0	112.2	M122 F123 D157 F335 F355	T120-M122 HydrophobicContact CG2-CB 4.38Å; T120-M122 PolarHBondContact O-N 3.4Å; T120-M122 VanDerWaalsContact OG1-CB 3.28Å; T120-M122 WeakPolarHBondContact OG1-CB 3.36Å; T120-M122 VanDerWaalsContact OG1-CG 3.31Å; T120-M122 WeakPolarHBondContact OG1-CG 3.27Å; T120-M122 PolarHBondContact OG1-N 2.61Å; T120-M122 VanDerWaalsContact OG1-N 3.11Å; T120-F123 VanDerWaalsContact O-CB 3.23Å; T120-F123 WeakPolarHBondContact O-CB 3.33Å; T120-F123 PolarHBondContact O-N 3.34Å; T120-F123 VanDerWaalsContact O-N 3.08Å; T120-D157 WeakPolarHBondContact CA-OD1 3.39Å; T120-D157 WeakPolarHBondContact CB-OD1 2.9Å; T120-D157 PolarHBondContact OG1-OD1 3.27Å; T120-D157 PolarHBondContact OG1-OD2 3.07Å; T120-F335 HydrophobicContact CG2-CE2 3.79Å; T120-F335 HydrophobicContact CG2-CZ 4.04Å; T120-F355 HydrophobicContact CG2-CZ 3.92Å
121	S	98.3	Very high	97	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-8.4	173.6	-68.1	0	0	0	0	112.5	W112 Q114 F123 G124 L125 Y155 I156 D157	W112-S121 PolarHBondContact O-OG 3.02Å; Q114-S121 PolarHBondContact N-OG 3.45Å; Q114-S121 VanDerWaalsContact N-OG 3.09Å; S121-F123 PolarHBondContact O-N 3.19Å; S121-G124 PolarHBondContact O-N 3.32Å; S121-L125 PolarHBondContact O-N 3.23Å; S121-Y155 WeakPolarHBondContact O-CD1 3.46Å; S121-I156 WeakPolarHBondContact CB-O 3.22Å; S121-I156 PolarHBondContact OG-O 3.31Å; S121-D157 PolarHBondContact N-OD1 3.22Å
122	M	97.9	Very high	96.9	Very high	0 Å²	0	3.3 Å²	3.3	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-63.9	-25.6	168.1	-58.6	-57.5	96	0	0	111.5	F93 W95 T120 L125 F126 F335	F93-M122 HydrophobicContact CD1-CE 4.39Å; F93-M122 HydrophobicContact CE1-CE 4.08Å; F93-M122 HydrophobicContact CE1-SD 3.83Å; W95-M122 HydrophobicContact CB-CE 4.16Å; W95-M122 HydrophobicContact CE3-SD 3.56Å; W95-M122 VanDerWaalsContact CE3-SD 3.56Å; W95-M122 HydrophobicContact CZ3-SD 4.13Å; T120-M122 HydrophobicContact CG2-CB 4.38Å; T120-M122 PolarHBondContact O-N 3.4Å; T120-M122 VanDerWaalsContact OG1-CB 3.28Å; T120-M122 WeakPolarHBondContact OG1-CB 3.36Å; T120-M122 VanDerWaalsContact OG1-CG 3.31Å; T120-M122 WeakPolarHBondContact OG1-CG 3.27Å; T120-M122 PolarHBondContact OG1-N 2.61Å; T120-M122 VanDerWaalsContact OG1-N 3.11Å; M122-L125 HydrophobicContact CE-CD1 4.05Å; M122-L125 WeakPolarHBondContact O-CB 3.34Å; M122-L125 PolarHBondContact O-N 3.11Å; M122-L125 HydrophobicContact SD-CD1 3.91Å; M122-F126 HydrophobicContact CB-CD2 4.19Å; M122-F126 HydrophobicContact CB-CE2 4.34Å; M122-F126 VanDerWaalsContact O-CD2 3.23Å; M122-F126 WeakPolarHBondContact O-CD2 3.46Å; M122-F126 PolarHBondContact O-N 3.19Å; M122-F335 HydrophobicContact CB-CD2 4.25Å; M122-F335 HydrophobicContact CB-CE2 4.23Å
123	F	97.8	Very high	96.8	Very high	2 Å²	2	6 Å²	6	1%	0.009	4%	0.038	C	C	.	.	H	α-helix	trans	-59.3	-51.8	171.5	-173.8	-88	0	0	0	110.8	F27 Q114 T120 S121 L125 F126 V127 E128 Q332 F335 I455	F27-F123 HydrophobicContact CD2-CD2 4.15Å; F27-F123 AromaticContact CD2-CE2 3.9Å; F27-F123 HydrophobicContact CD2-CE2 3.9Å; F27-F123 HydrophobicContact CD2-CZ 4.1Å; F27-F123 HydrophobicContact CE2-CB 4.36Å; F27-F123 AromaticContact CE2-CD1 3.66Å; F27-F123 HydrophobicContact CE2-CD1 3.66Å; F27-F123 AromaticContact CE2-CD2 3.58Å; F27-F123 HydrophobicContact CE2-CD2 3.58Å; F27-F123 AromaticContact CE2-CE1 3.71Å; F27-F123 HydrophobicContact CE2-CE1 3.71Å; F27-F123 AromaticContact CE2-CE2 3.64Å; F27-F123 HydrophobicContact CE2-CE2 3.64Å; F27-F123 AromaticContact CE2-CG 3.6Å; F27-F123 HydrophobicContact CE2-CG 3.6Å; F27-F123 AromaticContact CE2-CZ 3.7Å; F27-F123 HydrophobicContact CE2-CZ 3.7Å; F27-F123 HydrophobicContact CZ-CD1 4.26Å; F27-F123 HydrophobicContact CZ-CG 4.24Å; Q114-F123 HydrophobicContact CG-CB 4.42Å; T120-F123 VanDerWaalsContact O-CB 3.23Å; T120-F123 WeakPolarHBondContact O-CB 3.33Å; T120-F123 PolarHBondContact O-N 3.34Å; T120-F123 VanDerWaalsContact O-N 3.08Å; S121-F123 PolarHBondContact O-N 3.19Å; F123-L125 PolarHBondContact O-N 3.09Å; F123-F126 PolarHBondContact O-N 3.39Å; F123-V127 HydrophobicContact CD1-CB 4.21Å; F123-V127 HydrophobicContact CD2-CB 4.34Å; F123-V127 HydrophobicContact CD2-CG2 3.83Å; F123-V127 HydrophobicContact CE1-CB 4.03Å; F123-V127 HydrophobicContact CE1-CG1 3.98Å; F123-V127 HydrophobicContact CE2-CB 4.17Å; F123-V127 HydrophobicContact CE2-CG1 4.13Å; F123-V127 HydrophobicContact CE2-CG2 3.82Å; F123-V127 HydrophobicContact CG-CB 4.36Å; F123-V127 HydrophobicContact CG-CG2 4.2Å; F123-V127 HydrophobicContact CZ-CB 4.01Å; F123-V127 HydrophobicContact CZ-CG1 3.7Å; F123-V127 HydrophobicContact CZ-CG2 4.19Å; F123-V127 WeakPolarHBondContact O-CA 3.02Å; F123-V127 VanDerWaalsContact O-CB 3.24Å; F123-V127 WeakPolarHBondContact O-CB 3.3Å; F123-V127 PolarHBondContact O-N 2.94Å; F123-E128 HydrophobicContact CD1-CG 4.07Å; F123-E128 WeakPolarHBondContact CD1-OE1 3.4Å; F123-E128 HydrophobicContact CE1-CG 3.95Å; F123-Q332 HydrophobicContact CE2-CB 4.16Å; F123-Q332 HydrophobicContact CZ-CB 4.43Å; F123-F335 HydrophobicContact CB-CZ 4.11Å; F123-F335 HydrophobicContact CD2-CD1 4.45Å; F123-F335 AromaticContact CD2-CE1 3.58Å; F123-F335 HydrophobicContact CD2-CE1 3.58Å; F123-F335 AromaticContact CD2-CZ 3.89Å; F123-F335 HydrophobicContact CD2-CZ 3.89Å; F123-F335 HydrophobicContact CE2-CE1 4.33Å; F123-F335 HydrophobicContact CG-CE1 4.47Å; F123-F335 HydrophobicContact CG-CZ 4.5Å; F123-I455 HydrophobicContact CE1-CD1 3.92Å; F123-I455 HydrophobicContact CE1-CG1 4.32Å; F123-I455 HydrophobicContact CE1-CG2 3.7Å; F123-I455 HydrophobicContact CZ-CD1 4.21Å; F123-I455 HydrophobicContact CZ-CG1 4.31Å; F123-I455 HydrophobicContact CZ-CG2 4.13Å
124	G	97.9	Very high	96.7	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-64.8	-28.1	177.6	0	0	0	0	0	114.7	S121 E128 H129 G130	S121-G124 PolarHBondContact O-N 3.32Å; G124-E128 WeakPolarHBondContact CA-OE1 3.1Å; G124-E128 PolarHBondContact N-OE1 2.94Å; G124-H129 PolarHBondContact O-N 3.34Å; G124-G130 PolarHBondContact O-N 3.24Å; G124-G130 VanDerWaalsContact O-N 3.14Å
125	L	98.4	Very high	96.7	Very high	0 Å²	0	12 Å²	12	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-68	-49	173.7	-169.3	170.9	0	0	0	111.7	W95 F97 S121 M122 F123 G130 Y132 Y155	W95-L125 HydrophobicContact CB-CD1 4.28Å; W95-L125 HydrophobicContact CD2-CD1 3.78Å; W95-L125 HydrophobicContact CE3-CD1 3.64Å; W95-L125 HydrophobicContact CG-CD1 4.09Å; W95-L125 HydrophobicContact CZ3-CD1 4.15Å; F97-L125 HydrophobicContact CE2-CD1 3.5Å; F97-L125 HydrophobicContact CE2-CG 3.98Å; F97-L125 HydrophobicContact CZ-CD1 3.89Å; F97-L125 HydrophobicContact CZ-CD2 4.26Å; F97-L125 HydrophobicContact CZ-CG 4.21Å; S121-L125 PolarHBondContact O-N 3.23Å; M122-L125 HydrophobicContact CE-CD1 4.05Å; M122-L125 WeakPolarHBondContact O-CB 3.34Å; M122-L125 PolarHBondContact O-N 3.11Å; M122-L125 HydrophobicContact SD-CD1 3.91Å; F123-L125 PolarHBondContact O-N 3.09Å; L125-G130 CarbonylContact O-C 3.55Å; L125-G130 WeakPolarHBondContact O-CA 3.48Å; L125-G130 PolarHBondContact O-N 2.73Å; L125-Y132 HydrophobicContact CD2-CD2 3.83Å; L125-Y155 HydrophobicContact CB-CD1 3.95Å; L125-Y155 HydrophobicContact CB-CD2 4.36Å; L125-Y155 HydrophobicContact CB-CE1 3.95Å; L125-Y155 HydrophobicContact CB-CE2 4.34Å; L125-Y155 HydrophobicContact CB-CG 4.17Å; L125-Y155 HydrophobicContact CD1-CD2 4.11Å; L125-Y155 HydrophobicContact CD1-CG 4.29Å; L125-Y155 HydrophobicContact CG-CD2 4.22Å; L125-Y155 HydrophobicContact CG-CE2 4.18Å; L125-Y155 HydrophobicContact CG-CG 4.47Å
126	F	98.1	Very high	96.7	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.022	9%	0.09	C	C	.	.	I	π-helix	trans	-95.6	-26.3	-170.9	-71.5	-66	0	0	0	114.9	W95 M122 F123 Y132 V134 V140 R143 F335 F338 V339	W95-F126 AromaticContact CH2-CZ 3.82Å; W95-F126 HydrophobicContact CH2-CZ 3.82Å; W95-F126 HydrophobicContact CZ3-CE2 4.01Å; W95-F126 AromaticContact CZ3-CZ 3.73Å; W95-F126 HydrophobicContact CZ3-CZ 3.73Å; M122-F126 HydrophobicContact CB-CD2 4.19Å; M122-F126 HydrophobicContact CB-CE2 4.34Å; M122-F126 VanDerWaalsContact O-CD2 3.23Å; M122-F126 WeakPolarHBondContact O-CD2 3.46Å; M122-F126 PolarHBondContact O-N 3.19Å; F123-F126 PolarHBondContact O-N 3.39Å; F126-Y132 HydrophobicContact CD1-CD2 4.47Å; F126-Y132 AromaticContact CE1-CD2 3.93Å; F126-Y132 HydrophobicContact CE1-CD2 3.93Å; F126-Y132 HydrophobicContact CE1-CG 4.36Å; F126-V134 HydrophobicContact CB-CG2 3.89Å; F126-V134 HydrophobicContact CD1-CG2 3.48Å; F126-V134 VanDerWaalsContact CD1-CG2 3.48Å; F126-V134 HydrophobicContact CE1-CG2 4.25Å; F126-V134 HydrophobicContact CG-CG2 3.86Å; F126-V140 HydrophobicContact CD1-CG1 4.49Å; F126-V140 HydrophobicContact CE1-CG1 4.19Å; F126-R143 PolarHBondContact O-NH2 2.76Å; F126-F335 HydrophobicContact CB-CB 3.5Å; F126-F335 HydrophobicContact CB-CG 4.14Å; F126-F335 HydrophobicContact CD2-CB 3.84Å; F126-F335 HydrophobicContact CD2-CD2 4.14Å; F126-F335 HydrophobicContact CD2-CG 4.33Å; F126-F335 HydrophobicContact CG-CB 3.8Å; F126-F338 HydrophobicContact CE1-CD1 4.16Å; F126-F338 AromaticContact CE1-CE1 3.89Å; F126-F338 HydrophobicContact CE1-CE1 3.89Å; F126-F338 HydrophobicContact CZ-CD1 4.14Å; F126-F338 AromaticContact CZ-CE1 3.94Å; F126-F338 HydrophobicContact CZ-CE1 3.94Å; F126-V339 HydrophobicContact CD2-CG1 4.45Å; F126-V339 HydrophobicContact CE2-CG1 3.79Å; F126-V339 HydrophobicContact CZ-CG1 4.4Å
127	V	97.7	Very high	96.9	Very high	8 Å²	8	23 Å²	23	5%	0.048	11%	0.113	C	C	.	.	I	π-helix	trans	-102.8	-47	-174.1	-177.7	0	0	0	0	110.8	F123 R143 Q332 F335 I455 Y458	F123-V127 HydrophobicContact CD1-CB 4.21Å; F123-V127 HydrophobicContact CD2-CB 4.34Å; F123-V127 HydrophobicContact CD2-CG2 3.83Å; F123-V127 HydrophobicContact CE1-CB 4.03Å; F123-V127 HydrophobicContact CE1-CG1 3.98Å; F123-V127 HydrophobicContact CE2-CB 4.17Å; F123-V127 HydrophobicContact CE2-CG1 4.13Å; F123-V127 HydrophobicContact CE2-CG2 3.82Å; F123-V127 HydrophobicContact CG-CB 4.36Å; F123-V127 HydrophobicContact CG-CG2 4.2Å; F123-V127 HydrophobicContact CZ-CB 4.01Å; F123-V127 HydrophobicContact CZ-CG1 3.7Å; F123-V127 HydrophobicContact CZ-CG2 4.19Å; F123-V127 WeakPolarHBondContact O-CA 3.02Å; F123-V127 VanDerWaalsContact O-CB 3.24Å; F123-V127 WeakPolarHBondContact O-CB 3.3Å; F123-V127 PolarHBondContact O-N 2.94Å; V127-R143 VanDerWaalsContact O-CZ 3.28Å; V127-R143 PolarHBondContact O-NH1 3.48Å; V127-R143 PolarHBondContact O-NH2 3.13Å; V127-Q332 HydrophobicContact CG1-CB 4.08Å; V127-Q332 HydrophobicContact CG1-CG 3.72Å; V127-Q332 HydrophobicContact CG2-CB 4.5Å; V127-Q332 WeakPolarHBondContact CG2-O 3.46Å; V127-F335 HydrophobicContact CG2-CD1 3.87Å; V127-F335 HydrophobicContact CG2-CE1 4.3Å; V127-I455 HydrophobicContact CG1-CG2 4.46Å; V127-Y458 HydrophobicContact CG1-CD2 3.67Å; V127-Y458 HydrophobicContact CG1-CE2 4.28Å; V127-Y458 HydrophobicContact CG1-CG 4.29Å
128	E	98	Very high	97	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.005	12%	0.119	C	C	.	.	I	π-helix	trans	-89.6	-76.8	-167.1	-57.2	176.4	-111.6	0	0	113.3	W112 Q114 F123 G124 R143 I455 P457	W112-E128 WeakPolarHBondContact CZ2-OE1 3.4Å; W112-E128 WeakPolarHBondContact CZ2-OE2 3.41Å; Q114-E128 PolarHBondContact NE2-OE1 3.09Å; F123-E128 HydrophobicContact CD1-CG 4.07Å; F123-E128 WeakPolarHBondContact CD1-OE1 3.4Å; F123-E128 HydrophobicContact CE1-CG 3.95Å; G124-E128 WeakPolarHBondContact CA-OE1 3.1Å; G124-E128 PolarHBondContact N-OE1 2.94Å; E128-R143 PolarHBondContact O-NH1 3.35Å; E128-I455 HydrophobicContact CG-CG2 3.6Å; E128-P457 HydrophobicContact CB-CB 4Å; E128-P457 HydrophobicContact CB-CG 4.14Å
129	H	98.1	Very high	97.2	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-142.2	2.5	-163.2	62.5	79.7	0	0	0	114.6	W112 G124 S146 W147 Y155 P457	W112-H129 AromaticContact CD2-CE1 3.57Å; W112-H129 AromaticContact CD2-NE2 3.1Å; W112-H129 AromaticContact CE2-NE2 3.22Å; W112-H129 AromaticContact CE3-CE1 3.61Å; W112-H129 AromaticContact CE3-NE2 3.18Å; W112-H129 AromaticContact CG-CE1 3.92Å; W112-H129 AromaticContact CG-NE2 3.82Å; W112-H129 AromaticContact CH2-CD2 3.95Å; W112-H129 AromaticContact CH2-NE2 3.46Å; W112-H129 WeakPolarHBondContact CH2-NE2 3.47Å; W112-H129 AromaticContact CZ2-NE2 3.41Å; W112-H129 WeakPolarHBondContact CZ2-NE2 3.17Å; W112-H129 AromaticContact CZ3-NE2 3.36Å; W112-H129 WeakPolarHBondContact CZ3-NE2 3.34Å; W112-H129 AromaticContact NE1-NE2 3.93Å; G124-H129 PolarHBondContact O-N 3.34Å; H129-S146 VanDerWaalsContact O-CA 3.32Å; H129-S146 WeakPolarHBondContact O-CA 3.49Å; H129-S146 PolarHBondContact O-OG 2.68Å; H129-W147 HydrophobicContact CB-CD2 4.2Å; H129-W147 HydrophobicContact CB-CG 3.91Å; H129-W147 AromaticContact CE1-CD2 3.99Å; H129-W147 AromaticContact CE1-CE3 3.71Å; H129-W147 AromaticContact CG-CD2 3.8Å; H129-W147 AromaticContact CG-CE2 3.92Å; H129-W147 AromaticContact CG-CG 3.92Å; H129-W147 AromaticContact ND1-CD2 3.47Å; H129-W147 AromaticContact ND1-CE3 3.66Å; H129-W147 AromaticContact ND1-CG 3.58Å; H129-W147 PolarHBondContact O-N 3.37Å; H129-Y155 AromaticContact CE1-CE1 3.77Å; H129-Y155 AromaticContact CE1-CZ 3.94Å; H129-Y155 PolarHBondContact CE1-OH 3.13Å; H129-Y155 VanDerWaalsContact CE1-OH 3.31Å; H129-Y155 PolarHBondContact ND1-OH 2.84Å; H129-P457 HydrophobicContact CB-CB 3.86Å; H129-P457 HydrophobicContact CB-CG 4.48Å
130	G	98.1	Very high	97.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-67.7	176.7	169.2	0	0	0	0	0	112.7	G124 L125 Y132 R143 S146 Y155	G124-G130 PolarHBondContact O-N 3.24Å; G124-G130 VanDerWaalsContact O-N 3.14Å; L125-G130 CarbonylContact O-C 3.55Å; L125-G130 WeakPolarHBondContact O-CA 3.48Å; L125-G130 PolarHBondContact O-N 2.73Å; G130-Y132 PolarHBondContact O-N 2.93Å; G130-R143 WeakPolarHBondContact O-CD 3.24Å; G130-R143 PolarHBondContact O-NE 2.76Å; G130-R143 VanDerWaalsContact O-NE 3.15Å; G130-S146 PolarHBondContact O-OG 3.06Å; G130-Y155 WeakPolarHBondContact CA-OH 2.98Å; G130-Y155 PolarHBondContact N-OH 2.95Å
131	P	97.5	Very high	97.4	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.019	12%	0.124	C	C	.	.	S	Bend	trans	-72.4	-14.2	-170.5	24	-28.8	0	0	0	113.7	V75 F97 L142 R143 S146 T148	V75-P131 HydrophobicContact CB-CB 4.46Å; V75-P131 HydrophobicContact CG1-CB 4.41Å; V75-P131 HydrophobicContact CG1-CG 4.45Å; V75-P131 HydrophobicContact CG2-CB 3.99Å; F97-P131 HydrophobicContact CD1-CG 3.58Å; F97-P131 HydrophobicContact CE1-CG 3.43Å; F97-P131 VanDerWaalsContact CE1-CG 3.43Å; F97-P131 HydrophobicContact CG-CG 4.34Å; F97-P131 HydrophobicContact CZ-CG 4.09Å; P131-L142 WeakPolarHBondContact O-CA 3.41Å; P131-R143 PolarHBondContact O-N 3.34Å; P131-S146 WeakPolarHBondContact CA-OG 3.1Å; P131-T148 WeakPolarHBondContact CB-OG1 3.4Å; P131-T148 HydrophobicContact CG-CG2 4.39Å
132	Y	97.7	Very high	97.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	152.2	-170	-59	-58.6	0	0	0	112.7	L70 A73 V75 W95 F97 L125 F126 G130 V140 G141 L142 R143	L70-Y132 HydrophobicContact CD1-CD2 4.5Å; L70-Y132 HydrophobicContact CD1-CE2 3.81Å; A73-Y132 HydrophobicContact CB-CD1 4.48Å; A73-Y132 HydrophobicContact CB-CE1 4.34Å; V75-Y132 HydrophobicContact CB-CE1 4.18Å; V75-Y132 WeakPolarHBondContact CB-OH 3.49Å; V75-Y132 HydrophobicContact CG2-CE1 3.8Å; V75-Y132 PolarHBondContact N-OH 3.45Å; V75-Y132 PolarHBondContact O-OH 3.19Å; W95-Y132 HydrophobicContact CZ2-CE2 4.5Å; F97-Y132 HydrophobicContact CE1-CD2 4.48Å; F97-Y132 AromaticContact CE1-CE2 3.71Å; F97-Y132 HydrophobicContact CE1-CE2 3.71Å; F97-Y132 HydrophobicContact CZ-CD2 4.48Å; F97-Y132 AromaticContact CZ-CE2 3.91Å; F97-Y132 HydrophobicContact CZ-CE2 3.91Å; L125-Y132 HydrophobicContact CD2-CD2 3.83Å; F126-Y132 HydrophobicContact CD1-CD2 4.47Å; F126-Y132 AromaticContact CE1-CD2 3.93Å; F126-Y132 HydrophobicContact CE1-CD2 3.93Å; F126-Y132 HydrophobicContact CE1-CG 4.36Å; G130-Y132 PolarHBondContact O-N 2.93Å; Y132-V140 HydrophobicContact CD1-CB 4.06Å; Y132-V140 HydrophobicContact CD1-CG2 3.96Å; Y132-V140 HydrophobicContact CE1-CG2 4.24Å; Y132-V140 HydrophobicContact CG-CB 4.27Å; Y132-V140 HydrophobicContact CG-CG2 4.45Å; Y132-G141 CarbonylContact C-O 3.54Å; Y132-G141 VanDerWaalsContact CA-O 3.26Å; Y132-G141 WeakPolarHBondContact CA-O 3.46Å; Y132-L142 HydrophobicContact CD1-CD2 4.48Å; Y132-L142 HydrophobicContact CE1-CD2 4.47Å; Y132-R143 PolarHBondContact O-NE 2.73Å; Y132-R143 PolarHBondContact O-NH2 3.06Å
133	L	96.1	Very high	97.2	Very high	56 Å²	56	31.3 Å²	31.3	29%	0.293	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131	162.2	-76.7	161.3	0	0	0	107.5	V140 G141 R143	L133-V140 CarbonylContact O-C 3.54Å; L133-V140 VanDerWaalsContact O-CA 3.23Å; L133-V140 WeakPolarHBondContact O-CA 3.47Å; L133-G141 PolarHBondContact N-O 3.09Å; L133-G141 PolarHBondContact O-N 2.91Å; L133-R143 HydrophobicContact CD1-CB 4.33Å; L133-R143 HydrophobicContact CD1-CG 4.5Å; L133-R143 VanDerWaalsContact CD2-CZ 3.46Å; L133-R143 HydrophobicContact CG-CB 4.23Å; L133-R143 HydrophobicContact CG-CG 4.48Å
134	V	97.3	Very high	97.1	Very high	15 Å²	15	38.4 Å²	38.4	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	125	176.6	-173.9	0	0	0	0	108.9	F126 V140 F335 F338	F126-V134 HydrophobicContact CB-CG2 3.89Å; F126-V134 HydrophobicContact CD1-CG2 3.48Å; F126-V134 VanDerWaalsContact CD1-CG2 3.48Å; F126-V134 HydrophobicContact CE1-CG2 4.25Å; F126-V134 HydrophobicContact CG-CG2 3.86Å; V134-V140 HydrophobicContact CG2-CG1 4.03Å; V134-F335 HydrophobicContact CG2-CB 3.93Å; V134-F338 HydrophobicContact CG1-CB 3.76Å; V134-F338 HydrophobicContact CG1-CD2 4.39Å; V134-F338 HydrophobicContact CG1-CG 4.08Å; V134-F338 HydrophobicContact CG2-CD1 4.36Å; V134-F338 HydrophobicContact CG2-CG 4.47Å
135	Y	96.8	Very high	96.9	Very high	113 Å²	113	43.6 Å²	43.6	44%	0.443	21%	0.212	S	C	.	.			trans	-92.2	158.1	175.9	-59.8	-58.5	0	0	0	111.5	N137 M138 T139	Y135-N137 WeakPolarHBondContact CB-OD1 3.49Å; Y135-N137 PolarHBondContact O-N 2.67Å; Y135-M138 PolarHBondContact O-N 2.89Å; Y135-T139 PolarHBondContact N-O 3.28Å
136	K	95.5	Very high	96.8	Very high	131 Å²	131	43.8 Å²	43.8	57%	0.57	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-23.9	178.8	-168.2	167.1	-168.2	140.7	0	114.4	M138 E330 Y334	K136-M138 PolarHBondContact O-N 3.45Å; K136-E330 IonicContact NZ-OE1 3.27Å; K136-E330 PolarHBondContact NZ-OE1 3.48Å; K136-E330 IonicContact NZ-OE2 2.94Å; K136-E330 PolarHBondContact NZ-OE2 2.94Å; K136-Y334 HydrophobicContact CB-CD2 4.38Å; K136-Y334 HydrophobicContact CB-CE2 3.75Å; K136-Y334 HydrophobicContact CG-CE1 4.46Å; K136-Y334 HydrophobicContact CG-CE2 4.36Å
137	N	95.3	Very high	96.8	Very high	109 Å²	109	43.6 Å²	43.6	58%	0.583	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.7	8.9	175.7	72	-8.6	0	0	0	113.8	Y135 T139	Y135-N137 WeakPolarHBondContact CB-OD1 3.49Å; Y135-N137 PolarHBondContact O-N 2.67Å; N137-T139 VanDerWaalsContact C-N 3.33Å; N137-T139 VanDerWaalsContact CG-OG1 3.29Å; N137-T139 PolarHBondContact ND2-OG1 3.11Å; N137-T139 PolarHBondContact O-N 3.22Å; N137-T139 WeakPolarHBondContact OD1-CB 3.38Å; N137-T139 PolarHBondContact OD1-N 2.97Å; N137-T139 VanDerWaalsContact OD1-N 3.11Å; N137-T139 PolarHBondContact OD1-OG1 3.42Å
138	M	95.6	Very high	96.7	Very high	33 Å²	33	43.2 Å²	43.2	16%	0.163	21%	0.21	C	C	.	.	S	Bend	trans	61.2	37.5	-178.8	-57.3	-65.6	115.7	0	0	114	Y135 K136 Y334 Q337 F338 L341	Y135-M138 PolarHBondContact O-N 2.89Å; K136-M138 PolarHBondContact O-N 3.45Å; M138-Y334 HydrophobicContact CE-CG 4.39Å; M138-Q337 HydrophobicContact CE-CB 4.34Å; M138-Q337 HydrophobicContact SD-CB 3.7Å; M138-F338 WeakPolarHBondContact O-CD2 3.41Å; M138-F338 HydrophobicContact SD-CB 4.18Å; M138-L341 HydrophobicContact CB-CD1 4.03Å
139	T	97	Very high	96.5	Very high	39 Å²	39	44.3 Å²	44.3	24%	0.239	22%	0.218	C	C	.	.			trans	-118.6	160.2	167.6	65.6	0	0	0	0	110.1	P71 Y135 N137	P71-T139 HydrophobicContact CB-CG2 4.15Å; P71-T139 CarbonylContact O-C 3.59Å; P71-T139 WeakPolarHBondContact O-CA 3.46Å; P71-T139 WeakPolarHBondContact O-CB 3.36Å; Y135-T139 PolarHBondContact N-O 3.28Å; N137-T139 VanDerWaalsContact C-N 3.33Å; N137-T139 VanDerWaalsContact CG-OG1 3.29Å; N137-T139 PolarHBondContact ND2-OG1 3.11Å; N137-T139 PolarHBondContact O-N 3.22Å; N137-T139 WeakPolarHBondContact OD1-CB 3.38Å; N137-T139 PolarHBondContact OD1-N 2.97Å; N137-T139 VanDerWaalsContact OD1-N 3.11Å; N137-T139 PolarHBondContact OD1-OG1 3.42Å
140	V	97.9	Very high	96.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	138.2	176.7	-67.6	0	0	0	0	112.4	L70 P71 G72 A73 F126 Y132 L133 V134 F338	L70-V140 HydrophobicContact CB-CG2 4.08Å; L70-V140 HydrophobicContact CD1-CG2 4.49Å; P71-V140 WeakPolarHBondContact O-CG2 3.46Å; P71-V140 PolarHBondContact O-N 2.9Å; G72-V140 CarbonylContact C-O 3.52Å; G72-V140 WeakPolarHBondContact CA-O 3.39Å; A73-V140 HydrophobicContact CB-CG2 4.43Å; A73-V140 WeakPolarHBondContact CB-O 3.16Å; A73-V140 PolarHBondContact N-O 3.44Å; F126-V140 HydrophobicContact CD1-CG1 4.49Å; F126-V140 HydrophobicContact CE1-CG1 4.19Å; Y132-V140 HydrophobicContact CD1-CB 4.06Å; Y132-V140 HydrophobicContact CD1-CG2 3.96Å; Y132-V140 HydrophobicContact CE1-CG2 4.24Å; Y132-V140 HydrophobicContact CG-CB 4.27Å; Y132-V140 HydrophobicContact CG-CG2 4.45Å; L133-V140 CarbonylContact O-C 3.54Å; L133-V140 VanDerWaalsContact O-CA 3.23Å; L133-V140 WeakPolarHBondContact O-CA 3.47Å; V134-V140 HydrophobicContact CG2-CG1 4.03Å; V140-F338 HydrophobicContact CG1-CD1 4.34Å; V140-F338 HydrophobicContact CG1-CE1 3.72Å; V140-F338 HydrophobicContact CG1-CE2 3.92Å; V140-F338 HydrophobicContact CG1-CZ 3.48Å; V140-F338 VanDerWaalsContact CG1-CZ 3.48Å; V140-F338 HydrophobicContact CG2-CZ 4.34Å
141	G	97.6	Very high	96.1	Very high	8 Å²	8	49.1 Å²	49.1	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	174.3	166	0	0	0	0	0	111.7	Y132 L133	Y132-G141 CarbonylContact C-O 3.54Å; Y132-G141 VanDerWaalsContact CA-O 3.26Å; Y132-G141 WeakPolarHBondContact CA-O 3.46Å; L133-G141 PolarHBondContact N-O 3.09Å; L133-G141 PolarHBondContact O-N 2.91Å
142	L	97.3	Very high	96.1	Very high	99 Å²	99	49 Å²	49	52%	0.518	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	143.8	173.9	-62.9	178.3	0	0	0	110.8	A73 V75 P131 Y132	A73-L142 HydrophobicContact CB-CD2 3.83Å; A73-L142 HydrophobicContact CB-CG 3.97Å; V75-L142 HydrophobicContact CG2-CD2 3.66Å; P131-L142 WeakPolarHBondContact O-CA 3.41Å; Y132-L142 HydrophobicContact CD1-CD2 4.48Å; Y132-L142 HydrophobicContact CE1-CD2 4.47Å
143	R	95.9	Very high	96.1	Very high	30 Å²	30	48.9 Å²	48.9	11%	0.113	24%	0.235	C	C	.	.			trans	-91.2	136.2	175.4	-173.7	-179	-58.4	-91.7	-8.5	111.2	F126 V127 E128 G130 P131 Y132 L133	F126-R143 PolarHBondContact O-NH2 2.76Å; V127-R143 VanDerWaalsContact O-CZ 3.28Å; V127-R143 PolarHBondContact O-NH1 3.48Å; V127-R143 PolarHBondContact O-NH2 3.13Å; E128-R143 PolarHBondContact O-NH1 3.35Å; G130-R143 WeakPolarHBondContact O-CD 3.24Å; G130-R143 PolarHBondContact O-NE 2.76Å; G130-R143 VanDerWaalsContact O-NE 3.15Å; P131-R143 PolarHBondContact O-N 3.34Å; Y132-R143 PolarHBondContact O-NE 2.73Å; Y132-R143 PolarHBondContact O-NH2 3.06Å; L133-R143 HydrophobicContact CD1-CB 4.33Å; L133-R143 HydrophobicContact CD1-CG 4.5Å; L133-R143 VanDerWaalsContact CD2-CZ 3.46Å; L133-R143 HydrophobicContact CG-CB 4.23Å; L133-R143 HydrophobicContact CG-CG 4.48Å
144	D	94.5	Very high	96.3	Very high	150 Å²	150	46.2 Å²	46.2	80%	0.802	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-44.4	179.8	-64.8	-22.7	0	0	0	112.7
145	Y	95.3	Very high	96.3	Very high	109 Å²	109	45.5 Å²	45.5	43%	0.427	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	66.1	-179.3	-60.6	-83.1	0	0	0	111.3	P461 A462 F465	Y145-P461 HydrophobicContact CD2-CB 4.01Å; Y145-P461 HydrophobicContact CD2-CG 4.37Å; Y145-P461 HydrophobicContact CG-CB 4.28Å; Y145-A462 HydrophobicContact CD1-CB 4.08Å; Y145-A462 HydrophobicContact CD2-CB 4.34Å; Y145-A462 HydrophobicContact CE1-CB 3.64Å; Y145-A462 HydrophobicContact CE2-CB 3.94Å; Y145-A462 HydrophobicContact CG-CB 4.41Å; Y145-F465 HydrophobicContact CD1-CB 4.31Å
146	S	96.1	Very high	96.4	Very high	4 Å²	4	40.1 Å²	40.1	3%	0.028	20%	0.196	C	C	.	.			trans	-88.1	136.3	172.8	-176	0	0	0	0	111.8	H129 G130 P131 T148 S149 F465	H129-S146 VanDerWaalsContact O-CA 3.32Å; H129-S146 WeakPolarHBondContact O-CA 3.49Å; H129-S146 PolarHBondContact O-OG 2.68Å; G130-S146 PolarHBondContact O-OG 3.06Å; P131-S146 WeakPolarHBondContact CA-OG 3.1Å; S146-T148 PolarHBondContact O-N 2.91Å; S146-T148 PolarHBondContact OG-N 3.43Å; S146-T148 VanDerWaalsContact OG-N 3.15Å; S146-T148 PolarHBondContact OG-OG1 3.49Å; S146-S149 VanDerWaalsContact O-CB 3.27Å; S146-S149 WeakPolarHBondContact O-CB 3.24Å; S146-S149 PolarHBondContact O-N 3.31Å; S146-S149 VanDerWaalsContact O-N 3.1Å; S146-S149 PolarHBondContact O-OG 3.18Å; S146-F465 VanDerWaalsContact O-CE2 3.31Å; S146-F465 WeakPolarHBondContact O-CE2 3.46Å
147	W	96.6	Very high	96.6	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-59.9	-31.5	169.7	-71.7	18.5	0	0	0	111.8	L110 W112 H129 S149 R150 Y151 V153 F465 I468	L110-W147 HydrophobicContact CD1-CE3 3.85Å; L110-W147 HydrophobicContact CD1-CZ3 4.32Å; W112-W147 HydrophobicContact CE3-CH2 4.21Å; W112-W147 AromaticContact CE3-CZ3 3.89Å; W112-W147 HydrophobicContact CE3-CZ3 3.89Å; W112-W147 AromaticContact CZ3-CH2 3.76Å; W112-W147 HydrophobicContact CZ3-CH2 3.76Å; W112-W147 AromaticContact CZ3-CZ3 3.94Å; W112-W147 HydrophobicContact CZ3-CZ3 3.94Å; H129-W147 HydrophobicContact CB-CD2 4.2Å; H129-W147 HydrophobicContact CB-CG 3.91Å; H129-W147 AromaticContact CE1-CD2 3.99Å; H129-W147 AromaticContact CE1-CE3 3.71Å; H129-W147 AromaticContact CG-CD2 3.8Å; H129-W147 AromaticContact CG-CE2 3.92Å; H129-W147 AromaticContact CG-CG 3.92Å; H129-W147 AromaticContact ND1-CD2 3.47Å; H129-W147 AromaticContact ND1-CE3 3.66Å; H129-W147 AromaticContact ND1-CG 3.58Å; H129-W147 PolarHBondContact O-N 3.37Å; W147-S149 PolarHBondContact O-N 3.43Å; W147-S149 VanDerWaalsContact O-N 3.11Å; W147-R150 PolarHBondContact O-N 3.19Å; W147-Y151 PolarHBondContact O-N 3.05Å; W147-V153 HydrophobicContact CB-CG2 4.18Å; W147-F465 AromaticContact CD1-CD2 3.94Å; W147-I468 HydrophobicContact CD2-CG1 4.38Å; W147-I468 HydrophobicContact CD2-CG2 4.06Å; W147-I468 HydrophobicContact CE3-CG1 4.3Å; W147-I468 HydrophobicContact CG-CG2 4.3Å; W147-I468 HydrophobicContact CH2-CB 4.32Å; W147-I468 HydrophobicContact CH2-CD1 3.92Å; W147-I468 HydrophobicContact CH2-CG1 3.88Å; W147-I468 HydrophobicContact CZ2-CB 3.88Å; W147-I468 HydrophobicContact CZ2-CD1 4.34Å; W147-I468 HydrophobicContact CZ2-CG1 3.94Å; W147-I468 HydrophobicContact CZ2-CG2 4.01Å; W147-I468 HydrophobicContact CZ3-CD1 4.25Å; W147-I468 HydrophobicContact CZ3-CG1 4.07Å
148	T	95.8	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-66.7	-10.4	178.2	66.8	0	0	0	0	114	F97 A99 Q100 P131 S146 R150 Y151 V153	F97-T148 HydrophobicContact CB-CG2 3.65Å; F97-T148 HydrophobicContact CG-CG2 4.15Å; A99-T148 WeakPolarHBondContact CA-O 3.31Å; Q100-T148 WeakPolarHBondContact CG-O 3.25Å; Q100-T148 PolarHBondContact N-O 3.11Å; Q100-T148 PolarHBondContact NE2-OG1 2.94Å; P131-T148 WeakPolarHBondContact CB-OG1 3.4Å; P131-T148 HydrophobicContact CG-CG2 4.39Å; S146-T148 PolarHBondContact O-N 2.91Å; S146-T148 PolarHBondContact OG-N 3.43Å; S146-T148 VanDerWaalsContact OG-N 3.15Å; S146-T148 PolarHBondContact OG-OG1 3.49Å; T148-R150 VanDerWaalsContact C-N 3.32Å; T148-R150 PolarHBondContact O-N 3.44Å; T148-Y151 WeakPolarHBondContact CA-O 3.44Å; T148-V153 HydrophobicContact CG2-CB 4.03Å; T148-V153 HydrophobicContact CG2-CG2 3.82Å
149	S	93.8	Very high	96.8	Very high	24 Å²	24	27.4 Å²	27.4	17%	0.168	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-60.7	-42.8	173	62.6	0	0	0	0	111.6	Q100 M101 S146 W147 F465	Q100-S149 PolarHBondContact N-O 2.92Å; M101-S149 WeakPolarHBondContact CB-O 3.39Å; M101-S149 VanDerWaalsContact CG-O 3.24Å; M101-S149 WeakPolarHBondContact CG-O 3.48Å; M101-S149 PolarHBondContact N-O 3.3Å; S146-S149 VanDerWaalsContact O-CB 3.27Å; S146-S149 WeakPolarHBondContact O-CB 3.24Å; S146-S149 PolarHBondContact O-N 3.31Å; S146-S149 VanDerWaalsContact O-N 3.1Å; S146-S149 PolarHBondContact O-OG 3.18Å; W147-S149 PolarHBondContact O-N 3.43Å; W147-S149 VanDerWaalsContact O-N 3.11Å; S149-F465 WeakPolarHBondContact OG-CE2 3.45Å; S149-F465 WeakPolarHBondContact OG-CZ 3.34Å
150	R	92.9	Very high	96.8	Very high	95 Å²	95	25.7 Å²	25.7	36%	0.358	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-23	-174.9	-68	-176	68.6	179.9	-15.2	114.5	M101 W147 T148 F465 D469	M101-R150 HydrophobicContact SD-CG 3.99Å; W147-R150 PolarHBondContact O-N 3.19Å; T148-R150 VanDerWaalsContact C-N 3.32Å; T148-R150 PolarHBondContact O-N 3.44Å; R150-F465 HydrophobicContact CG-CZ 4.05Å; R150-D469 VanDerWaalsContact CZ-CG 3.45Å; R150-D469 IonicContact CZ-OD1 3.97Å; R150-D469 IonicContact CZ-OD2 3.17Å; R150-D469 VanDerWaalsContact CZ-OD2 3.29Å; R150-D469 IonicContact NE-OD1 3.38Å; R150-D469 PolarHBondContact NE-OD1 3.26Å; R150-D469 IonicContact NH1-OD1 3.29Å; R150-D469 PolarHBondContact NH1-OD1 3.28Å; R150-D469 IonicContact NH1-OD2 2.78Å; R150-D469 PolarHBondContact NH1-OD2 3.25Å; R150-D469 IonicContact NH2-OD1 3.7Å; R150-D469 PolarHBondContact NH2-OD1 2.87Å; R150-D469 VanDerWaalsContact NH2-OD1 3.13Å; R150-D469 IonicContact NH2-OD2 3.24Å; R150-D469 PolarHBondContact NH2-OD2 3.18Å
151	Y	95.7	Very high	96.7	Very high	8 Å²	8	25.7 Å²	25.7	3%	0.031	13%	0.125	C	C	.	.	S	Bend	trans	-119.4	151.1	-173.8	-56.1	-67.9	0	0	0	111.5	A99 P108 L110 W147 T148 D469 L472	A99-Y151 WeakPolarHBondContact CA-O 3.46Å; P108-Y151 HydrophobicContact CB-CD1 4.07Å; P108-Y151 HydrophobicContact CG-CD1 4.04Å; P108-Y151 HydrophobicContact CG-CE1 4.11Å; L110-Y151 HydrophobicContact CD1-CD2 4.17Å; L110-Y151 HydrophobicContact CD1-CG 3.88Å; L110-Y151 HydrophobicContact CG-CG 4.43Å; W147-Y151 PolarHBondContact O-N 3.05Å; T148-Y151 WeakPolarHBondContact CA-O 3.44Å; Y151-D469 PolarHBondContact OH-OD1 3.09Å; Y151-L472 HydrophobicContact CD1-CD1 3.68Å; Y151-L472 HydrophobicContact CD2-CD1 3.94Å; Y151-L472 HydrophobicContact CE1-CB 3.76Å; Y151-L472 HydrophobicContact CE1-CD1 3.45Å; Y151-L472 VanDerWaalsContact CE1-CD1 3.45Å; Y151-L472 HydrophobicContact CE1-CG 4.25Å; Y151-L472 HydrophobicContact CE2-CD1 3.74Å; Y151-L472 HydrophobicContact CG-CD1 3.92Å; Y151-L472 VanDerWaalsContact CZ-CD1 3.49Å
152	S	97.5	Very high	96.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	123.6	170.6	-58.6	0	0	0	0	108.1	F97 A99 P108 V109 L110 Y199	F97-S152 CarbonylContact O-C 3.44Å; F97-S152 WeakPolarHBondContact O-CA 3.41Å; A99-S152 PolarHBondContact N-OG 3Å; P108-S152 PolarHBondContact O-N 3.45Å; V109-S152 CarbonylContact C-O 3.57Å; V109-S152 VanDerWaalsContact CA-O 3.29Å; V109-S152 WeakPolarHBondContact CA-O 3.36Å; L110-S152 PolarHBondContact N-O 2.99Å; S152-Y199 WeakPolarHBondContact OG-CE1 3.46Å
153	V	98.5	Very high	96.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.5	-172.4	-168.7	0	0	0	0	110.7	F96 F97 L110 W112 W147 T148 Y155	F96-V153 WeakPolarHBondContact CA-O 3.43Å; F96-V153 WeakPolarHBondContact CD2-O 3.47Å; F97-V153 PolarHBondContact N-O 3.24Å; F97-V153 PolarHBondContact O-N 3.31Å; L110-V153 HydrophobicContact CB-CG2 4.48Å; L110-V153 CarbonylContact O-C 3.57Å; L110-V153 WeakPolarHBondContact O-CA 3.46Å; W112-V153 HydrophobicContact CB-CG1 4.18Å; W147-V153 HydrophobicContact CB-CG2 4.18Å; T148-V153 HydrophobicContact CG2-CB 4.03Å; T148-V153 HydrophobicContact CG2-CG2 3.82Å; V153-Y155 HydrophobicContact CB-CD2 4.5Å; V153-Y155 HydrophobicContact CB-CE2 3.81Å; V153-Y155 HydrophobicContact CG1-CD2 4.01Å; V153-Y155 HydrophobicContact CG1-CE1 4.14Å; V153-Y155 HydrophobicContact CG1-CE2 3.43Å; V153-Y155 VanDerWaalsContact CG1-CE2 3.43Å
154	L	98.8	Very high	96.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.8	176.1	174.9	62.1	0	0	0	108.9	F94 F96 L110 L111 W112 I156 L189 F192	F94-L154 HydrophobicContact CB-CD1 3.99Å; F94-L154 HydrophobicContact CD2-CD1 4.05Å; F94-L154 HydrophobicContact CG-CD1 4.42Å; F96-L154 HydrophobicContact CB-CD1 4.04Å; F96-L154 HydrophobicContact CD2-CB 4.06Å; F96-L154 HydrophobicContact CD2-CD1 4.45Å; L110-L154 PolarHBondContact O-N 3.25Å; L111-L154 CarbonylContact C-O 3.47Å; L111-L154 WeakPolarHBondContact CA-O 3.49Å; L111-L154 HydrophobicContact CD1-CD2 4.34Å; L111-L154 HydrophobicContact CD1-CG 4.28Å; W112-L154 PolarHBondContact N-O 3.17Å; L154-I156 HydrophobicContact CD1-CG1 4.23Å; L154-I156 HydrophobicContact CD2-CD1 3.99Å; L154-I156 HydrophobicContact CD2-CG1 4.35Å; L154-I156 HydrophobicContact CG-CD1 4.16Å; L154-I156 HydrophobicContact CG-CG1 3.95Å; L154-L189 HydrophobicContact CD2-CD2 3.98Å; L154-F192 HydrophobicContact CD1-CD2 3.88Å; L154-F192 HydrophobicContact CD1-CE2 3.97Å; L154-F192 HydrophobicContact CD2-CB 4.3Å; L154-F192 HydrophobicContact CD2-CD1 4.04Å; L154-F192 HydrophobicContact CD2-CD2 3.72Å; L154-F192 HydrophobicContact CD2-CE1 4.33Å; L154-F192 HydrophobicContact CD2-CE2 4.03Å; L154-F192 HydrophobicContact CD2-CG 3.72Å; L154-F192 HydrophobicContact CD2-CZ 4.33Å; L154-F192 HydrophobicContact CG-CD2 4.38Å; L154-F192 HydrophobicContact CG-CE2 4.42Å
155	Y	98.9	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.2	172.2	-61.1	-91.7	0	0	0	108.9	F94 W95 F97 W112 S121 L125 H129 G130 V153	F94-Y155 CarbonylContact C-O 3.59Å; F94-Y155 WeakPolarHBondContact CA-O 3.39Å; W95-Y155 PolarHBondContact N-O 2.89Å; W95-Y155 PolarHBondContact O-N 2.82Å; F97-Y155 AromaticContact CD2-CD2 3.92Å; F97-Y155 HydrophobicContact CD2-CD2 3.92Å; F97-Y155 AromaticContact CD2-CE2 3.93Å; F97-Y155 HydrophobicContact CD2-CE2 3.93Å; F97-Y155 HydrophobicContact CE2-CD2 4.14Å; F97-Y155 HydrophobicContact CE2-CE2 4.31Å; W112-Y155 HydrophobicContact CB-CD1 3.76Å; W112-Y155 HydrophobicContact CB-CE1 3.85Å; W112-Y155 HydrophobicContact CB-CG 4.48Å; W112-Y155 AromaticContact CD1-CD1 3.5Å; W112-Y155 VanDerWaalsContact CD1-CD1 3.5Å; W112-Y155 AromaticContact CD1-CE1 3.69Å; W112-Y155 AromaticContact CG-CD1 3.83Å; W112-Y155 HydrophobicContact CG-CD1 3.83Å; W112-Y155 AromaticContact CG-CE1 3.77Å; W112-Y155 HydrophobicContact CG-CE1 3.77Å; S121-Y155 WeakPolarHBondContact O-CD1 3.46Å; L125-Y155 HydrophobicContact CB-CD1 3.95Å; L125-Y155 HydrophobicContact CB-CD2 4.36Å; L125-Y155 HydrophobicContact CB-CE1 3.95Å; L125-Y155 HydrophobicContact CB-CE2 4.34Å; L125-Y155 HydrophobicContact CB-CG 4.17Å; L125-Y155 HydrophobicContact CD1-CD2 4.11Å; L125-Y155 HydrophobicContact CD1-CG 4.29Å; L125-Y155 HydrophobicContact CG-CD2 4.22Å; L125-Y155 HydrophobicContact CG-CE2 4.18Å; L125-Y155 HydrophobicContact CG-CG 4.47Å; H129-Y155 AromaticContact CE1-CE1 3.77Å; H129-Y155 AromaticContact CE1-CZ 3.94Å; H129-Y155 PolarHBondContact CE1-OH 3.13Å; H129-Y155 VanDerWaalsContact CE1-OH 3.31Å; H129-Y155 PolarHBondContact ND1-OH 2.84Å; G130-Y155 WeakPolarHBondContact CA-OH 2.98Å; G130-Y155 PolarHBondContact N-OH 2.95Å; V153-Y155 HydrophobicContact CB-CD2 4.5Å; V153-Y155 HydrophobicContact CB-CE2 3.81Å; V153-Y155 HydrophobicContact CG1-CD2 4.01Å; V153-Y155 HydrophobicContact CG1-CE1 4.14Å; V153-Y155 HydrophobicContact CG1-CE2 3.43Å; V153-Y155 VanDerWaalsContact CG1-CE2 3.43Å
156	I	98.8	Very high	96.9	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	126.3	175.3	-58.4	-176.6	0	0	0	109.1	L92 F94 L111 W112 L113 S121 L154 N158 L184 A188	L92-I156 HydrophobicContact CB-CG2 4.21Å; L92-I156 HydrophobicContact CD1-CG2 4.27Å; F94-I156 HydrophobicContact CB-CG1 4.28Å; L111-I156 HydrophobicContact CD1-CB 4.3Å; L111-I156 HydrophobicContact CD1-CD1 3.63Å; L111-I156 HydrophobicContact CD1-CG1 3.77Å; W112-I156 PolarHBondContact O-N 3.36Å; L113-I156 HydrophobicContact CD2-CB 4.24Å; S121-I156 WeakPolarHBondContact CB-O 3.22Å; S121-I156 PolarHBondContact OG-O 3.31Å; L154-I156 HydrophobicContact CD1-CG1 4.23Å; L154-I156 HydrophobicContact CD2-CD1 3.99Å; L154-I156 HydrophobicContact CD2-CG1 4.35Å; L154-I156 HydrophobicContact CG-CD1 4.16Å; L154-I156 HydrophobicContact CG-CG1 3.95Å; I156-N158 HydrophobicContact CG2-CB 4.25Å; I156-N158 PolarHBondContact O-N 3.09Å; I156-N158 VanDerWaalsContact O-N 3.08Å; I156-L184 HydrophobicContact CD1-CD2 4.29Å; I156-L184 HydrophobicContact CG2-CD2 4.19Å; I156-A188 HydrophobicContact CD1-CB 4.09Å
157	D	98.4	Very high	96.9	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	4%	0.041	C	C	.	.			trans	-71.2	101.4	168.3	-86	-15.3	0	0	0	108.9	L92 F93 T120 S121 T162 F164 S165	L92-D157 WeakPolarHBondContact CD2-O 3.38Å; F93-D157 HydrophobicContact CB-CB 4.34Å; F93-D157 PolarHBondContact O-N 3.23Å; T120-D157 WeakPolarHBondContact CA-OD1 3.39Å; T120-D157 WeakPolarHBondContact CB-OD1 2.9Å; T120-D157 PolarHBondContact OG1-OD1 3.27Å; T120-D157 PolarHBondContact OG1-OD2 3.07Å; S121-D157 PolarHBondContact N-OD1 3.22Å; D157-T162 HydrophobicContact CB-CG2 4.1Å; D157-T162 WeakPolarHBondContact CB-O 3.3Å; D157-F164 PolarHBondContact OD2-N 2.64Å; D157-S165 VanDerWaalsContact CB-OG 3.28Å; D157-S165 WeakPolarHBondContact CB-OG 3.4Å; D157-S165 WeakPolarHBondContact O-CB 3.42Å; D157-S165 PolarHBondContact O-OG 3.38Å
158	N	97	Very high	96.9	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.011	7%	0.072	C	C	.	.			trans	-129.3	144.8	-172.1	164.9	81.8	0	0	0	110.1	L113 I156 T162 L184 Y215	L113-N158 HydrophobicContact CD2-CB 3.95Å; I156-N158 HydrophobicContact CG2-CB 4.25Å; I156-N158 PolarHBondContact O-N 3.09Å; I156-N158 VanDerWaalsContact O-N 3.08Å; N158-T162 PolarHBondContact O-OG1 2.85Å; N158-L184 HydrophobicContact CB-CD2 4.11Å; N158-L184 WeakPolarHBondContact OD1-CG 3.47Å; N158-Y215 WeakPolarHBondContact ND2-CD2 3.23Å
159	P	97.7	Very high	96.9	Very high	4 Å²	4	16.4 Å²	16.4	3%	0.026	8%	0.083	C	C	.	.	S	Bend	cis	-70.9	-172.3	-11.9	-26.9	36.8	0	0	0	116.1	G161 T162 A174 V180 Y215 V361 L365	P159-G161 PolarHBondContact O-N 2.81Å; P159-T162 WeakPolarHBondContact O-CB 3.41Å; P159-T162 PolarHBondContact O-N 2.85Å; P159-T162 VanDerWaalsContact O-N 3.12Å; P159-T162 PolarHBondContact O-OG1 2.86Å; P159-A174 HydrophobicContact CB-CB 4.04Å; P159-A174 HydrophobicContact CG-CB 4.37Å; P159-V180 HydrophobicContact CB-CG2 4.44Å; P159-V180 HydrophobicContact CG-CG2 3.7Å; P159-Y215 WeakPolarHBondContact CD-OH 3.05Å; P159-Y215 HydrophobicContact CG-CE1 4.08Å; P159-V361 HydrophobicContact CB-CG1 4.27Å; P159-V361 HydrophobicContact CG-CG1 4.08Å; P159-L365 HydrophobicContact CG-CD1 4.08Å
160	V	97.4	Very high	97	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.012	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	126.6	169.7	170.8	0	0	0	0	109.4	V84 L92 F166 T167 F173 V361	V84-V160 HydrophobicContact CG2-CG2 3.67Å; L92-V160 HydrophobicContact CD2-CB 4.39Å; L92-V160 HydrophobicContact CD2-CG2 3.64Å; L92-V160 HydrophobicContact CG-CG2 4.19Å; V160-F166 WeakPolarHBondContact CG1-O 3.26Å; V160-T167 VanDerWaalsContact CG1-CB 3.5Å; V160-T167 HydrophobicContact CG1-CG2 3.7Å; V160-F173 VanDerWaalsContact O-CD1 3.31Å; V160-F173 WeakPolarHBondContact O-CD1 3.4Å; V160-V361 VanDerWaalsContact O-CG2 3.28Å; V160-V361 WeakPolarHBondContact O-CG2 3.48Å
161	G	95.4	Very high	97.1	Very high	4 Å²	4	22.5 Å²	22.5	4%	0.041	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	103.3	-4.4	-173.9	0	0	0	0	0	115.1	P159 S165 H356 V361	P159-G161 PolarHBondContact O-N 2.81Å; G161-S165 CarbonylContact C-O 3.51Å; G161-S165 WeakPolarHBondContact CA-O 3.39Å; G161-S165 PolarHBondContact N-O 3.49Å; G161-S165 VanDerWaalsContact N-O 3.12Å; G161-H356 WeakPolarHBondContact O-CB 3.38Å; G161-V361 VanDerWaalsContact C-CG2 3.45Å
162	T	96.8	Very high	97.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	134.6	175.7	-70.9	0	0	0	0	111.3	G118 G119 D157 N158 P159 F164 S165	G118-T162 VanDerWaalsContact CA-OG1 3.27Å; G118-T162 WeakPolarHBondContact CA-OG1 3.25Å; G118-T162 WeakPolarHBondContact O-CG2 3.41Å; G118-T162 PolarHBondContact O-OG1 2.92Å; G118-T162 VanDerWaalsContact O-OG1 3.13Å; G119-T162 VanDerWaalsContact O-CG2 3.32Å; G119-T162 WeakPolarHBondContact O-CG2 3.44Å; D157-T162 HydrophobicContact CB-CG2 4.1Å; D157-T162 WeakPolarHBondContact CB-O 3.3Å; N158-T162 PolarHBondContact O-OG1 2.85Å; P159-T162 WeakPolarHBondContact O-CB 3.41Å; P159-T162 PolarHBondContact O-N 2.85Å; P159-T162 VanDerWaalsContact O-N 3.12Å; P159-T162 PolarHBondContact O-OG1 2.86Å; T162-F164 PolarHBondContact O-N 3.13Å; T162-F164 VanDerWaalsContact O-N 3.12Å; T162-S165 WeakPolarHBondContact O-CA 3.39Å; T162-S165 VanDerWaalsContact O-CB 3.23Å; T162-S165 WeakPolarHBondContact O-CB 3.23Å; T162-S165 PolarHBondContact O-N 2.88Å
163	G	95.9	Very high	97.1	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	53.2	-119.7	172.4	0	0	0	0	0	112	F355 H356	G163-F355 CarbonylContact O-C 3.48Å; G163-F355 WeakPolarHBondContact O-CA 3.21Å; G163-H356 WeakPolarHBondContact CA-O 3.44Å; G163-H356 PolarHBondContact N-O 3.05Å; G163-H356 VanDerWaalsContact N-O 3.1Å; G163-H356 WeakPolarHBondContact O-CB 3.21Å; G163-H356 PolarHBondContact O-CD2 2.89Å; G163-H356 PolarHBondContact O-N 3.4Å
164	F	97.3	Very high	97.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-13	177	-72.3	-59.3	0	0	0	114.7	Y81 F93 D157 T162 V339 I348 V350 F355	Y81-F164 HydrophobicContact CE1-CB 4.37Å; Y81-F164 VanDerWaalsContact CE1-O 3.25Å; Y81-F164 WeakPolarHBondContact CE1-O 3.26Å; Y81-F164 PolarHBondContact OH-O 2.87Å; F93-F164 HydrophobicContact CB-CB 3.58Å; F93-F164 HydrophobicContact CD1-CB 3.87Å; F93-F164 AromaticContact CD1-CD2 3.86Å; F93-F164 HydrophobicContact CD1-CD2 3.86Å; F93-F164 HydrophobicContact CD1-CG 4.33Å; F93-F164 HydrophobicContact CD2-CB 4.11Å; F93-F164 AromaticContact CE1-CD2 3.84Å; F93-F164 HydrophobicContact CE1-CD2 3.84Å; F93-F164 HydrophobicContact CG-CB 3.58Å; F93-F164 HydrophobicContact CG-CD2 4.31Å; F93-F164 HydrophobicContact CG-CG 4.35Å; F93-F164 HydrophobicContact CZ-CD2 4.27Å; D157-F164 PolarHBondContact OD2-N 2.64Å; T162-F164 PolarHBondContact O-N 3.13Å; T162-F164 VanDerWaalsContact O-N 3.12Å; F164-V339 HydrophobicContact CE2-CB 4.17Å; F164-V339 HydrophobicContact CE2-CG2 4.49Å; F164-V339 HydrophobicContact CZ-CB 3.95Å; F164-V339 HydrophobicContact CZ-CG2 4.17Å; F164-I348 HydrophobicContact CD2-CD1 4.49Å; F164-I348 HydrophobicContact CE2-CD1 3.72Å; F164-I348 HydrophobicContact CZ-CD1 4.07Å; F164-V350 HydrophobicContact CB-CG1 4.16Å; F164-V350 HydrophobicContact CD1-CB 3.84Å; F164-V350 HydrophobicContact CD1-CG1 3.81Å; F164-V350 HydrophobicContact CD1-CG2 4.13Å; F164-V350 HydrophobicContact CD2-CG1 3.82Å; F164-V350 HydrophobicContact CE1-CB 3.97Å; F164-V350 HydrophobicContact CE1-CG1 4.14Å; F164-V350 HydrophobicContact CE1-CG2 3.72Å; F164-V350 HydrophobicContact CE2-CG1 4.14Å; F164-V350 HydrophobicContact CG-CB 4.21Å; F164-V350 HydrophobicContact CG-CG1 3.65Å; F164-V350 HydrophobicContact CZ-CB 4.43Å; F164-V350 HydrophobicContact CZ-CG1 4.29Å; F164-V350 HydrophobicContact CZ-CG2 3.93Å; F164-F355 HydrophobicContact CD1-CB 4.34Å; F164-F355 AromaticContact CD1-CD2 3.7Å; F164-F355 HydrophobicContact CD1-CD2 3.7Å; F164-F355 HydrophobicContact CD1-CG 4.49Å; F164-F355 AromaticContact CD2-CD2 3.81Å; F164-F355 HydrophobicContact CD2-CD2 3.81Å; F164-F355 AromaticContact CD2-CE2 3.88Å; F164-F355 HydrophobicContact CD2-CE2 3.88Å; F164-F355 HydrophobicContact CE1-CB 3.92Å; F164-F355 AromaticContact CE1-CD2 3.55Å; F164-F355 HydrophobicContact CE1-CD2 3.55Å; F164-F355 HydrophobicContact CE1-CE2 4.44Å; F164-F355 HydrophobicContact CE1-CG 4.1Å; F164-F355 AromaticContact CE2-CD2 3.69Å; F164-F355 HydrophobicContact CE2-CD2 3.69Å; F164-F355 AromaticContact CE2-CE2 3.76Å; F164-F355 HydrophobicContact CE2-CE2 3.76Å; F164-F355 AromaticContact CG-CD2 3.82Å; F164-F355 HydrophobicContact CG-CD2 3.82Å; F164-F355 HydrophobicContact CG-CE2 4.29Å; F164-F355 HydrophobicContact CZ-CB 4.46Å; F164-F355 AromaticContact CZ-CD2 3.55Å; F164-F355 HydrophobicContact CZ-CD2 3.55Å; F164-F355 HydrophobicContact CZ-CE2 4.06Å; F164-F355 HydrophobicContact CZ-CG 4.23Å
165	S	97.9	Very high	97	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.141	C	C	.	.			trans	-73.3	139.3	178.4	-61.1	0	0	0	0	111.5	N91 L92 F93 D157 G161 T162	N91-S165 WeakPolarHBondContact O-CA 3.17Å; N91-S165 WeakPolarHBondContact O-CB 3.48Å; L92-S165 WeakPolarHBondContact CA-OG 3.49Å; F93-S165 PolarHBondContact N-OG 2.94Å; D157-S165 VanDerWaalsContact CB-OG 3.28Å; D157-S165 WeakPolarHBondContact CB-OG 3.4Å; D157-S165 WeakPolarHBondContact O-CB 3.42Å; D157-S165 PolarHBondContact O-OG 3.38Å; G161-S165 CarbonylContact C-O 3.51Å; G161-S165 WeakPolarHBondContact CA-O 3.39Å; G161-S165 PolarHBondContact N-O 3.49Å; G161-S165 VanDerWaalsContact N-O 3.12Å; T162-S165 WeakPolarHBondContact O-CA 3.39Å; T162-S165 VanDerWaalsContact O-CB 3.23Å; T162-S165 WeakPolarHBondContact O-CB 3.23Å; T162-S165 PolarHBondContact O-N 2.88Å
166	F	97.3	Very high	96.9	Very high	17 Å²	17	31 Å²	31	8%	0.075	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-151.2	165.7	-171.8	72.7	-84.7	0	0	0	112.9	F48 Y81 S90 N91 V160 L353	F48-F166 HydrophobicContact CE1-CE1 4.01Å; F48-F166 AromaticContact CE1-CZ 3.8Å; F48-F166 HydrophobicContact CE1-CZ 3.8Å; F48-F166 HydrophobicContact CZ-CE1 4.25Å; F48-F166 AromaticContact CZ-CZ 3.87Å; F48-F166 HydrophobicContact CZ-CZ 3.87Å; Y81-F166 HydrophobicContact CD1-CE1 4.29Å; Y81-F166 HydrophobicContact CE1-CD1 4.24Å; Y81-F166 HydrophobicContact CE1-CE1 4.09Å; S90-F166 CarbonylContact C-O 3.59Å; S90-F166 WeakPolarHBondContact CA-O 3.43Å; N91-F166 HydrophobicContact CB-CD1 4.35Å; N91-F166 HydrophobicContact CB-CE1 3.91Å; N91-F166 HydrophobicContact CB-CZ 4.18Å; N91-F166 PolarHBondContact N-O 3.19Å; N91-F166 WeakPolarHBondContact ND2-CZ 3.39Å; N91-F166 PolarHBondContact O-N 3.2Å; V160-F166 WeakPolarHBondContact CG1-O 3.26Å; F166-L353 HydrophobicContact CD1-CD1 4.12Å; F166-L353 HydrophobicContact CE1-CD1 3.54Å; F166-L353 HydrophobicContact CE1-CD2 4.3Å; F166-L353 HydrophobicContact CZ-CD1 4.21Å; F166-L353 HydrophobicContact CZ-CD2 4.36Å
167	T	96.9	Very high	96.8	Very high	22 Å²	22	31.3 Å²	31.3	14%	0.135	15%	0.154	C	C	.	.			trans	-142.8	149.9	171.6	-178.1	0	0	0	0	108.8	Y88 S90 V160 D169 F173	Y88-T167 PolarHBondContact O-OG1 2.87Å; Y88-T167 VanDerWaalsContact O-OG1 3.07Å; S90-T167 PolarHBondContact OG-OG1 2.86Å; V160-T167 VanDerWaalsContact CG1-CB 3.5Å; V160-T167 HydrophobicContact CG1-CG2 3.7Å; T167-D169 WeakPolarHBondContact CG2-O 3.3Å; T167-D169 PolarHBondContact OG1-N 2.93Å; T167-D169 PolarHBondContact OG1-O 2.83Å; T167-F173 HydrophobicContact CG2-CD1 4.42Å; T167-F173 HydrophobicContact CG2-CD2 4.18Å; T167-F173 HydrophobicContact CG2-CE1 4.18Å; T167-F173 HydrophobicContact CG2-CE2 3.88Å; T167-F173 HydrophobicContact CG2-CG 4.41Å; T167-F173 HydrophobicContact CG2-CZ 3.87Å
168	D	95.6	Very high	96.8	Very high	121 Å²	121	34.8 Å²	34.8	65%	0.647	17%	0.172	S	C	*	.	S	Bend	trans	-90.6	-8.7	175.6	-67	-21	0	0	0	112.2	Y88 N89	Y88-D168 PolarHBondContact O-N 3.24Å; N89-D168 HydrophobicContact CB-CB 4.26Å; N89-D168 WeakPolarHBondContact CB-OD2 3.42Å; N89-D168 PolarHBondContact ND2-OD2 3.17Å
169	D	96.2	Very high	96.8	Very high	46 Å²	46	36.1 Å²	36.1	25%	0.246	18%	0.179	C	C	.	.	S	Bend	trans	-130.1	137.7	-179	-163.4	-64.2	0	0	0	111.1	Y88 T167 R171 G172	Y88-D169 HydrophobicContact CD1-CB 3.75Å; Y88-D169 HydrophobicContact CG-CB 4.03Å; T167-D169 WeakPolarHBondContact CG2-O 3.3Å; T167-D169 PolarHBondContact OG1-N 2.93Å; T167-D169 PolarHBondContact OG1-O 2.83Å; D169-R171 PolarHBondContact O-N 2.87Å; D169-R171 VanDerWaalsContact OD1-CB 3.31Å; D169-R171 WeakPolarHBondContact OD1-CB 3.2Å; D169-R171 WeakPolarHBondContact OD1-CG 3.48Å; D169-R171 IonicContact OD1-CZ 3.26Å; D169-R171 PolarHBondContact OD1-N 2.68Å; D169-R171 IonicContact OD1-NE 2.81Å; D169-R171 PolarHBondContact OD1-NE 3.03Å; D169-R171 IonicContact OD1-NH2 2.69Å; D169-R171 IonicContact OD2-CZ 3.06Å; D169-R171 IonicContact OD2-NE 3.74Å; D169-R171 PolarHBondContact OD2-NE 3.46Å; D169-R171 IonicContact OD2-NH2 2.96Å; D169-R171 PolarHBondContact OD2-NH2 3.43Å; D169-G172 PolarHBondContact O-N 3.37Å
170	D	95.7	Very high	96.8	Very high	89 Å²	89	36 Å²	36	48%	0.476	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-57	-31.3	178.4	-165.8	74.2	0	0	0	112.4	G172 F173 H364	D170-G172 PolarHBondContact O-N 2.85Å; D170-G172 VanDerWaalsContact O-N 3.1Å; D170-F173 VanDerWaalsContact O-CD2 3.25Å; D170-F173 WeakPolarHBondContact O-CD2 3.37Å; D170-F173 PolarHBondContact O-N 2.91Å; D170-H364 IonicContact OD1-CE1 3.31Å; D170-H364 PolarHBondContact OD1-CE1 2.89Å; D170-H364 VanDerWaalsContact OD1-CE1 3.3Å; D170-H364 IonicContact OD1-NE2 3.77Å; D170-H364 PolarHBondContact OD1-NE2 3.43Å; D170-H364 IonicContact OD2-NE2 3.45Å; D170-H364 PolarHBondContact OD2-NE2 2.86Å
171	R	95.9	Very high	96.8	Very high	157 Å²	157	35.9 Å²	35.9	59%	0.592	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-70.2	-6.2	175.8	-61.8	170.7	-69.4	174.7	-0.9	113.5	Y88 D169	Y88-R171 HydrophobicContact CD1-CB 4.47Å; Y88-R171 HydrophobicContact CD2-CB 4.3Å; Y88-R171 HydrophobicContact CE1-CB 4Å; Y88-R171 HydrophobicContact CE2-CB 3.8Å; Y88-R171 WeakPolarHBondContact CE2-O 3.45Å; D169-R171 PolarHBondContact O-N 2.87Å; D169-R171 VanDerWaalsContact OD1-CB 3.31Å; D169-R171 WeakPolarHBondContact OD1-CB 3.2Å; D169-R171 WeakPolarHBondContact OD1-CG 3.48Å; D169-R171 IonicContact OD1-CZ 3.26Å; D169-R171 PolarHBondContact OD1-N 2.68Å; D169-R171 IonicContact OD1-NE 2.81Å; D169-R171 PolarHBondContact OD1-NE 3.03Å; D169-R171 IonicContact OD1-NH2 2.69Å; D169-R171 IonicContact OD2-CZ 3.06Å; D169-R171 IonicContact OD2-NE 3.74Å; D169-R171 PolarHBondContact OD2-NE 3.46Å; D169-R171 IonicContact OD2-NH2 2.96Å; D169-R171 PolarHBondContact OD2-NH2 3.43Å
172	G	95.9	Very high	96.7	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-84.3	-12.1	173.6	0	0	0	0	0	114.4	D169 D170	D169-G172 PolarHBondContact O-N 3.37Å; D170-G172 PolarHBondContact O-N 2.85Å; D170-G172 VanDerWaalsContact O-N 3.1Å
173	F	97.5	Very high	96.7	Very high	32 Å²	32	40.6 Å²	40.6	14%	0.14	20%	0.196	C	C	.	.	S	Bend	trans	-74.6	140.4	174.8	-66.5	-77	0	0	0	111.3	V160 T167 D170 E360 V361 H364	V160-F173 VanDerWaalsContact O-CD1 3.31Å; V160-F173 WeakPolarHBondContact O-CD1 3.4Å; T167-F173 HydrophobicContact CG2-CD1 4.42Å; T167-F173 HydrophobicContact CG2-CD2 4.18Å; T167-F173 HydrophobicContact CG2-CE1 4.18Å; T167-F173 HydrophobicContact CG2-CE2 3.88Å; T167-F173 HydrophobicContact CG2-CG 4.41Å; T167-F173 HydrophobicContact CG2-CZ 3.87Å; D170-F173 VanDerWaalsContact O-CD2 3.25Å; D170-F173 WeakPolarHBondContact O-CD2 3.37Å; D170-F173 PolarHBondContact O-N 2.91Å; F173-E360 HydrophobicContact CE1-CB 3.8Å; F173-E360 HydrophobicContact CE2-CB 4.42Å; F173-E360 HydrophobicContact CZ-CB 3.75Å; F173-E360 HydrophobicContact CZ-CG 4.42Å; F173-V361 HydrophobicContact CD1-CG2 4.22Å; F173-V361 HydrophobicContact CE1-CG2 4.36Å; F173-H364 HydrophobicContact CB-CB 3.91Å; F173-H364 AromaticContact CD2-CE1 3.38Å; F173-H364 WeakPolarHBondContact CD2-CE1 3.39Å; F173-H364 AromaticContact CD2-ND1 3.7Å; F173-H364 AromaticContact CD2-NE2 3.79Å; F173-H364 AromaticContact CE2-CE1 3.94Å; F173-H364 AromaticContact CG-CE1 3.82Å; F173-H364 AromaticContact CG-CG 3.96Å; F173-H364 AromaticContact CG-ND1 3.64Å
174	A	97.4	Very high	96.7	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	20%	0.196	C	C	.	.			trans	-70	137.5	173.8	0	0	0	0	0	110.5	P159 D179 V180	P159-A174 HydrophobicContact CB-CB 4.04Å; P159-A174 HydrophobicContact CG-CB 4.37Å; A174-D179 HydrophobicContact CB-CB 3.74Å; A174-V180 HydrophobicContact CB-CG2 3.81Å
175	Q	96.8	Very high	96.5	Very high	104 Å²	104	41.1 Å²	41.1	49%	0.486	20%	0.197	S	C	.	.			trans	-110.2	-6.7	178.9	-60.4	-149.6	11.3	0	0	113.9	D179	Q175-D179 PolarHBondContact N-OD2 3.02Å
176	N	97.3	Very high	95.6	Very high	44 Å²	44	47.8 Å²	47.8	24%	0.235	22%	0.223	C	C	.	.	S	Bend	trans	-165.6	175.7	-178.9	54.8	67.9	0	0	0	110.9	D178 D179 V180 D368	N176-D178 VanDerWaalsContact C-N 3.29Å; N176-D178 PolarHBondContact O-N 3.31Å; N176-D178 WeakPolarHBondContact OD1-CA 3.5Å; N176-D178 VanDerWaalsContact OD1-CB 3.25Å; N176-D178 WeakPolarHBondContact OD1-CB 3.39Å; N176-D178 PolarHBondContact OD1-N 3.32Å; N176-D179 PolarHBondContact ND2-OD2 2.88Å; N176-D179 PolarHBondContact O-N 2.94Å; N176-D179 PolarHBondContact OD1-N 3.38Å; N176-V180 PolarHBondContact O-N 2.93Å; N176-D368 WeakPolarHBondContact CA-OD2 3.46Å
177	Q	97.6	Very high	94.8	Very high	6 Å²	6	48 Å²	48	3%	0.028	23%	0.227	C	C	.	.	H	α-helix	trans	-67.3	-21.3	179.2	-60.2	-51.4	-49.8	0	0	114.9	G181 K214 Y215 A218 D368 I373 W376	Q177-G181 PolarHBondContact O-N 3.23Å; Q177-K214 VanDerWaalsContact CD-CB 3.43Å; Q177-K214 HydrophobicContact CG-CB 3.94Å; Q177-K214 HydrophobicContact CG-CD 4.46Å; Q177-K214 VanDerWaalsContact OE1-C 3.27Å; Q177-K214 PolarHBondContact OE1-O 2.92Å; Q177-Y215 VanDerWaalsContact OE1-CD1 3.31Å; Q177-A218 HydrophobicContact CB-CB 3.97Å; Q177-A218 WeakPolarHBondContact O-CB 3.4Å; Q177-D368 WeakPolarHBondContact CG-OD1 3.25Å; Q177-D368 PolarHBondContact N-OD2 2.81Å; Q177-D368 PolarHBondContact NE2-OD1 2.95Å; Q177-I373 HydrophobicContact CB-CD1 4.03Å; Q177-I373 HydrophobicContact CG-CD1 3.94Å; Q177-W376 HydrophobicContact CB-CH2 4.06Å; Q177-W376 HydrophobicContact CB-CZ3 3.77Å
178	D	97.4	Very high	94.6	Very high	73 Å²	73	47 Å²	47	39%	0.39	22%	0.22	S	C	.	.	H	α-helix	trans	-69.7	-39.5	172.4	-77	-70.7	0	0	0	111.5	N176 R182 Y222	N176-D178 VanDerWaalsContact C-N 3.29Å; N176-D178 PolarHBondContact O-N 3.31Å; N176-D178 WeakPolarHBondContact OD1-CA 3.5Å; N176-D178 VanDerWaalsContact OD1-CB 3.25Å; N176-D178 WeakPolarHBondContact OD1-CB 3.39Å; N176-D178 PolarHBondContact OD1-N 3.32Å; D178-R182 VanDerWaalsContact O-CB 3.25Å; D178-R182 WeakPolarHBondContact O-CB 3.25Å; D178-R182 PolarHBondContact O-N 3.43Å; D178-Y222 VanDerWaalsContact CB-OH 3.31Å; D178-Y222 WeakPolarHBondContact CB-OH 3.22Å; D178-Y222 PolarHBondContact O-OH 2.94Å; D178-Y222 WeakPolarHBondContact OD1-CE2 3.33Å; D178-Y222 PolarHBondContact OD1-OH 2.91Å
179	D	97.1	Very high	94.6	Very high	30 Å²	30	41.2 Å²	41.2	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-62.4	-47.8	173.6	-68	-40.3	0	0	0	111.3	A174 Q175 N176 R182 D183	A174-D179 HydrophobicContact CB-CB 3.74Å; Q175-D179 PolarHBondContact N-OD2 3.02Å; N176-D179 PolarHBondContact ND2-OD2 2.88Å; N176-D179 PolarHBondContact O-N 2.94Å; N176-D179 PolarHBondContact OD1-N 3.38Å; D179-R182 PolarHBondContact O-N 2.81Å; D179-R182 IonicContact OD1-CZ 2.85Å; D179-R182 VanDerWaalsContact OD1-CZ 3.26Å; D179-R182 IonicContact OD1-NH1 3.45Å; D179-R182 PolarHBondContact OD1-NH1 3.45Å; D179-R182 IonicContact OD1-NH2 2.58Å; D179-R182 PolarHBondContact OD1-NH2 3.04Å; D179-D183 VanDerWaalsContact O-CG 3.31Å; D179-D183 PolarHBondContact O-N 3.19Å
180	V	97.3	Very high	94.5	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-61.1	-49.4	178	176.9	0	0	0	0	111.3	P159 A174 N176 R182 D183 L184 Y215	P159-V180 HydrophobicContact CB-CG2 4.44Å; P159-V180 HydrophobicContact CG-CG2 3.7Å; A174-V180 HydrophobicContact CB-CG2 3.81Å; N176-V180 PolarHBondContact O-N 2.93Å; V180-R182 VanDerWaalsContact C-N 3.3Å; V180-R182 PolarHBondContact O-N 3.32Å; V180-D183 PolarHBondContact O-N 3.27Å; V180-L184 HydrophobicContact CG1-CD1 3.65Å; V180-L184 HydrophobicContact CG1-CG 4.29Å; V180-L184 WeakPolarHBondContact O-CB 3.22Å; V180-L184 WeakPolarHBondContact O-CG 3.23Å; V180-L184 PolarHBondContact O-N 2.96Å; V180-Y215 HydrophobicContact CB-CD1 4.35Å; V180-Y215 HydrophobicContact CG1-CD1 3.7Å; V180-Y215 HydrophobicContact CG1-CE1 4.32Å; V180-Y215 HydrophobicContact CG1-CG 4.26Å; V180-Y215 HydrophobicContact CG2-CD1 4.14Å; V180-Y215 HydrophobicContact CG2-CE1 4.02Å
181	G	96.8	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.6	-40.9	178.3	0	0	0	0	0	112.1	Q177 Y185	Q177-G181 PolarHBondContact O-N 3.23Å; G181-Y185 WeakPolarHBondContact O-CB 3.24Å; G181-Y185 PolarHBondContact O-N 2.94Å
182	R	95.3	Very high	94.6	Very high	88 Å²	88	29.5 Å²	29.5	33%	0.332	14%	0.139	S	C	.	.	H	α-helix	trans	-62.6	-52	175.3	179.7	-167.1	60.3	-119.9	-2.8	111.6	D178 D179 V180 R186 Y222	D178-R182 VanDerWaalsContact O-CB 3.25Å; D178-R182 WeakPolarHBondContact O-CB 3.25Å; D178-R182 PolarHBondContact O-N 3.43Å; D179-R182 PolarHBondContact O-N 2.81Å; D179-R182 IonicContact OD1-CZ 2.85Å; D179-R182 VanDerWaalsContact OD1-CZ 3.26Å; D179-R182 IonicContact OD1-NH1 3.45Å; D179-R182 PolarHBondContact OD1-NH1 3.45Å; D179-R182 IonicContact OD1-NH2 2.58Å; D179-R182 PolarHBondContact OD1-NH2 3.04Å; V180-R182 VanDerWaalsContact C-N 3.3Å; V180-R182 PolarHBondContact O-N 3.32Å; R182-R186 HydrophobicContact CG-CG 4.41Å; R182-R186 WeakPolarHBondContact O-CA 3.42Å; R182-R186 WeakPolarHBondContact O-CB 3.17Å; R182-R186 PolarHBondContact O-N 2.96Å; R182-Y222 HydrophobicContact CB-CE1 4Å
183	D	96.1	Very high	94.6	Very high	15 Å²	15	29.5 Å²	29.5	8%	0.08	14%	0.137	C	C	.	.	I	π-helix	trans	-71.8	-39	-171.2	-64.7	-9.3	0	0	0	111.4	V84 D179 V180 S187 A188	V84-D183 HydrophobicContact CB-CB 4.4Å; V84-D183 HydrophobicContact CG2-CB 4.48Å; D179-D183 VanDerWaalsContact O-CG 3.31Å; D179-D183 PolarHBondContact O-N 3.19Å; V180-D183 PolarHBondContact O-N 3.27Å; D183-S187 VanDerWaalsContact O-CB 3.31Å; D183-S187 WeakPolarHBondContact O-CB 3.34Å; D183-S187 PolarHBondContact O-N 2.69Å; D183-A188 PolarHBondContact O-N 3.26Å
184	L	96.4	Very high	94.4	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-65.6	-54.2	173.1	-74	174.3	0	0	0	112.1	L92 L113 I156 N158 V180 A188 L189 V219	L92-L184 HydrophobicContact CD1-CD2 4.32Å; L113-L184 HydrophobicContact CD1-CD1 3.67Å; L113-L184 HydrophobicContact CD2-CD1 4.35Å; L113-L184 HydrophobicContact CD2-CD2 4.18Å; I156-L184 HydrophobicContact CD1-CD2 4.29Å; I156-L184 HydrophobicContact CG2-CD2 4.19Å; N158-L184 HydrophobicContact CB-CD2 4.11Å; N158-L184 WeakPolarHBondContact OD1-CG 3.47Å; V180-L184 HydrophobicContact CG1-CD1 3.65Å; V180-L184 HydrophobicContact CG1-CG 4.29Å; V180-L184 WeakPolarHBondContact O-CB 3.22Å; V180-L184 WeakPolarHBondContact O-CG 3.23Å; V180-L184 PolarHBondContact O-N 2.96Å; L184-A188 WeakPolarHBondContact O-CB 3.48Å; L184-A188 PolarHBondContact O-N 3.32Å; L184-L189 WeakPolarHBondContact O-CG 3.4Å; L184-L189 PolarHBondContact O-N 3.38Å; L184-V219 HydrophobicContact CB-CB 4.15Å; L184-V219 HydrophobicContact CB-CG2 3.71Å; L184-V219 HydrophobicContact CD1-CB 3.99Å; L184-V219 HydrophobicContact CD1-CG2 4.35Å
185	Y	91.6	Very high	94.4	Very high	10 Å²	10	31.5 Å²	31.5	4%	0.039	15%	0.147	C	C	.	.	I	π-helix	trans	-73	-57.9	-175.8	168.6	-106.2	0	0	0	112.2	G181 S187 T190 I223 N226 A230 I234	G181-Y185 WeakPolarHBondContact O-CB 3.24Å; G181-Y185 PolarHBondContact O-N 2.94Å; Y185-S187 VanDerWaalsContact C-N 3.29Å; Y185-S187 PolarHBondContact O-N 3.28Å; Y185-T190 WeakPolarHBondContact O-CG2 3.46Å; Y185-I223 HydrophobicContact CD2-CB 4.22Å; Y185-I223 HydrophobicContact CD2-CG1 3.41Å; Y185-I223 VanDerWaalsContact CD2-CG1 3.41Å; Y185-I223 HydrophobicContact CE2-CB 4.37Å; Y185-I223 HydrophobicContact CE2-CG1 3.93Å; Y185-I223 HydrophobicContact CG-CG1 4.25Å; Y185-N226 HydrophobicContact CD1-CB 4.21Å; Y185-N226 HydrophobicContact CE1-CB 3.26Å; Y185-N226 WeakPolarHBondContact OH-CB 3.25Å; Y185-A230 WeakPolarHBondContact OH-CB 3.4Å; Y185-I234 HydrophobicContact CD2-CD1 3.92Å; Y185-I234 HydrophobicContact CE2-CD1 3.8Å
186	R	78.8	Confident	94.3	Very high	140 Å²	140	26.6 Å²	26.6	53%	0.528	12%	0.124	S	C	.	.	I	π-helix	trans	-71.9	-26.4	-169.2	-64.4	-164.4	170.2	-176.1	-6.3	112.6	R182 T190 N226	R182-R186 HydrophobicContact CG-CG 4.41Å; R182-R186 WeakPolarHBondContact O-CA 3.42Å; R182-R186 WeakPolarHBondContact O-CB 3.17Å; R182-R186 PolarHBondContact O-N 2.96Å; R186-T190 VanDerWaalsContact C-OG1 3.32Å; R186-T190 PolarHBondContact O-OG1 2.97Å; R186-N226 PolarHBondContact NH2-OD1 3.19Å
187	S	82.2	Confident	94.2	Very high	23 Å²	23	27.2 Å²	27.2	16%	0.161	13%	0.13	C	C	.	.	I	π-helix	trans	-112.7	-56.9	-174.9	-53.9	0	0	0	0	112.4	V84 D183 Y185 T190 Q191	V84-S187 PolarHBondContact O-OG 2.88Å; D183-S187 VanDerWaalsContact O-CB 3.31Å; D183-S187 WeakPolarHBondContact O-CB 3.34Å; D183-S187 PolarHBondContact O-N 2.69Å; Y185-S187 VanDerWaalsContact C-N 3.29Å; Y185-S187 PolarHBondContact O-N 3.28Å; S187-T190 PolarHBondContact O-OG1 2.77Å; S187-T190 VanDerWaalsContact O-OG1 3.14Å; S187-Q191 VanDerWaalsContact O-CB 3.31Å; S187-Q191 WeakPolarHBondContact O-CB 3.3Å; S187-Q191 WeakPolarHBondContact O-CG 3.28Å; S187-Q191 PolarHBondContact O-N 3.24Å; S187-Q191 PolarHBondContact O-NE2 3Å
188	A	91.7	Very high	94	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.148	C	C	.	.	I	π-helix	trans	-73.7	-53.1	-172.7	0	0	0	0	0	113.1	F82 L92 I156 D183 L184 T190 Q191 F192	F82-A188 HydrophobicContact CD2-CB 4.23Å; L92-A188 HydrophobicContact CD1-CB 4.1Å; I156-A188 HydrophobicContact CD1-CB 4.09Å; D183-A188 PolarHBondContact O-N 3.26Å; L184-A188 WeakPolarHBondContact O-CB 3.48Å; L184-A188 PolarHBondContact O-N 3.32Å; A188-T190 PolarHBondContact O-N 2.99Å; A188-Q191 PolarHBondContact O-N 3.25Å; A188-F192 WeakPolarHBondContact O-CB 3.28Å; A188-F192 PolarHBondContact O-N 3.34Å
189	L	96.4	Very high	93.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	13%	0.134	C	C	.	.	I	π-helix	trans	-68.7	-37.6	-175.4	-68.4	-179.6	0	0	0	112.6	L111 L154 L184 Q191 F192 F193 F204 V219 I223 I234	L111-L189 HydrophobicContact CD2-CD1 4.48Å; L111-L189 HydrophobicContact CD2-CD2 4.4Å; L154-L189 HydrophobicContact CD2-CD2 3.98Å; L184-L189 WeakPolarHBondContact O-CG 3.4Å; L184-L189 PolarHBondContact O-N 3.38Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 2.74Å; L189-F192 PolarHBondContact O-N 2.9Å; L189-F193 WeakPolarHBondContact O-CD2 3.49Å; L189-F193 PolarHBondContact O-N 2.97Å; L189-F204 HydrophobicContact CD1-CE1 3.93Å; L189-F204 HydrophobicContact CD1-CZ 3.74Å; L189-F204 HydrophobicContact CD2-CE2 4.05Å; L189-F204 HydrophobicContact CD2-CZ 3.71Å; L189-F204 HydrophobicContact CG-CZ 4.4Å; L189-V219 HydrophobicContact CD1-CG2 3.69Å; L189-I223 HydrophobicContact CD1-CD1 3.96Å; L189-I234 HydrophobicContact CB-CD1 3.9Å; L189-I234 HydrophobicContact CD1-CD1 4.18Å
190	T	93.4	Very high	93.7	Very high	29 Å²	29	30.4 Å²	30.4	18%	0.178	14%	0.141	C	C	.	.	H	α-helix	trans	-60.6	-43.8	174.1	51.3	0	0	0	0	111.6	Y185 R186 S187 A188 Q194	Y185-T190 WeakPolarHBondContact O-CG2 3.46Å; R186-T190 VanDerWaalsContact C-OG1 3.32Å; R186-T190 PolarHBondContact O-OG1 2.97Å; S187-T190 PolarHBondContact O-OG1 2.77Å; S187-T190 VanDerWaalsContact O-OG1 3.14Å; A188-T190 PolarHBondContact O-N 2.99Å; T190-Q194 VanDerWaalsContact O-CG 3.28Å; T190-Q194 WeakPolarHBondContact O-CG 3.4Å; T190-Q194 PolarHBondContact O-N 2.81Å; T190-Q194 VanDerWaalsContact O-N 3.13Å
191	Q	95.5	Very high	93.6	Very high	17 Å²	17	34.5 Å²	34.5	8%	0.079	17%	0.167	C	C	.	.	H	α-helix	trans	-70.4	-36	176.7	-71.4	179.5	79.9	0	0	112.3	T50 L53 F82 T83 S187 A188 L189 Q194 L195	T50-Q191 VanDerWaalsContact CB-OE1 3.24Å; T50-Q191 PolarHBondContact OG1-OE1 3.3Å; L53-Q191 HydrophobicContact CD1-CB 3.72Å; L53-Q191 HydrophobicContact CD1-CG 4.06Å; F82-Q191 HydrophobicContact CD1-CB 3.4Å; F82-Q191 HydrophobicContact CD1-CG 4.29Å; F82-Q191 HydrophobicContact CE1-CB 3.56Å; F82-Q191 HydrophobicContact CG-CB 4.13Å; F82-Q191 HydrophobicContact CZ-CB 4.39Å; T83-Q191 PolarHBondContact O-NE2 2.62Å; T83-Q191 VanDerWaalsContact O-NE2 3.09Å; S187-Q191 VanDerWaalsContact O-CB 3.31Å; S187-Q191 WeakPolarHBondContact O-CB 3.3Å; S187-Q191 WeakPolarHBondContact O-CG 3.28Å; S187-Q191 PolarHBondContact O-N 3.24Å; S187-Q191 PolarHBondContact O-NE2 3Å; A188-Q191 PolarHBondContact O-N 3.25Å; L189-Q191 VanDerWaalsContact C-N 3.34Å; L189-Q191 PolarHBondContact O-N 2.74Å; Q191-Q194 WeakPolarHBondContact O-CB 3.27Å; Q191-Q194 PolarHBondContact O-N 2.89Å; Q191-L195 WeakPolarHBondContact O-CB 3.1Å; Q191-L195 PolarHBondContact O-N 3.08Å
192	F	97.5	Very high	93.6	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.5	-50.4	173.8	172	-98.8	0	0	0	111.6	F82 F96 V109 L154 A188 L189 Q194 L195 F196	F82-F192 HydrophobicContact CE2-CB 4.15Å; F82-F192 HydrophobicContact CZ-CB 3.98Å; F96-F192 HydrophobicContact CB-CE2 4.17Å; F96-F192 AromaticContact CD1-CE2 3.98Å; F96-F192 HydrophobicContact CD1-CE2 3.98Å; F96-F192 HydrophobicContact CD1-CZ 4.41Å; F96-F192 AromaticContact CD2-CE2 3.67Å; F96-F192 HydrophobicContact CD2-CE2 3.67Å; F96-F192 AromaticContact CD2-CZ 3.81Å; F96-F192 HydrophobicContact CD2-CZ 3.81Å; F96-F192 HydrophobicContact CE1-CE2 4.29Å; F96-F192 HydrophobicContact CE1-CZ 4.27Å; F96-F192 AromaticContact CE2-CE2 3.99Å; F96-F192 HydrophobicContact CE2-CE2 3.99Å; F96-F192 AromaticContact CE2-CZ 3.65Å; F96-F192 HydrophobicContact CE2-CZ 3.65Å; F96-F192 AromaticContact CG-CE2 3.67Å; F96-F192 HydrophobicContact CG-CE2 3.67Å; F96-F192 HydrophobicContact CG-CZ 4.2Å; F96-F192 HydrophobicContact CZ-CE2 4.29Å; F96-F192 AromaticContact CZ-CZ 3.9Å; F96-F192 HydrophobicContact CZ-CZ 3.9Å; V109-F192 HydrophobicContact CG1-CE1 4.01Å; V109-F192 HydrophobicContact CG1-CZ 4.17Å; L154-F192 HydrophobicContact CD1-CD2 3.88Å; L154-F192 HydrophobicContact CD1-CE2 3.97Å; L154-F192 HydrophobicContact CD2-CB 4.3Å; L154-F192 HydrophobicContact CD2-CD1 4.04Å; L154-F192 HydrophobicContact CD2-CD2 3.72Å; L154-F192 HydrophobicContact CD2-CE1 4.33Å; L154-F192 HydrophobicContact CD2-CE2 4.03Å; L154-F192 HydrophobicContact CD2-CG 3.72Å; L154-F192 HydrophobicContact CD2-CZ 4.33Å; L154-F192 HydrophobicContact CG-CD2 4.38Å; L154-F192 HydrophobicContact CG-CE2 4.42Å; A188-F192 WeakPolarHBondContact O-CB 3.28Å; A188-F192 PolarHBondContact O-N 3.34Å; L189-F192 PolarHBondContact O-N 2.9Å; F192-Q194 PolarHBondContact O-N 3.04Å; F192-L195 PolarHBondContact O-N 3.31Å; F192-L195 VanDerWaalsContact O-N 3.11Å; F192-F196 AromaticContact CD2-CD2 3.68Å; F192-F196 HydrophobicContact CD2-CD2 3.68Å; F192-F196 HydrophobicContact CD2-CE2 4.11Å; F192-F196 AromaticContact CE2-CD2 3.48Å; F192-F196 HydrophobicContact CE2-CD2 3.48Å; F192-F196 VanDerWaalsContact CE2-CD2 3.48Å; F192-F196 AromaticContact CE2-CE2 3.94Å; F192-F196 HydrophobicContact CE2-CE2 3.94Å; F192-F196 HydrophobicContact CE2-CG 4.35Å; F192-F196 HydrophobicContact CZ-CD2 4.19Å; F192-F196 PolarHBondContact O-N 3.21Å
193	F	96.1	Very high	93.6	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-71.5	-16.6	177.3	-70.7	-65.3	0	0	0	113.6	L189 F196 P197 Q200 F204 V232 I234	L189-F193 WeakPolarHBondContact O-CD2 3.49Å; L189-F193 PolarHBondContact O-N 2.97Å; F193-F196 CarbonylContact O-C 3.5Å; F193-P197 WeakPolarHBondContact O-CA 3.42Å; F193-Q200 HydrophobicContact CD1-CB 4.23Å; F193-F204 HydrophobicContact CE2-CD2 4.37Å; F193-F204 HydrophobicContact CZ-CB 4.4Å; F193-F204 AromaticContact CZ-CD2 3.82Å; F193-F204 HydrophobicContact CZ-CD2 3.82Å; F193-F204 HydrophobicContact CZ-CE2 4.4Å; F193-F204 HydrophobicContact CZ-CG 4.19Å; F193-V232 HydrophobicContact CB-CG1 3.95Å; F193-I234 HydrophobicContact CD2-CD1 4.17Å; F193-I234 HydrophobicContact CD2-CG1 3.83Å; F193-I234 HydrophobicContact CE2-CB 4.24Å; F193-I234 HydrophobicContact CE2-CD1 3.93Å; F193-I234 HydrophobicContact CE2-CG1 3.69Å; F193-I234 HydrophobicContact CE2-CG2 3.77Å; F193-I234 HydrophobicContact CZ-CG2 4.11Å
194	Q	94.4	Very high	93.7	Very high	78 Å²	78	33 Å²	33	36%	0.364	16%	0.164	S	C	.	.	H	α-helix	trans	-77.5	-36.5	167	-74.4	171.8	-7.8	0	0	112.4	L53 I58 T190 Q191 F192 P197	L53-Q194 HydrophobicContact CD2-CB 4.32Å; I58-Q194 VanDerWaalsContact CG2-O 3.29Å; I58-Q194 WeakPolarHBondContact CG2-O 3.07Å; T190-Q194 VanDerWaalsContact O-CG 3.28Å; T190-Q194 WeakPolarHBondContact O-CG 3.4Å; T190-Q194 PolarHBondContact O-N 2.81Å; T190-Q194 VanDerWaalsContact O-N 3.13Å; Q191-Q194 WeakPolarHBondContact O-CB 3.27Å; Q191-Q194 PolarHBondContact O-N 2.89Å; F192-Q194 PolarHBondContact O-N 3.04Å; Q194-P197 WeakPolarHBondContact O-CD 3.3Å
195	L	96	Very high	93.9	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-72.4	-34.6	177.1	-175	57.9	0	0	0	111.6	V49 L53 A61 R62 F82 F94 Q191 F192 P197	V49-L195 HydrophobicContact CG1-CD2 4.42Å; V49-L195 HydrophobicContact CG2-CD2 4.37Å; L53-L195 HydrophobicContact CD2-CB 4.1Å; L53-L195 HydrophobicContact CD2-CD1 4.11Å; A61-L195 HydrophobicContact CB-CD1 3.57Å; R62-L195 HydrophobicContact CB-CD1 4.12Å; R62-L195 PolarHBondContact NE-O 2.98Å; R62-L195 PolarHBondContact NH2-O 3.32Å; F82-L195 HydrophobicContact CE1-CD2 4.35Å; F82-L195 HydrophobicContact CZ-CD2 4.35Å; F94-L195 HydrophobicContact CE2-CD2 4.38Å; F94-L195 HydrophobicContact CZ-CD2 3.76Å; Q191-L195 WeakPolarHBondContact O-CB 3.1Å; Q191-L195 PolarHBondContact O-N 3.08Å; F192-L195 PolarHBondContact O-N 3.31Å; F192-L195 VanDerWaalsContact O-N 3.11Å; L195-P197 VanDerWaalsContact C-CD 3.45Å
196	F	95.9	Very high	94.2	Very high	1 Å²	1	32.9 Å²	32.9	0%	0.004	16%	0.163	C	C	.	.			trans	-129	60.4	-177.3	-56.6	-77.1	0	0	0	112.7	R62 Y78 F94 F96 F192 F193 E198 Y199	R62-F196 HydrophobicContact CG-CD1 4.3Å; R62-F196 HydrophobicContact CG-CE1 3.76Å; Y78-F196 HydrophobicContact CD1-CE1 4.13Å; Y78-F196 HydrophobicContact CD1-CZ 4.11Å; Y78-F196 AromaticContact CD2-CE1 3.91Å; Y78-F196 HydrophobicContact CD2-CE1 3.91Å; Y78-F196 AromaticContact CD2-CZ 3.97Å; Y78-F196 HydrophobicContact CD2-CZ 3.97Å; Y78-F196 HydrophobicContact CE1-CE1 4.38Å; Y78-F196 HydrophobicContact CE2-CE1 4.18Å; Y78-F196 AromaticContact CG-CE1 3.89Å; Y78-F196 HydrophobicContact CG-CE1 3.89Å; Y78-F196 AromaticContact CG-CZ 3.65Å; Y78-F196 HydrophobicContact CG-CZ 3.65Å; F94-F196 HydrophobicContact CE2-CE2 4.36Å; F96-F196 HydrophobicContact CD1-CD1 4.49Å; F96-F196 HydrophobicContact CD1-CD2 4.28Å; F96-F196 HydrophobicContact CD1-CE1 4.2Å; F96-F196 AromaticContact CD1-CE2 3.97Å; F96-F196 HydrophobicContact CD1-CE2 3.97Å; F96-F196 AromaticContact CD1-CZ 3.95Å; F96-F196 HydrophobicContact CD1-CZ 3.95Å; F96-F196 HydrophobicContact CE1-CD1 4.38Å; F96-F196 HydrophobicContact CE1-CE1 4.46Å; F96-F196 HydrophobicContact CE1-CG 4.44Å; F192-F196 AromaticContact CD2-CD2 3.68Å; F192-F196 HydrophobicContact CD2-CD2 3.68Å; F192-F196 HydrophobicContact CD2-CE2 4.11Å; F192-F196 AromaticContact CE2-CD2 3.48Å; F192-F196 HydrophobicContact CE2-CD2 3.48Å; F192-F196 VanDerWaalsContact CE2-CD2 3.48Å; F192-F196 AromaticContact CE2-CE2 3.94Å; F192-F196 HydrophobicContact CE2-CE2 3.94Å; F192-F196 HydrophobicContact CE2-CG 4.35Å; F192-F196 HydrophobicContact CZ-CD2 4.19Å; F192-F196 PolarHBondContact O-N 3.21Å; F193-F196 CarbonylContact O-C 3.5Å; F196-E198 PolarHBondContact O-N 3.24Å; F196-E198 VanDerWaalsContact O-N 3.11Å; F196-Y199 HydrophobicContact CB-CD2 3.75Å; F196-Y199 HydrophobicContact CB-CE2 4.35Å; F196-Y199 PolarHBondContact O-N 3Å
197	P	94.4	Very high	95.2	Very high	56 Å²	56	26.2 Å²	26.2	36%	0.364	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-55.7	-27.1	-179.1	21.7	-37.1	0	0	0	114.5	F193 Q194 L195 Y199 Q200	F193-P197 WeakPolarHBondContact O-CA 3.42Å; Q194-P197 WeakPolarHBondContact O-CD 3.3Å; L195-P197 VanDerWaalsContact C-CD 3.45Å; P197-Y199 PolarHBondContact O-N 3.12Å; P197-Q200 VanDerWaalsContact O-CB 3.23Å; P197-Q200 WeakPolarHBondContact O-CB 3.42Å; P197-Q200 PolarHBondContact O-N 2.92Å
198	E	93.9	Very high	95.9	Very high	86 Å²	86	25.1 Å²	25.1	40%	0.402	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-61.7	-21.5	176.7	63.5	-90.1	-146.4	0	0	113.6	R62 F196 P201	R62-E198 IonicContact CZ-OE1 2.67Å; R62-E198 IonicContact CZ-OE2 3.29Å; R62-E198 VanDerWaalsContact CZ-OE2 3.24Å; R62-E198 IonicContact NE-OE1 3.82Å; R62-E198 VanDerWaalsContact NH1-CD 3.28Å; R62-E198 IonicContact NH1-OE1 2.71Å; R62-E198 PolarHBondContact NH1-OE1 2.92Å; R62-E198 IonicContact NH1-OE2 3.17Å; R62-E198 PolarHBondContact NH1-OE2 3.36Å; R62-E198 IonicContact NH2-OE1 3.61Å; R62-E198 IonicContact NH2-OE2 3.13Å; R62-E198 PolarHBondContact NH2-OE2 2.86Å; F196-E198 PolarHBondContact O-N 3.24Å; F196-E198 VanDerWaalsContact O-N 3.11Å; E198-P201 WeakPolarHBondContact O-CD 3.3Å
199	Y	95.1	Very high	96.2	Very high	26 Å²	26	25.1 Å²	25.1	10%	0.102	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-93.3	-6	176.5	-68.5	-88.3	0	0	0	113.6	F96 P98 V109 S152 F196 P197 P201 N202	F96-Y199 HydrophobicContact CE1-CD2 4.37Å; F96-Y199 AromaticContact CE1-CE2 3.81Å; F96-Y199 HydrophobicContact CE1-CE2 3.81Å; F96-Y199 AromaticContact CE1-CZ 3.92Å; F96-Y199 HydrophobicContact CZ-CD1 4.26Å; F96-Y199 HydrophobicContact CZ-CD2 4.29Å; F96-Y199 AromaticContact CZ-CE1 3.93Å; F96-Y199 HydrophobicContact CZ-CE1 3.93Å; F96-Y199 AromaticContact CZ-CE2 3.93Å; F96-Y199 HydrophobicContact CZ-CE2 3.93Å; F96-Y199 HydrophobicContact CZ-CG 4.42Å; F96-Y199 AromaticContact CZ-CZ 3.74Å; P98-Y199 WeakPolarHBondContact CB-OH 3.25Å; V109-Y199 HydrophobicContact CG2-CD1 3.67Å; V109-Y199 HydrophobicContact CG2-CG 4.14Å; S152-Y199 WeakPolarHBondContact OG-CE1 3.46Å; F196-Y199 HydrophobicContact CB-CD2 3.75Å; F196-Y199 HydrophobicContact CB-CE2 4.35Å; F196-Y199 PolarHBondContact O-N 3Å; P197-Y199 PolarHBondContact O-N 3.12Å; Y199-P201 VanDerWaalsContact C-CD 3.42Å; Y199-N202 WeakPolarHBondContact O-CB 3.39Å; Y199-N202 PolarHBondContact O-N 2.92Å
200	Q	94.1	Very high	96.3	Very high	65 Å²	65	25.6 Å²	25.6	30%	0.304	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.3	176.9	-166	-178.2	20.2	0	0	114.4	F193 P197 N202 K233	F193-Q200 HydrophobicContact CD1-CB 4.23Å; P197-Q200 VanDerWaalsContact O-CB 3.23Å; P197-Q200 WeakPolarHBondContact O-CB 3.42Å; P197-Q200 PolarHBondContact O-N 2.92Å; Q200-N202 VanDerWaalsContact C-N 3.27Å; Q200-N202 PolarHBondContact O-N 3.32Å; Q200-K233 WeakPolarHBondContact CG-O 3.35Å; Q200-K233 PolarHBondContact NE2-O 3.14Å
201	P	94.9	Very high	96.6	Very high	86 Å²	86	24.4 Å²	24.4	56%	0.558	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.2	175.8	29.2	-34.9	0	0	0	113.4	E198 Y199 N235	E198-P201 WeakPolarHBondContact O-CD 3.3Å; Y199-P201 VanDerWaalsContact C-CD 3.42Å; P201-N235 PolarHBondContact O-ND2 2.88Å
202	N	95.7	Very high	96.7	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	12%	0.122	C	C	.	.	S	Bend	trans	-68.5	149.2	-175.7	-60	29.3	0	0	0	110.4	D105 A107 V109 Y199 Q200 F204 N235	D105-N202 PolarHBondContact O-ND2 3.38Å; D105-N202 PolarHBondContact O-OD1 3.5Å; D105-N202 VanDerWaalsContact O-OD1 3.1Å; A107-N202 PolarHBondContact O-ND2 2.79Å; V109-N202 HydrophobicContact CG2-CB 4.19Å; Y199-N202 WeakPolarHBondContact O-CB 3.39Å; Y199-N202 PolarHBondContact O-N 2.92Å; Q200-N202 VanDerWaalsContact C-N 3.27Å; Q200-N202 PolarHBondContact O-N 3.32Å; N202-F204 PolarHBondContact O-N 3.04Å; N202-N235 WeakPolarHBondContact O-CB 3.4Å
203	E	96.6	Very high	96.7	Very high	68 Å²	68	23.6 Å²	23.6	32%	0.318	12%	0.122	S	C	.	.			trans	-61.4	130	174.5	-59.6	-161.2	144.1	0	0	110.4	P108 V109 Y205 K237	P108-E203 CarbonylContact C-O 3.48Å; P108-E203 VanDerWaalsContact CA-O 3.25Å; P108-E203 WeakPolarHBondContact CA-O 3.28Å; P108-E203 HydrophobicContact CB-CB 4.25Å; P108-E203 HydrophobicContact CG-CB 4.37Å; V109-E203 PolarHBondContact N-O 3.01Å; E203-Y205 HydrophobicContact CB-CD2 4.36Å; E203-Y205 HydrophobicContact CB-CE2 3.64Å; E203-Y205 PolarHBondContact OE2-OH 3.29Å; E203-K237 HydrophobicContact CB-CG 3.67Å; E203-K237 HydrophobicContact CG-CG 3.77Å; E203-K237 WeakPolarHBondContact OE1-CE 3.08Å
204	F	98.2	Very high	96.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	130.9	178.9	-178.9	-102.6	0	0	0	110.5	V109 L111 L189 F193 N202 I223 I234 N235 F236 K237	V109-F204 HydrophobicContact CB-CD2 4.04Å; V109-F204 HydrophobicContact CG1-CD2 3.91Å; V109-F204 HydrophobicContact CG1-CE2 4.17Å; V109-F204 WeakPolarHBondContact O-CA 3.35Å; V109-F204 WeakPolarHBondContact O-CD2 3.44Å; L111-F204 HydrophobicContact CB-CE2 3.9Å; L111-F204 HydrophobicContact CB-CZ 3.6Å; L111-F204 HydrophobicContact CD2-CZ 4.23Å; L189-F204 HydrophobicContact CD1-CE1 3.93Å; L189-F204 HydrophobicContact CD1-CZ 3.74Å; L189-F204 HydrophobicContact CD2-CE2 4.05Å; L189-F204 HydrophobicContact CD2-CZ 3.71Å; L189-F204 HydrophobicContact CG-CZ 4.4Å; F193-F204 HydrophobicContact CE2-CD2 4.37Å; F193-F204 HydrophobicContact CZ-CB 4.4Å; F193-F204 AromaticContact CZ-CD2 3.82Å; F193-F204 HydrophobicContact CZ-CD2 3.82Å; F193-F204 HydrophobicContact CZ-CE2 4.4Å; F193-F204 HydrophobicContact CZ-CG 4.19Å; N202-F204 PolarHBondContact O-N 3.04Å; F204-I223 HydrophobicContact CD1-CD1 4.2Å; F204-I223 HydrophobicContact CE1-CD1 3.72Å; F204-I234 HydrophobicContact CB-CG2 3.74Å; F204-I234 HydrophobicContact CD1-CG2 3.45Å; F204-I234 VanDerWaalsContact CD1-CG2 3.45Å; F204-I234 HydrophobicContact CE1-CG2 4.25Å; F204-I234 HydrophobicContact CG-CG2 3.67Å; F204-N235 PolarHBondContact N-O 2.85Å; F204-F236 AromaticContact CD1-CD2 3.74Å; F204-F236 HydrophobicContact CD1-CD2 3.74Å; F204-F236 HydrophobicContact CD1-CE2 4.49Å; F204-F236 HydrophobicContact CE1-CD2 4.29Å; F204-F236 WeakPolarHBondContact O-CA 3.43Å; F204-F236 WeakPolarHBondContact O-CD2 3.31Å; F204-K237 PolarHBondContact O-N 2.95Å
205	Y	98.6	Very high	97.1	Very high	7 Å²	7	19.7 Å²	19.7	3%	0.027	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.7	174.6	-61.6	-101.2	0	0	0	110.7	P108 V109 L110 L111 E203 K237 G238 F471 L472	P108-Y205 HydrophobicContact CB-CD2 4.2Å; P108-Y205 HydrophobicContact CB-CE2 4.14Å; V109-Y205 PolarHBondContact O-N 2.92Å; L110-Y205 WeakPolarHBondContact CA-O 3.22Å; L110-Y205 HydrophobicContact CD2-CD2 3.99Å; L110-Y205 HydrophobicContact CD2-CG 4.19Å; L111-Y205 PolarHBondContact N-O 3Å; E203-Y205 HydrophobicContact CB-CD2 4.36Å; E203-Y205 HydrophobicContact CB-CE2 3.64Å; E203-Y205 PolarHBondContact OE2-OH 3.29Å; Y205-K237 HydrophobicContact CD1-CB 4.3Å; Y205-K237 HydrophobicContact CE1-CB 3.63Å; Y205-K237 HydrophobicContact CE2-CB 3.91Å; Y205-K237 HydrophobicContact CE2-CG 4.39Å; Y205-K237 WeakPolarHBondContact OH-CB 3.18Å; Y205-G238 WeakPolarHBondContact CA-O 2.98Å; Y205-F471 AromaticContact CD1-CE1 3.84Å; Y205-F471 HydrophobicContact CD1-CE1 3.84Å; Y205-F471 HydrophobicContact CD1-CZ 4.27Å; Y205-F471 HydrophobicContact CE1-CE1 4.1Å; Y205-F471 HydrophobicContact CE1-CZ 4.36Å; Y205-L472 HydrophobicContact CD1-CD2 3.75Å; Y205-L472 HydrophobicContact CD2-CD2 3.51Å; Y205-L472 HydrophobicContact CE1-CD2 3.82Å; Y205-L472 HydrophobicContact CE2-CD2 3.56Å; Y205-L472 HydrophobicContact CG-CD2 3.61Å
206	A	98.8	Very high	97.2	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	123	171.9	0	0	0	0	0	109.4	V216 V219 F236 G238 M239 A240	A206-V216 HydrophobicContact CB-CG1 3.99Å; A206-V216 WeakPolarHBondContact O-CG1 3.48Å; A206-V219 HydrophobicContact CB-CG1 3.96Å; A206-F236 HydrophobicContact CB-CE2 4.19Å; A206-G238 PolarHBondContact N-O 3.04Å; A206-G238 VanDerWaalsContact N-O 3.13Å; A206-M239 HydrophobicContact CB-CB 4.4Å; A206-M239 CarbonylContact O-C 3.55Å; A206-M239 WeakPolarHBondContact O-CA 3.27Å; A206-M239 VanDerWaalsContact O-CB 3.23Å; A206-M239 WeakPolarHBondContact O-CB 3.39Å; A206-A240 PolarHBondContact O-N 2.9Å
207	T	98.9	Very high	97.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	153.4	-176.4	70.5	0	0	0	0	111.2	L111 W112 L113 A240	L111-T207 CarbonylContact O-C 3.38Å; L111-T207 VanDerWaalsContact O-CA 3.3Å; L111-T207 WeakPolarHBondContact O-CA 3.46Å; L111-T207 WeakPolarHBondContact O-CB 3.5Å; L111-T207 PolarHBondContact O-N 3.12Å; L111-T207 PolarHBondContact O-OG1 2.84Å; W112-T207 WeakPolarHBondContact CA-O 3.44Å; L113-T207 PolarHBondContact N-O 3.18Å; T207-A240 VanDerWaalsContact CA-O 3.23Å; T207-A240 WeakPolarHBondContact CA-O 3.11Å; T207-A240 HydrophobicContact CG2-CB 3.9Å
208	G	98.5	Very high	97.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.4	176.8	177.9	0	0	0	0	0	113.3	L113 A240 I241 G242	L113-G208 WeakPolarHBondContact O-CA 3.48Å; G208-A240 PolarHBondContact N-O 3.35Å; G208-I241 WeakPolarHBondContact O-CA 3.42Å; G208-G242 PolarHBondContact O-N 2.86Å
209	E	98.4	Very high	97.7	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156	-173.7	-175.7	172.8	90.2	0	0	112.7	W112 L113 Q114 G115 Y211 A212 G242 I455	W112-E209 HydrophobicContact CH2-CB 3.96Å; W112-E209 HydrophobicContact CZ2-CB 4Å; L113-E209 PolarHBondContact O-N 2.79Å; Q114-E209 PolarHBondContact NE2-OE1 3.46Å; G115-E209 WeakPolarHBondContact CA-O 3.19Å; G115-E209 PolarHBondContact N-O 2.82Å; E209-Y211 PolarHBondContact O-N 2.83Å; E209-A212 WeakPolarHBondContact O-CA 3.41Å; E209-A212 WeakPolarHBondContact O-CB 3.44Å; E209-A212 PolarHBondContact O-N 3.48Å; E209-G242 CarbonylContact C-O 3.57Å; E209-G242 VanDerWaalsContact CA-O 3.24Å; E209-G242 WeakPolarHBondContact CA-O 3.48Å; E209-I455 WeakPolarHBondContact OE1-CD1 3.42Å
210	S	97.9	Very high	97.9	Very high	11 Å²	11	11.7 Å²	11.7	8%	0.077	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	-122.3	167.7	-164.5	0	0	0	0	113	A212 G213 G242 D243 G244 L245 H454	S210-A212 PolarHBondContact O-N 2.84Å; S210-A212 VanDerWaalsContact O-N 3.11Å; S210-G213 PolarHBondContact O-N 3.39Å; S210-G242 PolarHBondContact N-O 3.23Å; S210-D243 WeakPolarHBondContact CA-O 3.49Å; S210-D243 PolarHBondContact N-O 3.11Å; S210-G244 CarbonylContact O-C 3.58Å; S210-G244 VanDerWaalsContact O-CA 3.24Å; S210-G244 WeakPolarHBondContact O-CA 3.32Å; S210-L245 PolarHBondContact O-N 3.39Å; S210-H454 WeakPolarHBondContact CB-NE2 3.37Å; S210-H454 PolarHBondContact OG-NE2 2.81Å
211	Y	98.3	Very high	98.1	Very high	3 Å²	3	10.8 Å²	10.8	1%	0.012	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16.9	173.7	-156.7	-96.1	0	0	0	113.6	P117 E209 G213 K214 Y215 L245 L365 D368 V369	P117-Y211 HydrophobicContact CB-CD1 3.67Å; P117-Y211 HydrophobicContact CB-CE1 3.79Å; P117-Y211 HydrophobicContact CB-CG 4.06Å; P117-Y211 HydrophobicContact CG-CD1 4.32Å; P117-Y211 HydrophobicContact CG-CD2 4.41Å; P117-Y211 HydrophobicContact CG-CE1 4.26Å; P117-Y211 HydrophobicContact CG-CE2 4.37Å; P117-Y211 HydrophobicContact CG-CG 4.37Å; E209-Y211 PolarHBondContact O-N 2.83Å; Y211-G213 PolarHBondContact O-N 3.43Å; Y211-G213 VanDerWaalsContact O-N 3.15Å; Y211-K214 HydrophobicContact CE1-CD 4.2Å; Y211-K214 HydrophobicContact CE2-CD 3.99Å; Y211-K214 PolarHBondContact O-N 2.9Å; Y211-Y215 HydrophobicContact CD1-CD1 4.24Å; Y211-Y215 HydrophobicContact CD1-CD2 4.49Å; Y211-Y215 AromaticContact CD1-CE1 3.56Å; Y211-Y215 HydrophobicContact CD1-CE1 3.56Å; Y211-Y215 AromaticContact CD1-CE2 3.86Å; Y211-Y215 HydrophobicContact CD1-CE2 3.86Å; Y211-Y215 AromaticContact CD1-CZ 3.36Å; Y211-Y215 WeakPolarHBondContact CD1-OH 3.25Å; Y211-Y215 HydrophobicContact CE1-CD1 4.41Å; Y211-Y215 AromaticContact CE1-CE1 3.65Å; Y211-Y215 HydrophobicContact CE1-CE1 3.65Å; Y211-Y215 AromaticContact CE1-CZ 3.84Å; Y211-L245 HydrophobicContact CD2-CD2 3.97Å; Y211-L245 HydrophobicContact CE2-CD2 4.11Å; Y211-L365 HydrophobicContact CE1-CD1 4.4Å; Y211-D368 PolarHBondContact OH-OD1 2.97Å; Y211-V369 HydrophobicContact CE2-CB 4.06Å; Y211-V369 HydrophobicContact CE2-CG1 3.98Å; Y211-V369 HydrophobicContact CE2-CG2 3.8Å; Y211-V369 VanDerWaalsContact OH-CA 3.27Å; Y211-V369 WeakPolarHBondContact OH-CA 3.5Å; Y211-V369 PolarHBondContact OH-N 3.06Å
212	A	98.5	Very high	98.2	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-66.6	-9.1	168.8	0	0	0	0	0	112.9	L113 E209 S210 K214 Y215 V216	L113-A212 HydrophobicContact CB-CB 4.05Å; L113-A212 WeakPolarHBondContact O-CB 3.43Å; E209-A212 WeakPolarHBondContact O-CA 3.41Å; E209-A212 WeakPolarHBondContact O-CB 3.44Å; E209-A212 PolarHBondContact O-N 3.48Å; S210-A212 PolarHBondContact O-N 2.84Å; S210-A212 VanDerWaalsContact O-N 3.11Å; A212-K214 PolarHBondContact O-N 3.4Å; A212-Y215 HydrophobicContact CB-CD2 3.95Å; A212-Y215 PolarHBondContact O-N 3.03Å; A212-V216 HydrophobicContact CB-CG2 4.15Å; A212-V216 VanDerWaalsContact O-CB 3.25Å; A212-V216 WeakPolarHBondContact O-CB 3.29Å; A212-V216 WeakPolarHBondContact O-CG2 3.26Å; A212-V216 PolarHBondContact O-N 2.79Å
213	G	98.3	Very high	98.3	Very high	0 Å²	0	7.8 Å²	7.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-53.6	-17.5	159.8	0	0	0	0	0	113.9	S210 Y211 P217 C246 I373	S210-G213 PolarHBondContact O-N 3.39Å; Y211-G213 PolarHBondContact O-N 3.43Å; Y211-G213 VanDerWaalsContact O-N 3.15Å; G213-P217 VanDerWaalsContact O-CD 3.22Å; G213-P217 WeakPolarHBondContact O-CD 3.36Å; G213-P217 VanDerWaalsContact O-CG 3.23Å; G213-P217 WeakPolarHBondContact O-CG 3.47Å; G213-C246 PolarHBondContact O-SG 2.8Å; G213-I373 WeakPolarHBondContact O-CG2 3.47Å
214	K	98.6	Very high	98.3	Very high	1 Å²	1	6.9 Å²	6.9	0%	0.004	3%	0.03	C	C	.	.	H	α-helix	trans	-103.1	-42.5	167.8	-50.7	-164.7	-171.5	-165.2	0	113.4	Q177 Y211 A212 V216 P217 A218 L245 D368 V369 K371 I373	Q177-K214 VanDerWaalsContact CD-CB 3.43Å; Q177-K214 HydrophobicContact CG-CB 3.94Å; Q177-K214 HydrophobicContact CG-CD 4.46Å; Q177-K214 VanDerWaalsContact OE1-C 3.27Å; Q177-K214 PolarHBondContact OE1-O 2.92Å; Y211-K214 HydrophobicContact CE1-CD 4.2Å; Y211-K214 HydrophobicContact CE2-CD 3.99Å; Y211-K214 PolarHBondContact O-N 2.9Å; A212-K214 PolarHBondContact O-N 3.4Å; K214-V216 PolarHBondContact O-N 3.43Å; K214-P217 WeakPolarHBondContact O-CD 3.34Å; K214-A218 VanDerWaalsContact O-CB 3.25Å; K214-A218 WeakPolarHBondContact O-CB 3.28Å; K214-A218 PolarHBondContact O-N 2.91Å; K214-L245 WeakPolarHBondContact CE-O 3.28Å; K214-L245 WeakPolarHBondContact CG-O 3.31Å; K214-D368 PolarHBondContact NZ-O 3.08Å; K214-V369 PolarHBondContact NZ-O 3.32Å; K214-K371 PolarHBondContact NZ-O 3.45Å; K214-I373 HydrophobicContact CG-CB 4.46Å
215	Y	98.6	Very high	98.2	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62	-41.9	-178.5	-55.3	-35.4	0	0	0	112.8	P117 N158 P159 Q177 V180 Y211 A212 A218 V219 L365	P117-Y215 WeakPolarHBondContact CA-OH 3.44Å; P117-Y215 WeakPolarHBondContact CB-OH 3.37Å; N158-Y215 WeakPolarHBondContact ND2-CD2 3.23Å; P159-Y215 WeakPolarHBondContact CD-OH 3.05Å; P159-Y215 HydrophobicContact CG-CE1 4.08Å; Q177-Y215 VanDerWaalsContact OE1-CD1 3.31Å; V180-Y215 HydrophobicContact CB-CD1 4.35Å; V180-Y215 HydrophobicContact CG1-CD1 3.7Å; V180-Y215 HydrophobicContact CG1-CE1 4.32Å; V180-Y215 HydrophobicContact CG1-CG 4.26Å; V180-Y215 HydrophobicContact CG2-CD1 4.14Å; V180-Y215 HydrophobicContact CG2-CE1 4.02Å; Y211-Y215 HydrophobicContact CD1-CD1 4.24Å; Y211-Y215 HydrophobicContact CD1-CD2 4.49Å; Y211-Y215 AromaticContact CD1-CE1 3.56Å; Y211-Y215 HydrophobicContact CD1-CE1 3.56Å; Y211-Y215 AromaticContact CD1-CE2 3.86Å; Y211-Y215 HydrophobicContact CD1-CE2 3.86Å; Y211-Y215 AromaticContact CD1-CZ 3.36Å; Y211-Y215 WeakPolarHBondContact CD1-OH 3.25Å; Y211-Y215 HydrophobicContact CE1-CD1 4.41Å; Y211-Y215 AromaticContact CE1-CE1 3.65Å; Y211-Y215 HydrophobicContact CE1-CE1 3.65Å; Y211-Y215 AromaticContact CE1-CZ 3.84Å; A212-Y215 HydrophobicContact CB-CD2 3.95Å; A212-Y215 PolarHBondContact O-N 3.03Å; Y215-A218 WeakPolarHBondContact O-CB 3.17Å; Y215-A218 PolarHBondContact O-N 3.35Å; Y215-V219 WeakPolarHBondContact O-CG1 3.49Å; Y215-V219 PolarHBondContact O-N 3.04Å; Y215-L365 HydrophobicContact CE1-CD1 4.13Å; Y215-L365 WeakPolarHBondContact OH-CD1 3.33Å
216	V	98.8	Very high	98.1	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-65.8	-50.2	-178.8	169.5	0	0	0	0	111	L113 A206 A212 K214 A218 V219 S220 M239 I241	L113-V216 HydrophobicContact CD1-CG2 4.36Å; A206-V216 HydrophobicContact CB-CG1 3.99Å; A206-V216 WeakPolarHBondContact O-CG1 3.48Å; A212-V216 HydrophobicContact CB-CG2 4.15Å; A212-V216 VanDerWaalsContact O-CB 3.25Å; A212-V216 WeakPolarHBondContact O-CB 3.29Å; A212-V216 WeakPolarHBondContact O-CG2 3.26Å; A212-V216 PolarHBondContact O-N 2.79Å; K214-V216 PolarHBondContact O-N 3.43Å; V216-A218 VanDerWaalsContact C-N 3.27Å; V216-A218 PolarHBondContact O-N 3.27Å; V216-V219 WeakPolarHBondContact O-CG1 3.45Å; V216-S220 WeakPolarHBondContact O-CB 3.43Å; V216-S220 PolarHBondContact O-N 3.43Å; V216-S220 PolarHBondContact O-OG 2.91Å; V216-M239 HydrophobicContact CG1-CB 3.63Å; V216-M239 HydrophobicContact CG1-CG 4.28Å; V216-M239 HydrophobicContact CG1-SD 4.03Å; V216-I241 HydrophobicContact CB-CD1 4.35Å; V216-I241 HydrophobicContact CB-CG1 4.04Å; V216-I241 HydrophobicContact CG1-CD1 4.2Å; V216-I241 HydrophobicContact CG1-CG1 3.78Å
217	P	98.6	Very high	97.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-60	-35.9	170.1	-28.4	37.4	0	0	0	113.2	G213 K214 S220 Y221 M239 I241 I373 L380	G213-P217 VanDerWaalsContact O-CD 3.22Å; G213-P217 WeakPolarHBondContact O-CD 3.36Å; G213-P217 VanDerWaalsContact O-CG 3.23Å; G213-P217 WeakPolarHBondContact O-CG 3.47Å; K214-P217 WeakPolarHBondContact O-CD 3.34Å; P217-S220 PolarHBondContact O-N 3.4Å; P217-Y221 WeakPolarHBondContact O-CB 3.42Å; P217-Y221 PolarHBondContact O-N 3.13Å; P217-M239 HydrophobicContact CG-SD 4.45Å; P217-I241 HydrophobicContact CG-CD1 3.66Å; P217-I373 HydrophobicContact CB-CG1 3.8Å; P217-I373 HydrophobicContact CB-CG2 4.41Å; P217-I373 HydrophobicContact CG-CG1 4.38Å; P217-I373 HydrophobicContact CG-CG2 4.18Å; P217-L380 HydrophobicContact CB-CD1 4.01Å; P217-L380 WeakPolarHBondContact O-CD1 3.28Å
218	A	98.4	Very high	97.5	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-61.6	-54.9	179.3	0	0	0	0	0	112.8	Q177 K214 Y215 V216 S220 Y221 Y222 W376	Q177-A218 HydrophobicContact CB-CB 3.97Å; Q177-A218 WeakPolarHBondContact O-CB 3.4Å; K214-A218 VanDerWaalsContact O-CB 3.25Å; K214-A218 WeakPolarHBondContact O-CB 3.28Å; K214-A218 PolarHBondContact O-N 2.91Å; Y215-A218 WeakPolarHBondContact O-CB 3.17Å; Y215-A218 PolarHBondContact O-N 3.35Å; V216-A218 VanDerWaalsContact C-N 3.27Å; V216-A218 PolarHBondContact O-N 3.27Å; A218-S220 VanDerWaalsContact C-N 3.31Å; A218-S220 PolarHBondContact O-N 2.9Å; A218-Y221 PolarHBondContact O-N 3.03Å; A218-Y222 WeakPolarHBondContact O-CD2 3.37Å; A218-Y222 PolarHBondContact O-N 3.48Å; A218-W376 HydrophobicContact CB-CE3 4.24Å; A218-W376 HydrophobicContact CB-CZ3 3.72Å
219	V	98.4	Very high	97.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-63.8	-39.7	177.8	68.3	0	0	0	0	111.2	L111 L113 L184 L189 A206 Y215 V216 Y221 Y222 I223	L111-V219 HydrophobicContact CD2-CG1 4.2Å; L113-V219 HydrophobicContact CD1-CG1 4.46Å; L184-V219 HydrophobicContact CB-CB 4.15Å; L184-V219 HydrophobicContact CB-CG2 3.71Å; L184-V219 HydrophobicContact CD1-CB 3.99Å; L184-V219 HydrophobicContact CD1-CG2 4.35Å; L189-V219 HydrophobicContact CD1-CG2 3.69Å; A206-V219 HydrophobicContact CB-CG1 3.96Å; Y215-V219 WeakPolarHBondContact O-CG1 3.49Å; Y215-V219 PolarHBondContact O-N 3.04Å; V216-V219 WeakPolarHBondContact O-CG1 3.45Å; V219-Y221 PolarHBondContact O-N 3.32Å; V219-Y222 PolarHBondContact O-N 2.91Å; V219-I223 HydrophobicContact CG2-CD1 4.19Å; V219-I223 VanDerWaalsContact O-CG1 3.26Å; V219-I223 WeakPolarHBondContact O-CG1 3.34Å; V219-I223 PolarHBondContact O-N 3.14Å
220	S	98.6	Very high	96.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-43.2	178.9	-61	0	0	0	0	112.2	V216 P217 A218 I223 H224 F236	V216-S220 WeakPolarHBondContact O-CB 3.43Å; V216-S220 PolarHBondContact O-N 3.43Å; V216-S220 PolarHBondContact O-OG 2.91Å; P217-S220 PolarHBondContact O-N 3.4Å; A218-S220 VanDerWaalsContact C-N 3.31Å; A218-S220 PolarHBondContact O-N 2.9Å; S220-I223 PolarHBondContact O-N 3.39Å; S220-H224 WeakPolarHBondContact O-CB 3.06Å; S220-H224 PolarHBondContact O-N 2.82Å; S220-F236 VanDerWaalsContact CB-CZ 3.45Å; S220-F236 VanDerWaalsContact OG-CZ 3.3Å; S220-F236 WeakPolarHBondContact OG-CZ 3.43Å
221	Y	98.3	Very high	96	Very high	46 Å²	46	36.3 Å²	36.3	18%	0.18	18%	0.184	C	C	.	.	H	α-helix	trans	-66.5	-39.2	177.1	-179.1	-107.9	0	0	0	111.7	P217 A218 V219 H224 K225 W376 I379	P217-Y221 WeakPolarHBondContact O-CB 3.42Å; P217-Y221 PolarHBondContact O-N 3.13Å; A218-Y221 PolarHBondContact O-N 3.03Å; V219-Y221 PolarHBondContact O-N 3.32Å; Y221-H224 WeakPolarHBondContact O-CB 3.4Å; Y221-H224 PolarHBondContact O-N 3.49Å; Y221-K225 WeakPolarHBondContact O-CB 3.31Å; Y221-K225 PolarHBondContact O-N 3.38Å; Y221-W376 AromaticContact CD1-CD2 3.69Å; Y221-W376 HydrophobicContact CD1-CD2 3.69Å; Y221-W376 AromaticContact CD1-CE2 3.75Å; Y221-W376 HydrophobicContact CD1-CE3 4.08Å; Y221-W376 AromaticContact CD1-CG 3.99Å; Y221-W376 HydrophobicContact CD1-CG 3.99Å; Y221-W376 HydrophobicContact CD1-CZ2 4.21Å; Y221-W376 HydrophobicContact CD2-CB 4.27Å; Y221-W376 HydrophobicContact CD2-CG 4.19Å; Y221-W376 HydrophobicContact CE1-CD2 4.24Å; Y221-W376 AromaticContact CE1-CE2 3.89Å; Y221-W376 HydrophobicContact CE1-CG 4.39Å; Y221-W376 HydrophobicContact CE1-CZ2 4.34Å; Y221-W376 AromaticContact CE1-NE1 3.79Å; Y221-W376 HydrophobicContact CG-CB 4.16Å; Y221-W376 AromaticContact CG-CD2 3.94Å; Y221-W376 HydrophobicContact CG-CD2 3.94Å; Y221-W376 HydrophobicContact CG-CE3 4.3Å; Y221-W376 AromaticContact CG-CG 3.87Å; Y221-W376 HydrophobicContact CG-CG 3.87Å; Y221-I379 HydrophobicContact CD2-CD1 4.39Å; Y221-I379 HydrophobicContact CD2-CG2 4.44Å; Y221-I379 HydrophobicContact CE2-CD1 3.63Å; Y221-I379 HydrophobicContact CE2-CG2 4.32Å
222	Y	97.5	Very high	95.3	Very high	28 Å²	28	38 Å²	38	11%	0.11	19%	0.194	C	C	.	.	H	α-helix	trans	-66	-38.6	174.2	-90.9	-111.1	0	0	0	112.1	D178 R182 A218 V219 N226 W376	D178-Y222 VanDerWaalsContact CB-OH 3.31Å; D178-Y222 WeakPolarHBondContact CB-OH 3.22Å; D178-Y222 PolarHBondContact O-OH 2.94Å; D178-Y222 WeakPolarHBondContact OD1-CE2 3.33Å; D178-Y222 PolarHBondContact OD1-OH 2.91Å; R182-Y222 HydrophobicContact CB-CE1 4Å; A218-Y222 WeakPolarHBondContact O-CD2 3.37Å; A218-Y222 PolarHBondContact O-N 3.48Å; V219-Y222 PolarHBondContact O-N 2.91Å; Y222-N226 WeakPolarHBondContact O-CB 3.46Å; Y222-N226 PolarHBondContact O-N 3.25Å; Y222-N226 VanDerWaalsContact O-N 3.11Å; Y222-N226 PolarHBondContact O-ND2 2.75Å; Y222-W376 HydrophobicContact CE2-CH2 4.13Å
223	I	97.5	Very high	95	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-59.6	-56.1	169.8	-66.1	162.4	0	0	0	109.3	Y185 L189 F204 V219 S220 K225 N226 N227 I234 F236	Y185-I223 HydrophobicContact CD2-CB 4.22Å; Y185-I223 HydrophobicContact CD2-CG1 3.41Å; Y185-I223 VanDerWaalsContact CD2-CG1 3.41Å; Y185-I223 HydrophobicContact CE2-CB 4.37Å; Y185-I223 HydrophobicContact CE2-CG1 3.93Å; Y185-I223 HydrophobicContact CG-CG1 4.25Å; L189-I223 HydrophobicContact CD1-CD1 3.96Å; F204-I223 HydrophobicContact CD1-CD1 4.2Å; F204-I223 HydrophobicContact CE1-CD1 3.72Å; V219-I223 HydrophobicContact CG2-CD1 4.19Å; V219-I223 VanDerWaalsContact O-CG1 3.26Å; V219-I223 WeakPolarHBondContact O-CG1 3.34Å; V219-I223 PolarHBondContact O-N 3.14Å; S220-I223 PolarHBondContact O-N 3.39Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 2.72Å; I223-N226 PolarHBondContact O-N 3.35Å; I223-N227 HydrophobicContact CG2-CB 4.09Å; I223-N227 WeakPolarHBondContact O-CB 3.47Å; I223-N227 PolarHBondContact O-N 2.93Å; I223-I234 HydrophobicContact CD1-CD1 4.45Å; I223-I234 HydrophobicContact CG1-CD1 4.2Å; I223-I234 HydrophobicContact CG2-CB 4.4Å; I223-F236 HydrophobicContact CB-CD1 4.47Å; I223-F236 HydrophobicContact CD1-CD2 4.2Å; I223-F236 HydrophobicContact CD1-CE2 4.45Å; I223-F236 HydrophobicContact CD1-CG 4.41Å; I223-F236 HydrophobicContact CG2-CB 3.67Å; I223-F236 HydrophobicContact CG2-CD1 3.99Å; I223-F236 HydrophobicContact CG2-CG 3.89Å
224	H	97.1	Very high	94.8	Very high	48 Å²	48	43.6 Å²	43.6	22%	0.222	22%	0.219	C	C	.	.	H	α-helix	trans	-49.1	-48.6	-179.7	174.5	74.8	0	0	0	112.7	S220 Y221 P228 L380 Y384	S220-H224 WeakPolarHBondContact O-CB 3.06Å; S220-H224 PolarHBondContact O-N 2.82Å; Y221-H224 WeakPolarHBondContact O-CB 3.4Å; Y221-H224 PolarHBondContact O-N 3.49Å; H224-P228 VanDerWaalsContact O-CD 3.32Å; H224-P228 WeakPolarHBondContact O-CD 3.23Å; H224-L380 HydrophobicContact CB-CD2 4.31Å; H224-Y384 HydrophobicContact CB-CE2 3.86Å; H224-Y384 AromaticContact CG-CE2 3.91Å; H224-Y384 AromaticContact ND1-CE2 3.41Å; H224-Y384 WeakPolarHBondContact ND1-CE2 3.13Å; H224-Y384 AromaticContact ND1-CZ 3.62Å; H224-Y384 PolarHBondContact ND1-OH 2.87Å
225	K	96.2	Very high	94.7	Very high	130 Å²	130	46 Å²	46	57%	0.565	23%	0.232	S	C	*	.	H	α-helix	trans	-69	-38.4	-176.9	-174.9	178.6	-179.8	-179.9	0	113.8	Y221 I223	Y221-K225 WeakPolarHBondContact O-CB 3.31Å; Y221-K225 PolarHBondContact O-N 3.38Å; I223-K225 VanDerWaalsContact C-N 3.29Å; I223-K225 PolarHBondContact O-N 2.72Å
226	N	94.9	Very high	94.7	Very high	23 Å²	23	46.7 Å²	46.7	12%	0.123	23%	0.234	C	C	.	.	H	α-helix	trans	-104.3	-24.5	-168.1	-63.7	-93.6	0	0	0	113.3	Y185 R186 Y222 I223 P228 T229 A230	Y185-N226 HydrophobicContact CD1-CB 4.21Å; Y185-N226 HydrophobicContact CE1-CB 3.26Å; Y185-N226 WeakPolarHBondContact OH-CB 3.25Å; R186-N226 PolarHBondContact NH2-OD1 3.19Å; Y222-N226 WeakPolarHBondContact O-CB 3.46Å; Y222-N226 PolarHBondContact O-N 3.25Å; Y222-N226 VanDerWaalsContact O-N 3.11Å; Y222-N226 PolarHBondContact O-ND2 2.75Å; I223-N226 PolarHBondContact O-N 3.35Å; N226-P228 VanDerWaalsContact C-CD 3.41Å; N226-T229 PolarHBondContact O-N 2.89Å; N226-T229 VanDerWaalsContact O-N 3.17Å; N226-T229 PolarHBondContact O-OG1 3.42Å; N226-T229 VanDerWaalsContact O-OG1 3.11Å; N226-A230 PolarHBondContact O-N 3.38Å; N226-A230 VanDerWaalsContact O-N 3.11Å
227	N	93.1	Very high	94.6	Very high	27 Å²	27	50.3 Å²	50.3	14%	0.144	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-57.8	-36.2	-177.2	-162	40.5	0	0	0	114.6	I223 T229 A230 K233 I234	I223-N227 HydrophobicContact CG2-CB 4.09Å; I223-N227 WeakPolarHBondContact O-CB 3.47Å; I223-N227 PolarHBondContact O-N 2.93Å; N227-T229 PolarHBondContact O-N 2.94Å; N227-A230 PolarHBondContact O-N 3.06Å; N227-K233 VanDerWaalsContact OD1-CA 3.24Å; N227-K233 WeakPolarHBondContact OD1-CA 3.3Å; N227-I234 PolarHBondContact ND2-O 2.96Å; N227-I234 PolarHBondContact OD1-N 3.15Å
228	P	92.6	Very high	94.6	Very high	93 Å²	93	50.3 Å²	50.3	60%	0.604	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-56.9	-34.2	176.3	-28.1	36.8	0	0	0	114	H224 N226	H224-P228 VanDerWaalsContact O-CD 3.32Å; H224-P228 WeakPolarHBondContact O-CD 3.23Å; N226-P228 VanDerWaalsContact C-CD 3.41Å
229	T	91.6	Very high	94.6	Very high	125 Å²	125	50.3 Å²	50.3	77%	0.767	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-103.8	-0.3	-178.2	54.7	0	0	0	0	113.9	N226 N227	N226-T229 PolarHBondContact O-N 2.89Å; N226-T229 VanDerWaalsContact O-N 3.17Å; N226-T229 PolarHBondContact O-OG1 3.42Å; N226-T229 VanDerWaalsContact O-OG1 3.11Å; N227-T229 PolarHBondContact O-N 2.94Å
230	A	88.6	Confident	94.6	Very high	23 Å²	23	50.3 Å²	50.3	19%	0.19	25%	0.25	C	S	.	.			trans	-74	143.5	-174.6	0	0	0	0	0	112.2	Y185 N226 N227 V232	Y185-A230 WeakPolarHBondContact OH-CB 3.4Å; N226-A230 PolarHBondContact O-N 3.38Å; N226-A230 VanDerWaalsContact O-N 3.11Å; N227-A230 PolarHBondContact O-N 3.06Å; A230-V232 WeakPolarHBondContact CB-O 3.43Å
231	K	83.9	Confident	94.6	Very high	216 Å²	216	50.3 Å²	50.3	94%	0.939	25%	0.25	S	S	*	.	S	Bend	trans	-68.9	-46.9	172	-66.2	-175.1	-179.6	-178.9	0	111.4
232	V	83.8	Confident	94.7	Very high	37 Å²	37	48.1 Å²	48.1	22%	0.224	24%	0.242	C	C	.	.	S	Bend	trans	-98.3	106.1	172	-179.6	0	0	0	0	106.3	F193 A230	F193-V232 HydrophobicContact CB-CG1 3.95Å; A230-V232 WeakPolarHBondContact CB-O 3.43Å
233	K	91	Very high	94.7	Very high	116 Å²	116	46.8 Å²	46.8	50%	0.504	24%	0.237	S	C	.	.			trans	-81.7	144.5	175.9	-65.6	-169.9	177	-174.8	0	110.3	Q200 N227	Q200-K233 WeakPolarHBondContact CG-O 3.35Å; Q200-K233 PolarHBondContact NE2-O 3.14Å; N227-K233 VanDerWaalsContact OD1-CA 3.24Å; N227-K233 WeakPolarHBondContact OD1-CA 3.3Å
234	I	94.9	Very high	94.7	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.015	24%	0.238	C	C	.	.			trans	-103	125.7	171.7	-58.3	-179.7	0	0	0	106.8	Y185 L189 F193 F204 I223 N227 F236	Y185-I234 HydrophobicContact CD2-CD1 3.92Å; Y185-I234 HydrophobicContact CE2-CD1 3.8Å; L189-I234 HydrophobicContact CB-CD1 3.9Å; L189-I234 HydrophobicContact CD1-CD1 4.18Å; F193-I234 HydrophobicContact CD2-CD1 4.17Å; F193-I234 HydrophobicContact CD2-CG1 3.83Å; F193-I234 HydrophobicContact CE2-CB 4.24Å; F193-I234 HydrophobicContact CE2-CD1 3.93Å; F193-I234 HydrophobicContact CE2-CG1 3.69Å; F193-I234 HydrophobicContact CE2-CG2 3.77Å; F193-I234 HydrophobicContact CZ-CG2 4.11Å; F204-I234 HydrophobicContact CB-CG2 3.74Å; F204-I234 HydrophobicContact CD1-CG2 3.45Å; F204-I234 VanDerWaalsContact CD1-CG2 3.45Å; F204-I234 HydrophobicContact CE1-CG2 4.25Å; F204-I234 HydrophobicContact CG-CG2 3.67Å; I223-I234 HydrophobicContact CD1-CD1 4.45Å; I223-I234 HydrophobicContact CG1-CD1 4.2Å; I223-I234 HydrophobicContact CG2-CB 4.4Å; N227-I234 PolarHBondContact ND2-O 2.96Å; N227-I234 PolarHBondContact OD1-N 3.15Å; I234-F236 HydrophobicContact CG2-CB 4.25Å; I234-F236 PolarHBondContact O-N 2.87Å
235	N	96.5	Very high	94.8	Very high	52 Å²	52	45.3 Å²	45.3	28%	0.278	23%	0.231	S	C	.	.			trans	-76.6	63.5	175.2	-177.9	23	0	0	0	110.6	P201 N202 F204 K237	P201-N235 PolarHBondContact O-ND2 2.88Å; N202-N235 WeakPolarHBondContact O-CB 3.4Å; F204-N235 PolarHBondContact N-O 2.85Å; N235-K237 PolarHBondContact O-N 3.21Å; N235-K237 WeakPolarHBondContact OD1-CE 3.18Å; N235-K237 PolarHBondContact OD1-NZ 2.94Å; N235-K237 VanDerWaalsContact OD1-NZ 3.07Å
236	F	97.9	Very high	94.9	Very high	13 Å²	13	39.2 Å²	39.2	6%	0.057	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	124.7	-175.7	-177.9	-122.2	0	0	0	111.5	F204 A206 S220 I223 I234 G238 L380 Y384	F204-F236 AromaticContact CD1-CD2 3.74Å; F204-F236 HydrophobicContact CD1-CD2 3.74Å; F204-F236 HydrophobicContact CD1-CE2 4.49Å; F204-F236 HydrophobicContact CE1-CD2 4.29Å; F204-F236 WeakPolarHBondContact O-CA 3.43Å; F204-F236 WeakPolarHBondContact O-CD2 3.31Å; A206-F236 HydrophobicContact CB-CE2 4.19Å; S220-F236 VanDerWaalsContact CB-CZ 3.45Å; S220-F236 VanDerWaalsContact OG-CZ 3.3Å; S220-F236 WeakPolarHBondContact OG-CZ 3.43Å; I223-F236 HydrophobicContact CB-CD1 4.47Å; I223-F236 HydrophobicContact CD1-CD2 4.2Å; I223-F236 HydrophobicContact CD1-CE2 4.45Å; I223-F236 HydrophobicContact CD1-CG 4.41Å; I223-F236 HydrophobicContact CG2-CB 3.67Å; I223-F236 HydrophobicContact CG2-CD1 3.99Å; I223-F236 HydrophobicContact CG2-CG 3.89Å; I234-F236 HydrophobicContact CG2-CB 4.25Å; I234-F236 PolarHBondContact O-N 2.87Å; F236-G238 WeakPolarHBondContact CE2-O 3.24Å; F236-G238 WeakPolarHBondContact CZ-O 3.45Å; F236-L380 HydrophobicContact CE1-CD2 4.45Å; F236-Y384 AromaticContact CD1-CD1 3.64Å; F236-Y384 HydrophobicContact CD1-CD1 3.64Å; F236-Y384 HydrophobicContact CD1-CD2 4.27Å; F236-Y384 AromaticContact CD1-CE1 3.42Å; F236-Y384 HydrophobicContact CD1-CE1 3.42Å; F236-Y384 VanDerWaalsContact CD1-CE1 3.42Å; F236-Y384 HydrophobicContact CD1-CE2 4.06Å; F236-Y384 HydrophobicContact CD1-CG 4.08Å; F236-Y384 AromaticContact CD1-CZ 3.64Å; F236-Y384 AromaticContact CE1-CD1 3.8Å; F236-Y384 HydrophobicContact CE1-CD1 3.8Å; F236-Y384 AromaticContact CE1-CD2 3.76Å; F236-Y384 HydrophobicContact CE1-CD2 3.76Å; F236-Y384 AromaticContact CE1-CE1 3.92Å; F236-Y384 HydrophobicContact CE1-CE1 3.92Å; F236-Y384 AromaticContact CE1-CE2 3.87Å; F236-Y384 HydrophobicContact CE1-CE2 3.87Å; F236-Y384 AromaticContact CE1-CG 3.73Å; F236-Y384 HydrophobicContact CE1-CG 3.73Å; F236-Y384 AromaticContact CE1-CZ 3.96Å; F236-Y384 HydrophobicContact CG-CE1 4.37Å
237	K	97.8	Very high	95	Very high	77 Å²	77	38.1 Å²	38.1	34%	0.335	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	-28.7	-176.4	-65.4	-53.1	-168.8	-169.3	0	113.9	E203 F204 Y205 N235 R385	E203-K237 HydrophobicContact CB-CG 3.67Å; E203-K237 HydrophobicContact CG-CG 3.77Å; E203-K237 WeakPolarHBondContact OE1-CE 3.08Å; F204-K237 PolarHBondContact O-N 2.95Å; Y205-K237 HydrophobicContact CD1-CB 4.3Å; Y205-K237 HydrophobicContact CE1-CB 3.63Å; Y205-K237 HydrophobicContact CE2-CB 3.91Å; Y205-K237 HydrophobicContact CE2-CG 4.39Å; Y205-K237 WeakPolarHBondContact OH-CB 3.18Å; N235-K237 PolarHBondContact O-N 3.21Å; N235-K237 WeakPolarHBondContact OD1-CE 3.18Å; N235-K237 PolarHBondContact OD1-NZ 2.94Å; N235-K237 VanDerWaalsContact OD1-NZ 3.07Å; K237-R385 PolarHBondContact O-N 2.05Å
238	G	98.2	Very high	95.3	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-176.6	-173.9	0	0	0	0	0	115.4	Y205 A206 F236 R385	Y205-G238 WeakPolarHBondContact CA-O 2.98Å; A206-G238 PolarHBondContact N-O 3.04Å; A206-G238 VanDerWaalsContact N-O 3.13Å; F236-G238 WeakPolarHBondContact CE2-O 3.24Å; F236-G238 WeakPolarHBondContact CZ-O 3.45Å; G238-R385 CarbonylContact C-O 3.47Å; G238-R385 WeakPolarHBondContact CA-O 3.31Å
239	M	98.7	Very high	95.5	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.6	177.5	64	-179.3	-179.4	0	0	112.6	A206 V216 P217 I241 L377 L380 R385 V386 L387 F471	A206-M239 HydrophobicContact CB-CB 4.4Å; A206-M239 CarbonylContact O-C 3.55Å; A206-M239 WeakPolarHBondContact O-CA 3.27Å; A206-M239 VanDerWaalsContact O-CB 3.23Å; A206-M239 WeakPolarHBondContact O-CB 3.39Å; V216-M239 HydrophobicContact CG1-CB 3.63Å; V216-M239 HydrophobicContact CG1-CG 4.28Å; V216-M239 HydrophobicContact CG1-SD 4.03Å; P217-M239 HydrophobicContact CG-SD 4.45Å; M239-I241 HydrophobicContact SD-CD1 4.47Å; M239-L377 HydrophobicContact CE-CD1 3.33Å; M239-L380 HydrophobicContact CE-CB 3.61Å; M239-L380 HydrophobicContact CE-CD1 3.79Å; M239-L380 HydrophobicContact CE-CG 4.34Å; M239-L380 HydrophobicContact SD-CB 4.39Å; M239-L380 HydrophobicContact SD-CD1 3.8Å; M239-R385 PolarHBondContact N-O 3.41Å; M239-V386 HydrophobicContact CE-CB 4.36Å; M239-V386 HydrophobicContact CE-CG1 3.71Å; M239-V386 HydrophobicContact CE-CG2 3.67Å; M239-V386 HydrophobicContact CG-CG1 4.21Å; M239-V386 HydrophobicContact CG-CG2 4.07Å; M239-V386 WeakPolarHBondContact O-CA 3.38Å; M239-L387 PolarHBondContact O-N 2.83Å; M239-F471 WeakPolarHBondContact O-CZ 3.45Å
240	A	98.8	Very high	95.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	134.1	173	0	0	0	0	0	110.6	A206 T207 G208 L387 Y389 I468 F471	A206-A240 PolarHBondContact O-N 2.9Å; T207-A240 VanDerWaalsContact CA-O 3.23Å; T207-A240 WeakPolarHBondContact CA-O 3.11Å; T207-A240 HydrophobicContact CG2-CB 3.9Å; G208-A240 PolarHBondContact N-O 3.35Å; A240-L387 CarbonylContact C-O 3.6Å; A240-L387 VanDerWaalsContact CA-O 3.26Å; A240-L387 WeakPolarHBondContact CA-O 3.12Å; A240-L387 HydrophobicContact CB-CB 3.98Å; A240-L387 HydrophobicContact CB-CD2 4.05Å; A240-L387 HydrophobicContact CB-CG 4.33Å; A240-Y389 HydrophobicContact CB-CE1 4.32Å; A240-I468 HydrophobicContact CB-CD1 4.18Å; A240-F471 HydrophobicContact CB-CE1 4.2Å
241	I	98.8	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	118.6	-178.9	-56.5	173.7	0	0	0	108.7	G208 V216 P217 M239 L387 I388 Y389	G208-I241 WeakPolarHBondContact O-CA 3.42Å; V216-I241 HydrophobicContact CB-CD1 4.35Å; V216-I241 HydrophobicContact CB-CG1 4.04Å; V216-I241 HydrophobicContact CG1-CD1 4.2Å; V216-I241 HydrophobicContact CG1-CG1 3.78Å; P217-I241 HydrophobicContact CG-CD1 3.66Å; M239-I241 HydrophobicContact SD-CD1 4.47Å; I241-L387 PolarHBondContact N-O 2.96Å; I241-I388 HydrophobicContact CB-CD1 3.75Å; I241-I388 HydrophobicContact CD1-CD1 3.74Å; I241-I388 HydrophobicContact CG1-CD1 4.06Å; I241-Y389 VanDerWaalsContact C-CE1 3.5Å; I241-Y389 WeakPolarHBondContact O-CD1 3.45Å; I241-Y389 PolarHBondContact O-N 2.99Å
242	G	98.5	Very high	96.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.8	170.8	0	0	0	0	0	111.1	G208 E209 S210 G244 Y389	G208-G242 PolarHBondContact O-N 2.86Å; E209-G242 CarbonylContact C-O 3.57Å; E209-G242 VanDerWaalsContact CA-O 3.24Å; E209-G242 WeakPolarHBondContact CA-O 3.48Å; S210-G242 PolarHBondContact N-O 3.23Å; G242-G244 WeakPolarHBondContact O-CA 3.22Å; G242-G244 PolarHBondContact O-N 3.31Å; G242-Y389 CarbonylContact C-O 3.43Å; G242-Y389 WeakPolarHBondContact CA-O 3.33Å; G242-Y389 VanDerWaalsContact N-CE1 3.27Å
243	D	98.4	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.102	C	C	.	.	S	Bend	trans	43.9	46.6	167.8	-62.3	-101.5	0	0	0	112.5	S210 Y389 S390 G391 D394 V397 H454	S210-D243 WeakPolarHBondContact CA-O 3.49Å; S210-D243 PolarHBondContact N-O 3.11Å; D243-Y389 PolarHBondContact N-O 2.91Å; D243-S390 VanDerWaalsContact OD2-CA 3.27Å; D243-S390 WeakPolarHBondContact OD2-CA 3.33Å; D243-G391 VanDerWaalsContact CG-N 3.35Å; D243-G391 PolarHBondContact OD1-N 2.92Å; D243-G391 PolarHBondContact OD2-N 2.99Å; D243-D394 WeakPolarHBondContact OD1-CB 3.36Å; D243-V397 HydrophobicContact CB-CB 4.48Å; D243-V397 WeakPolarHBondContact O-CB 3.46Å; D243-V397 WeakPolarHBondContact O-CG1 3.03Å; D243-V397 WeakPolarHBondContact O-CG2 3.4Å; D243-H454 WeakPolarHBondContact CB-ND1 3.49Å; D243-H454 PolarHBondContact O-CE1 3.23Å
244	G	97.9	Very high	97.7	Very high	2 Å²	2	14.8 Å²	14.8	2%	0.021	8%	0.08	C	C	.	.			trans	-95.1	126.4	-159.8	0	0	0	0	0	115.7	S210 G242 C246 M251	S210-G244 CarbonylContact O-C 3.58Å; S210-G244 VanDerWaalsContact O-CA 3.24Å; S210-G244 WeakPolarHBondContact O-CA 3.32Å; G242-G244 WeakPolarHBondContact O-CA 3.22Å; G242-G244 PolarHBondContact O-N 3.31Å; G244-C246 PolarHBondContact O-N 3.41Å; G244-C246 PolarHBondContact O-SG 3.5Å; G244-M251 VanDerWaalsContact O-CE 3.3Å; G244-M251 WeakPolarHBondContact O-CE 3.12Å
245	L	98.2	Very high	97.8	Very high	15 Å²	15	14.8 Å²	14.8	8%	0.079	8%	0.08	C	C	.	.			trans	-72.3	91.3	176.9	-175.8	70.7	0	0	0	111.3	S210 Y211 K214 P248 M251 V369 V397	S210-L245 PolarHBondContact O-N 3.39Å; Y211-L245 HydrophobicContact CD2-CD2 3.97Å; Y211-L245 HydrophobicContact CE2-CD2 4.11Å; K214-L245 WeakPolarHBondContact CE-O 3.28Å; K214-L245 WeakPolarHBondContact CG-O 3.31Å; L245-P248 HydrophobicContact CD1-CG 4.11Å; L245-P248 HydrophobicContact CD2-CG 4.46Å; L245-P248 HydrophobicContact CG-CG 4.17Å; L245-M251 HydrophobicContact CD1-SD 3.9Å; L245-V369 HydrophobicContact CD2-CG1 4.11Å; L245-V397 HydrophobicContact CB-CG2 4.46Å
246	C	98.2	Very high	97.8	Very high	1 Å²	1	12.3 Å²	12.3	1%	0.007	7%	0.067	C	C	.	.			trans	-103.1	-41.8	-172.9	-61.4	0	0	0	0	114.3	G213 G244 M251 I373 F405	G213-C246 PolarHBondContact O-SG 2.8Å; G244-C246 PolarHBondContact O-N 3.41Å; G244-C246 PolarHBondContact O-SG 3.5Å; C246-M251 HydrophobicContact CB-CE 4.39Å; C246-I373 HydrophobicContact CB-CG2 4.03Å; C246-I373 PolarHBondContact O-N 3.1Å; C246-F405 HydrophobicContact CB-CE1 4.03Å; C246-F405 HydrophobicContact CB-CE2 3.82Å; C246-F405 HydrophobicContact CB-CZ 3.5Å
247	D	98.3	Very high	97.8	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.005	8%	0.083	C	C	.	.			trans	-138.6	77.2	-173.4	-168.3	42.2	0	0	0	110.8	E249 L250 M251 S372 K374 F405	D247-E249 PolarHBondContact O-N 2.91Å; D247-E249 VanDerWaalsContact O-N 3.11Å; D247-L250 PolarHBondContact O-N 2.81Å; D247-L250 WeakPolarHBondContact OD2-CB 3.43Å; D247-L250 VanDerWaalsContact OD2-CD1 3.23Å; D247-L250 WeakPolarHBondContact OD2-CD1 3.33Å; D247-L250 VanDerWaalsContact OD2-CG 3.29Å; D247-L250 WeakPolarHBondContact OD2-CG 3.35Å; D247-M251 WeakPolarHBondContact O-CB 3.44Å; D247-M251 VanDerWaalsContact O-CG 3.31Å; D247-M251 WeakPolarHBondContact O-CG 3.18Å; D247-M251 PolarHBondContact O-N 3.45Å; D247-M251 VanDerWaalsContact O-N 3.09Å; D247-S372 WeakPolarHBondContact OD1-CB 3.28Å; D247-S372 PolarHBondContact OD1-OG 2.74Å; D247-K374 IonicContact OD1-NZ 3.74Å; D247-K374 IonicContact OD2-NZ 2.75Å; D247-K374 PolarHBondContact OD2-NZ 3.19Å; D247-F405 HydrophobicContact CB-CB 3.68Å; D247-F405 HydrophobicContact CB-CD1 4.42Å; D247-F405 HydrophobicContact CB-CD2 3.8Å; D247-F405 HydrophobicContact CB-CG 3.71Å
248	P	97.9	Very high	97.8	Very high	3 Å²	3	13 Å²	13	2%	0.019	7%	0.071	C	C	.	.	H	α-helix	trans	-53.5	-34.8	-173.5	-28.5	36.1	0	0	0	114	L245 L250 M251 L252 I284 V369 M370 K371	L245-P248 HydrophobicContact CD1-CG 4.11Å; L245-P248 HydrophobicContact CD2-CG 4.46Å; L245-P248 HydrophobicContact CG-CG 4.17Å; P248-L250 PolarHBondContact O-N 3.03Å; P248-M251 PolarHBondContact O-N 2.88Å; P248-L252 WeakPolarHBondContact O-CB 3.4Å; P248-L252 VanDerWaalsContact O-CG 3.27Å; P248-L252 WeakPolarHBondContact O-CG 3.5Å; P248-L252 PolarHBondContact O-N 3.47Å; P248-I284 HydrophobicContact CB-CD1 4.1Å; P248-V369 WeakPolarHBondContact CG-O 3.41Å; P248-M370 HydrophobicContact CB-CE 4.41Å; P248-M370 HydrophobicContact CB-SD 4.04Å; P248-K371 WeakPolarHBondContact CD-O 3.45Å
249	E	97.9	Very high	97.8	Very high	62 Å²	62	13.2 Å²	13.2	29%	0.29	7%	0.072	S	C	.	.	H	α-helix	trans	-55.8	-53.6	178.5	-169.4	179.2	165.8	0	0	112.3	D247 V281 I284 Q285	D247-E249 PolarHBondContact O-N 2.91Å; D247-E249 VanDerWaalsContact O-N 3.11Å; E249-V281 HydrophobicContact CG-CG1 4.03Å; E249-V281 VanDerWaalsContact O-CG2 3.28Å; E249-V281 WeakPolarHBondContact O-CG2 3.17Å; E249-I284 HydrophobicContact CB-CD1 4.31Å; E249-I284 HydrophobicContact CB-CG2 3.78Å; E249-I284 HydrophobicContact CG-CG2 3.93Å; E249-Q285 WeakPolarHBondContact OE1-CG 3.41Å; E249-Q285 PolarHBondContact OE1-NE2 2.93Å
250	L	97.8	Very high	97.8	Very high	47 Å²	47	17.9 Å²	17.9	25%	0.246	9%	0.09	C	C	.	.	H	α-helix	trans	-78.6	-31.2	-177.9	-69	-176.3	0	0	0	112.7	D247 P248 R404 F405 T408	D247-L250 PolarHBondContact O-N 2.81Å; D247-L250 WeakPolarHBondContact OD2-CB 3.43Å; D247-L250 VanDerWaalsContact OD2-CD1 3.23Å; D247-L250 WeakPolarHBondContact OD2-CD1 3.33Å; D247-L250 VanDerWaalsContact OD2-CG 3.29Å; D247-L250 WeakPolarHBondContact OD2-CG 3.35Å; P248-L250 PolarHBondContact O-N 3.03Å; L250-R404 PolarHBondContact O-NE 3.38Å; L250-F405 HydrophobicContact CB-CB 3.84Å; L250-F405 HydrophobicContact CD1-CB 3.94Å; L250-T408 HydrophobicContact CD1-CG2 3.52Å; L250-T408 WeakPolarHBondContact CD1-OG1 3.2Å
251	M	97.9	Very high	97.8	Very high	2 Å²	2	24 Å²	24	1%	0.01	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-45.6	177.6	-71.8	176.3	157.7	0	0	111.5	G244 L245 C246 D247 P248 G253 G254 V397 L401 F405	G244-M251 VanDerWaalsContact O-CE 3.3Å; G244-M251 WeakPolarHBondContact O-CE 3.12Å; L245-M251 HydrophobicContact CD1-SD 3.9Å; C246-M251 HydrophobicContact CB-CE 4.39Å; D247-M251 WeakPolarHBondContact O-CB 3.44Å; D247-M251 VanDerWaalsContact O-CG 3.31Å; D247-M251 WeakPolarHBondContact O-CG 3.18Å; D247-M251 PolarHBondContact O-N 3.45Å; D247-M251 VanDerWaalsContact O-N 3.09Å; P248-M251 PolarHBondContact O-N 2.88Å; M251-G253 VanDerWaalsContact C-N 3.27Å; M251-G253 PolarHBondContact O-N 2.96Å; M251-G254 PolarHBondContact O-N 3.4Å; M251-V397 HydrophobicContact CE-CG1 4.1Å; M251-L401 HydrophobicContact CB-CB 4.12Å; M251-L401 HydrophobicContact CG-CB 4.15Å; M251-F405 HydrophobicContact CE-CD1 3.41Å; M251-F405 VanDerWaalsContact CE-CD1 3.41Å; M251-F405 HydrophobicContact CE-CE1 3.25Å; M251-F405 HydrophobicContact CE-CZ 4.31Å; M251-F405 HydrophobicContact CG-CD1 4.17Å; M251-F405 HydrophobicContact SD-CD1 4.46Å
252	L	96.9	Very high	97.6	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.01	13%	0.134	C	C	.	.	H	α-helix	trans	-54.2	-43.1	179.8	-83.2	173.3	0	0	0	112.5	P248 G254 Y255 T277 V281 I284 F296 M370	P248-L252 WeakPolarHBondContact O-CB 3.4Å; P248-L252 VanDerWaalsContact O-CG 3.27Å; P248-L252 WeakPolarHBondContact O-CG 3.5Å; P248-L252 PolarHBondContact O-N 3.47Å; L252-G254 PolarHBondContact O-N 3.31Å; L252-Y255 HydrophobicContact CD2-CD2 4.21Å; L252-Y255 HydrophobicContact CD2-CE2 4.04Å; L252-Y255 WeakPolarHBondContact O-CD2 3.36Å; L252-Y255 PolarHBondContact O-N 3.02Å; L252-T277 HydrophobicContact CD2-CG2 4.39Å; L252-T277 VanDerWaalsContact O-CB 3.24Å; L252-T277 WeakPolarHBondContact O-CB 3.34Å; L252-T277 WeakPolarHBondContact O-CG2 3.29Å; L252-V281 HydrophobicContact CB-CG2 4.14Å; L252-I284 HydrophobicContact CD1-CD1 3.7Å; L252-F296 HydrophobicContact CD2-CD2 3.86Å; L252-M370 HydrophobicContact CD1-CE 3.61Å; L252-M370 HydrophobicContact CD2-CE 4.34Å; L252-M370 HydrophobicContact CG-CE 4.25Å
253	G	94.9	Very high	97.5	Very high	26 Å²	26	29.4 Å²	29.4	27%	0.268	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-2	179.5	0	0	0	0	0	115.1	M251 R404	M251-G253 VanDerWaalsContact C-N 3.27Å; M251-G253 PolarHBondContact O-N 2.96Å; G253-R404 VanDerWaalsContact C-CZ 3.47Å; G253-R404 PolarHBondContact O-NH2 2.92Å
254	G	96.3	Very high	97.4	Very high	4 Å²	4	31 Å²	31	4%	0.041	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-17.3	178.8	0	0	0	0	0	115.9	M251 L252 G256 E257 F258	M251-G254 PolarHBondContact O-N 3.4Å; L252-G254 PolarHBondContact O-N 3.31Å; G254-G256 PolarHBondContact O-N 3.12Å; G254-E257 PolarHBondContact O-N 3.47Å; G254-F258 PolarHBondContact O-N 3.26Å; G254-F258 VanDerWaalsContact O-N 3.11Å
255	Y	97.7	Very high	97.4	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.012	17%	0.174	C	C	.	.	H	α-helix	trans	-62.3	-45.1	-170.4	-78.8	-74.4	0	0	0	113.5	L252 E257 F258 L259 T277 F296 L300 I396 L401	L252-Y255 HydrophobicContact CD2-CD2 4.21Å; L252-Y255 HydrophobicContact CD2-CE2 4.04Å; L252-Y255 WeakPolarHBondContact O-CD2 3.36Å; L252-Y255 PolarHBondContact O-N 3.02Å; Y255-E257 VanDerWaalsContact C-N 3.32Å; Y255-E257 PolarHBondContact O-N 3.44Å; Y255-F258 PolarHBondContact O-N 2.91Å; Y255-L259 WeakPolarHBondContact O-CB 3.39Å; Y255-L259 VanDerWaalsContact O-CG 3.3Å; Y255-L259 WeakPolarHBondContact O-CG 3.1Å; Y255-L259 PolarHBondContact O-N 3.18Å; Y255-T277 HydrophobicContact CD2-CG2 4.27Å; Y255-F296 HydrophobicContact CE2-CD2 4.38Å; Y255-F296 AromaticContact CE2-CE2 3.94Å; Y255-F296 HydrophobicContact CE2-CE2 3.94Å; Y255-F296 AromaticContact CZ-CE2 3.76Å; Y255-F296 VanDerWaalsContact OH-CE2 3.3Å; Y255-F296 WeakPolarHBondContact OH-CE2 3.45Å; Y255-L300 HydrophobicContact CD1-CD2 4.07Å; Y255-L300 HydrophobicContact CE1-CD2 3.35Å; Y255-I396 PolarHBondContact OH-O 2.68Å; Y255-L401 HydrophobicContact CD1-CD1 3.92Å; Y255-L401 HydrophobicContact CD2-CD1 4.4Å; Y255-L401 HydrophobicContact CE1-CD1 3.34Å; Y255-L401 HydrophobicContact CE2-CD1 3.88Å; Y255-L401 HydrophobicContact CG-CD1 4.39Å; Y255-L401 WeakPolarHBondContact OH-CD1 3.48Å
256	G	97.7	Very high	97.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-41.8	-176.1	0	0	0	0	0	112.6	G254 Y260 K270 D274	G254-G256 PolarHBondContact O-N 3.12Å; G256-Y260 WeakPolarHBondContact O-CB 3.18Å; G256-Y260 PolarHBondContact O-N 3.3Å; G256-K270 WeakPolarHBondContact O-CG 3.36Å; G256-D274 WeakPolarHBondContact CA-OD1 3.34Å
257	E	97.7	Very high	97.4	Very high	87 Å²	87	41.3 Å²	41.3	41%	0.407	22%	0.22	S	C	.	.	H	α-helix	trans	-69.3	-45.3	176.1	-168	61.5	-155.8	0	0	111.8	G254 Y255 Y260 Q261 K270	G254-E257 PolarHBondContact O-N 3.47Å; Y255-E257 VanDerWaalsContact C-N 3.32Å; Y255-E257 PolarHBondContact O-N 3.44Å; E257-Y260 PolarHBondContact O-N 3.21Å; E257-Q261 HydrophobicContact CG-CG 4.18Å; E257-Q261 WeakPolarHBondContact O-CB 3.15Å; E257-Q261 VanDerWaalsContact O-CG 3.25Å; E257-Q261 WeakPolarHBondContact O-CG 3.46Å; E257-Q261 PolarHBondContact O-N 2.87Å; E257-Q261 VanDerWaalsContact OE1-CG 3.3Å; E257-Q261 WeakPolarHBondContact OE1-CG 3.04Å; E257-Q261 PolarHBondContact OE1-NE2 2.96Å; E257-K270 WeakPolarHBondContact OE2-CE 3.41Å; E257-K270 IonicContact OE2-NZ 2.81Å
258	F	97.8	Very high	97.4	Very high	18 Å²	18	47.1 Å²	47.1	8%	0.079	25%	0.251	C	S	.	.	H	α-helix	trans	-59.4	-53.3	179.8	169.4	-110.1	0	0	0	112.1	G254 Y255 Y260 Q261 T262 M264 Y323 D394 V395 A398 P400	G254-F258 PolarHBondContact O-N 3.26Å; G254-F258 VanDerWaalsContact O-N 3.11Å; Y255-F258 PolarHBondContact O-N 2.91Å; F258-Y260 PolarHBondContact O-N 3.47Å; F258-Q261 PolarHBondContact O-N 3.1Å; F258-T262 HydrophobicContact CD2-CG2 3.92Å; F258-T262 HydrophobicContact CE2-CG2 3.55Å; F258-T262 HydrophobicContact CZ-CG2 3.97Å; F258-T262 WeakPolarHBondContact O-CG2 3.31Å; F258-T262 PolarHBondContact O-N 2.93Å; F258-T262 VanDerWaalsContact O-N 3.08Å; F258-T262 PolarHBondContact O-OG1 3.23Å; F258-M264 HydrophobicContact CD1-CE 4.49Å; F258-M264 HydrophobicContact CE1-CE 3.79Å; F258-M264 HydrophobicContact CZ-CE 4.12Å; F258-Y323 HydrophobicContact CZ-CD1 4.26Å; F258-Y323 HydrophobicContact CZ-CE1 4.11Å; F258-D394 WeakPolarHBondContact CZ-O 3.49Å; F258-V395 HydrophobicContact CE1-CB 4.27Å; F258-V395 HydrophobicContact CE1-CG1 4.03Å; F258-V395 HydrophobicContact CE1-CG2 4.35Å; F258-A398 HydrophobicContact CD1-CB 3.94Å; F258-A398 HydrophobicContact CD2-CB 4.16Å; F258-A398 HydrophobicContact CE1-CB 3.63Å; F258-A398 HydrophobicContact CE2-CB 3.84Å; F258-A398 HydrophobicContact CG-CB 4.19Å; F258-A398 HydrophobicContact CZ-CB 3.56Å; F258-P400 HydrophobicContact CD2-CG 3.92Å; F258-P400 HydrophobicContact CE2-CG 4.43Å
259	L	97.9	Very high	97.4	Very high	4 Å²	4	49.7 Å²	49.7	2%	0.021	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-33.9	-179.4	-66.2	177	0	0	0	112.1	Y255 T262 M264 I265 V273 F311 V395	Y255-L259 WeakPolarHBondContact O-CB 3.39Å; Y255-L259 VanDerWaalsContact O-CG 3.3Å; Y255-L259 WeakPolarHBondContact O-CG 3.1Å; Y255-L259 PolarHBondContact O-N 3.18Å; L259-T262 PolarHBondContact O-OG1 3.46Å; L259-T262 VanDerWaalsContact O-OG1 3.12Å; L259-M264 HydrophobicContact CD2-CB 4.49Å; L259-M264 HydrophobicContact CD2-CE 3.54Å; L259-M264 HydrophobicContact CD2-SD 4.14Å; L259-M264 PolarHBondContact O-N 2.7Å; L259-I265 HydrophobicContact CB-CD1 3.52Å; L259-I265 HydrophobicContact CB-CG1 3.7Å; L259-I265 HydrophobicContact CB-CG2 4.3Å; L259-I265 HydrophobicContact CD1-CD1 4.21Å; L259-I265 PolarHBondContact O-N 3.13Å; L259-V273 HydrophobicContact CD1-CG1 4.43Å; L259-V273 HydrophobicContact CD1-CG2 4.38Å; L259-F311 HydrophobicContact CD2-CD2 4.43Å; L259-V395 HydrophobicContact CD2-CG1 3.85Å
260	Y	98.4	Very high	97.5	Very high	98 Å²	98	48.3 Å²	48.3	38%	0.384	26%	0.256	S	S	.	.	H	α-helix	trans	-71.9	-47.2	177.5	175.9	-109.2	0	0	0	112	G256 E257 F258 T262 G263 K270	G256-Y260 WeakPolarHBondContact O-CB 3.18Å; G256-Y260 PolarHBondContact O-N 3.3Å; E257-Y260 PolarHBondContact O-N 3.21Å; F258-Y260 PolarHBondContact O-N 3.47Å; Y260-T262 VanDerWaalsContact C-N 3.27Å; Y260-T262 PolarHBondContact O-N 3.45Å; Y260-G263 PolarHBondContact O-N 3.11Å; Y260-K270 HydrophobicContact CD1-CD 4.19Å; Y260-K270 HydrophobicContact CD2-CD 4.4Å; Y260-K270 HydrophobicContact CG-CD 3.88Å
261	Q	97.6	Very high	97.5	Very high	128 Å²	128	51.5 Å²	51.5	60%	0.598	27%	0.269	S	S	*	.	H	α-helix	trans	-70	-24	-177.1	-67.4	-64.8	-18.1	0	0	113.1	E257 F258 G263	E257-Q261 HydrophobicContact CG-CG 4.18Å; E257-Q261 WeakPolarHBondContact O-CB 3.15Å; E257-Q261 VanDerWaalsContact O-CG 3.25Å; E257-Q261 WeakPolarHBondContact O-CG 3.46Å; E257-Q261 PolarHBondContact O-N 2.87Å; E257-Q261 VanDerWaalsContact OE1-CG 3.3Å; E257-Q261 WeakPolarHBondContact OE1-CG 3.04Å; E257-Q261 PolarHBondContact OE1-NE2 2.96Å; F258-Q261 PolarHBondContact O-N 3.1Å; Q261-G263 VanDerWaalsContact C-N 3.29Å
262	T	96.3	Very high	97.5	Very high	51 Å²	51	56 Å²	56	31%	0.313	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.8	171.4	58.3	0	0	0	0	113.1	F258 L259 Y260 M264 Y323	F258-T262 HydrophobicContact CD2-CG2 3.92Å; F258-T262 HydrophobicContact CE2-CG2 3.55Å; F258-T262 HydrophobicContact CZ-CG2 3.97Å; F258-T262 WeakPolarHBondContact O-CG2 3.31Å; F258-T262 PolarHBondContact O-N 2.93Å; F258-T262 VanDerWaalsContact O-N 3.08Å; F258-T262 PolarHBondContact O-OG1 3.23Å; L259-T262 PolarHBondContact O-OG1 3.46Å; L259-T262 VanDerWaalsContact O-OG1 3.12Å; Y260-T262 VanDerWaalsContact C-N 3.27Å; Y260-T262 PolarHBondContact O-N 3.45Å; T262-M264 VanDerWaalsContact C-N 3.3Å; T262-M264 HydrophobicContact CG2-CE 4.24Å; T262-M264 PolarHBondContact O-N 3.14Å; T262-M264 WeakPolarHBondContact OG1-CE 3.25Å; T262-Y323 HydrophobicContact CG2-CE1 4.45Å
263	G	96.4	Very high	97.6	Very high	63 Å²	63	56 Å²	56	65%	0.649	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	11.4	179.5	0	0	0	0	0	114.7	Y260 Q261 I265	Y260-G263 PolarHBondContact O-N 3.11Å; Q261-G263 VanDerWaalsContact C-N 3.29Å; G263-I265 VanDerWaalsContact C-N 3.33Å
264	M	96.4	Very high	97.7	Very high	35 Å²	35	57 Å²	57	17%	0.172	29%	0.286	C	S	.	.	S	Bend	trans	-73.1	-26.8	178	-71.2	-171.1	-88.3	0	0	112.6	F258 L259 T262 F311 T315 Y323 V395	F258-M264 HydrophobicContact CD1-CE 4.49Å; F258-M264 HydrophobicContact CE1-CE 3.79Å; F258-M264 HydrophobicContact CZ-CE 4.12Å; L259-M264 HydrophobicContact CD2-CB 4.49Å; L259-M264 HydrophobicContact CD2-CE 3.54Å; L259-M264 HydrophobicContact CD2-SD 4.14Å; L259-M264 PolarHBondContact O-N 2.7Å; T262-M264 VanDerWaalsContact C-N 3.3Å; T262-M264 HydrophobicContact CG2-CE 4.24Å; T262-M264 PolarHBondContact O-N 3.14Å; T262-M264 WeakPolarHBondContact OG1-CE 3.25Å; M264-F311 HydrophobicContact SD-CE2 3.81Å; M264-F311 HydrophobicContact SD-CZ 4.49Å; M264-T315 HydrophobicContact CB-CG2 4.15Å; M264-Y323 HydrophobicContact CE-CD1 4.22Å; M264-Y323 HydrophobicContact CE-CG 4.42Å; M264-V395 HydrophobicContact CE-CG1 4.35Å; M264-V395 HydrophobicContact CE-CG2 3.92Å; M264-V395 HydrophobicContact SD-CG2 4.22Å
265	I	97.9	Very high	97.8	Very high	10 Å²	10	63.8 Å²	63.8	5%	0.051	31%	0.314	C	S	.	.	S	Bend	trans	-134.8	154.1	178	68.1	177.2	0	0	0	112.4	L259 G263 Q269 K270 V273 F310 A314	L259-I265 HydrophobicContact CB-CD1 3.52Å; L259-I265 HydrophobicContact CB-CG1 3.7Å; L259-I265 HydrophobicContact CB-CG2 4.3Å; L259-I265 HydrophobicContact CD1-CD1 4.21Å; L259-I265 PolarHBondContact O-N 3.13Å; G263-I265 VanDerWaalsContact C-N 3.33Å; I265-Q269 VanDerWaalsContact CA-OE1 3.28Å; I265-Q269 HydrophobicContact CB-CB 3.73Å; I265-Q269 HydrophobicContact CD1-CB 4.5Å; I265-Q269 HydrophobicContact CG1-CB 4.47Å; I265-Q269 HydrophobicContact CG2-CB 4.3Å; I265-K270 HydrophobicContact CD1-CB 4.07Å; I265-V273 HydrophobicContact CD1-CB 4.43Å; I265-V273 HydrophobicContact CD1-CG2 3.79Å; I265-F310 HydrophobicContact CG2-CE1 4.11Å; I265-F310 HydrophobicContact CG2-CZ 4.47Å; I265-A314 HydrophobicContact CG2-CB 4.23Å
266	D	97.9	Very high	97.9	Very high	80 Å²	80	65.7 Å²	65.7	43%	0.428	32%	0.323	S	S	.	.			trans	-85.2	-178.3	173.4	80.1	16.8	0	0	0	113.1	L268 Q269 K270	D266-L268 PolarHBondContact O-N 3.05Å; D266-L268 WeakPolarHBondContact OD1-CA 3.46Å; D266-L268 WeakPolarHBondContact OD1-CB 3.38Å; D266-L268 PolarHBondContact OD1-N 2.84Å; D266-Q269 WeakPolarHBondContact OD1-CB 3.42Å; D266-Q269 WeakPolarHBondContact OD1-CG 3.42Å; D266-Q269 PolarHBondContact OD1-N 3.36Å; D266-K270 WeakPolarHBondContact O-CB 3.29Å; D266-K270 PolarHBondContact O-N 2.95Å
267	K	98.2	Very high	97.9	Very high	143 Å²	143	65.8 Å²	65.8	62%	0.622	32%	0.324	S	S	*	.	H	α-helix	trans	-65.7	-34.8	-178.9	-172.9	176.1	-178.5	177.5	0	113.6	Q271	K267-Q271 WeakPolarHBondContact O-CG 3.39Å; K267-Q271 PolarHBondContact O-N 3.47Å
268	L	98.2	Very high	97.9	Very high	123 Å²	123	66 Å²	66	64%	0.644	33%	0.328	S	S	*	.	H	α-helix	trans	-73.6	-43.5	179.9	-68.2	173.5	0	0	0	110.3	D266 K270 Q271 Y272	D266-L268 PolarHBondContact O-N 3.05Å; D266-L268 WeakPolarHBondContact OD1-CA 3.46Å; D266-L268 WeakPolarHBondContact OD1-CB 3.38Å; D266-L268 PolarHBondContact OD1-N 2.84Å; L268-K270 VanDerWaalsContact C-N 3.33Å; L268-Q271 WeakPolarHBondContact O-CB 3.25Å; L268-Q271 PolarHBondContact O-N 3.21Å; L268-Y272 PolarHBondContact O-N 3.29Å
269	Q	98.4	Very high	97.9	Very high	57 Å²	57	68.5 Å²	68.5	27%	0.266	34%	0.341	S	S	.	.	H	α-helix	trans	-59.5	-43.4	172.1	-75.7	174.4	-33.9	0	0	111.1	I265 D266 Q271 Y272 V273 F310	I265-Q269 VanDerWaalsContact CA-OE1 3.28Å; I265-Q269 HydrophobicContact CB-CB 3.73Å; I265-Q269 HydrophobicContact CD1-CB 4.5Å; I265-Q269 HydrophobicContact CG1-CB 4.47Å; I265-Q269 HydrophobicContact CG2-CB 4.3Å; D266-Q269 WeakPolarHBondContact OD1-CB 3.42Å; D266-Q269 WeakPolarHBondContact OD1-CG 3.42Å; D266-Q269 PolarHBondContact OD1-N 3.36Å; Q269-Q271 VanDerWaalsContact C-N 3.34Å; Q269-Q271 PolarHBondContact O-N 3.3Å; Q269-Y272 WeakPolarHBondContact O-CB 3.36Å; Q269-Y272 PolarHBondContact O-N 3.39Å; Q269-Y272 VanDerWaalsContact O-N 3.09Å; Q269-V273 WeakPolarHBondContact O-CG2 3.17Å; Q269-V273 PolarHBondContact O-N 3.49Å; Q269-F310 HydrophobicContact CB-CZ 3.87Å; Q269-F310 HydrophobicContact CG-CE2 4.49Å; Q269-F310 HydrophobicContact CG-CZ 4.06Å
270	K	98.4	Very high	98	Very high	34 Å²	34	68.3 Å²	68.3	15%	0.148	34%	0.341	C	S	.	.	H	α-helix	trans	-55.6	-46.3	174	-177.3	-175.4	-169.8	-55.4	0	112.5	G256 E257 Y260 I265 D266 L268 Y272 V273 D274	G256-K270 WeakPolarHBondContact O-CG 3.36Å; E257-K270 WeakPolarHBondContact OE2-CE 3.41Å; E257-K270 IonicContact OE2-NZ 2.81Å; Y260-K270 HydrophobicContact CD1-CD 4.19Å; Y260-K270 HydrophobicContact CD2-CD 4.4Å; Y260-K270 HydrophobicContact CG-CD 3.88Å; I265-K270 HydrophobicContact CD1-CB 4.07Å; D266-K270 WeakPolarHBondContact O-CB 3.29Å; D266-K270 PolarHBondContact O-N 2.95Å; L268-K270 VanDerWaalsContact C-N 3.33Å; K270-Y272 PolarHBondContact O-N 3.04Å; K270-V273 PolarHBondContact O-N 2.84Å; K270-V273 VanDerWaalsContact O-N 3.13Å; K270-D274 VanDerWaalsContact NZ-CG 3.29Å; K270-D274 IonicContact NZ-OD1 2.62Å; K270-D274 PolarHBondContact NZ-OD1 2.86Å; K270-D274 IonicContact NZ-OD2 2.77Å; K270-D274 PolarHBondContact NZ-OD2 3.38Å; K270-D274 VanDerWaalsContact O-CG 3.27Å; K270-D274 PolarHBondContact O-N 2.88Å
271	Q	98.4	Very high	98	Very high	113 Å²	113	64.9 Å²	64.9	53%	0.528	33%	0.33	S	S	.	.	H	α-helix	trans	-59.9	-36.1	178	-71.5	173.1	-8.5	0	0	112.4	K267 L268 Q269 K275	K267-Q271 WeakPolarHBondContact O-CG 3.39Å; K267-Q271 PolarHBondContact O-N 3.47Å; L268-Q271 WeakPolarHBondContact O-CB 3.25Å; L268-Q271 PolarHBondContact O-N 3.21Å; Q269-Q271 VanDerWaalsContact C-N 3.34Å; Q269-Q271 PolarHBondContact O-N 3.3Å; Q271-K275 WeakPolarHBondContact O-CB 3.17Å; Q271-K275 PolarHBondContact O-N 2.98Å
272	Y	98.3	Very high	98	Very high	98 Å²	98	63.7 Å²	63.7	38%	0.384	32%	0.324	S	S	.	.	H	α-helix	trans	-66.1	-48.2	173.4	172.5	-95.4	0	0	0	111.5	L268 Q269 K270 K275 Q276 F310	L268-Y272 PolarHBondContact O-N 3.29Å; Q269-Y272 WeakPolarHBondContact O-CB 3.36Å; Q269-Y272 PolarHBondContact O-N 3.39Å; Q269-Y272 VanDerWaalsContact O-N 3.09Å; K270-Y272 PolarHBondContact O-N 3.04Å; Y272-K275 PolarHBondContact O-N 3.23Å; Y272-Q276 HydrophobicContact CD1-CG 4.23Å; Y272-Q276 HydrophobicContact CD2-CG 4.49Å; Y272-Q276 HydrophobicContact CE1-CG 3.7Å; Y272-Q276 HydrophobicContact CE2-CG 3.99Å; Y272-Q276 WeakPolarHBondContact O-CG 3.21Å; Y272-Q276 PolarHBondContact O-N 2.83Å; Y272-F310 AromaticContact CD1-CD2 3.54Å; Y272-F310 HydrophobicContact CD1-CD2 3.54Å; Y272-F310 AromaticContact CD1-CE2 3.44Å; Y272-F310 HydrophobicContact CD1-CE2 3.44Å; Y272-F310 VanDerWaalsContact CD1-CE2 3.44Å; Y272-F310 HydrophobicContact CD1-CG 4.13Å; Y272-F310 AromaticContact CD1-CZ 3.97Å; Y272-F310 HydrophobicContact CD1-CZ 3.97Å; Y272-F310 HydrophobicContact CE1-CB 4.22Å; Y272-F310 AromaticContact CE1-CD2 3.37Å; Y272-F310 HydrophobicContact CE1-CD2 3.37Å; Y272-F310 AromaticContact CE1-CE2 3.82Å; Y272-F310 HydrophobicContact CE1-CE2 3.82Å; Y272-F310 AromaticContact CE1-CG 3.8Å; Y272-F310 HydrophobicContact CE1-CG 3.8Å; Y272-F310 HydrophobicContact CG-CE2 4.35Å
273	V	98.3	Very high	98.1	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-58.1	-50.1	178.1	177.2	0	0	0	0	110.9	L259 I265 Q269 K270 K275 Q276 T277 L299 F310	L259-V273 HydrophobicContact CD1-CG1 4.43Å; L259-V273 HydrophobicContact CD1-CG2 4.38Å; I265-V273 HydrophobicContact CD1-CB 4.43Å; I265-V273 HydrophobicContact CD1-CG2 3.79Å; Q269-V273 WeakPolarHBondContact O-CG2 3.17Å; Q269-V273 PolarHBondContact O-N 3.49Å; K270-V273 PolarHBondContact O-N 2.84Å; K270-V273 VanDerWaalsContact O-N 3.13Å; V273-K275 VanDerWaalsContact C-N 3.28Å; V273-K275 PolarHBondContact O-N 3.41Å; V273-Q276 PolarHBondContact O-N 3.01Å; V273-T277 HydrophobicContact CG1-CG2 4.17Å; V273-T277 WeakPolarHBondContact O-CG2 3.25Å; V273-T277 PolarHBondContact O-N 3.24Å; V273-T277 PolarHBondContact O-OG1 3.1Å; V273-T277 VanDerWaalsContact O-OG1 3.13Å; V273-L299 HydrophobicContact CB-CD1 4.43Å; V273-L299 HydrophobicContact CG1-CD1 4.16Å; V273-L299 HydrophobicContact CG1-CD2 4.2Å; V273-L299 HydrophobicContact CG2-CD1 4.03Å; V273-F310 HydrophobicContact CG2-CD1 3.95Å; V273-F310 HydrophobicContact CG2-CE1 3.32Å; V273-F310 HydrophobicContact CG2-CZ 3.84Å
274	D	98.4	Very high	98.2	Very high	47 Å²	47	59.5 Å²	59.5	25%	0.251	29%	0.285	S	S	.	.	H	α-helix	trans	-55.3	-44.4	178.4	-67.1	-22.2	0	0	0	110.8	G256 K270 Q276 T277 D278	G256-D274 WeakPolarHBondContact CA-OD1 3.34Å; K270-D274 VanDerWaalsContact NZ-CG 3.29Å; K270-D274 IonicContact NZ-OD1 2.62Å; K270-D274 PolarHBondContact NZ-OD1 2.86Å; K270-D274 IonicContact NZ-OD2 2.77Å; K270-D274 PolarHBondContact NZ-OD2 3.38Å; K270-D274 VanDerWaalsContact O-CG 3.27Å; K270-D274 PolarHBondContact O-N 2.88Å; D274-Q276 PolarHBondContact O-N 2.97Å; D274-T277 WeakPolarHBondContact CA-OG1 3.48Å; D274-T277 PolarHBondContact O-N 3.3Å; D274-T277 PolarHBondContact O-OG1 2.88Å; D274-T277 VanDerWaalsContact O-OG1 3.06Å; D274-D278 WeakPolarHBondContact O-CB 3.27Å; D274-D278 PolarHBondContact O-N 2.84Å
275	K	98.4	Very high	98.3	Very high	148 Å²	148	63.6 Å²	63.6	64%	0.643	30%	0.303	S	S	*	.	H	α-helix	trans	-64	-38.9	177.3	-175.5	-179.2	179	-176.4	0	112.8	Q271 Y272 V273 L279	Q271-K275 WeakPolarHBondContact O-CB 3.17Å; Q271-K275 PolarHBondContact O-N 2.98Å; Y272-K275 PolarHBondContact O-N 3.23Å; V273-K275 VanDerWaalsContact C-N 3.28Å; V273-K275 PolarHBondContact O-N 3.41Å; K275-L279 PolarHBondContact O-N 2.62Å
276	Q	98.1	Very high	98.3	Very high	42 Å²	42	67.9 Å²	67.9	20%	0.196	32%	0.324	C	S	.	.	H	α-helix	trans	-68.4	-45.8	177	-65.8	-42.6	-68.9	0	0	110.6	Y272 V273 D274 D278 L279 G280 V295	Y272-Q276 HydrophobicContact CD1-CG 4.23Å; Y272-Q276 HydrophobicContact CD2-CG 4.49Å; Y272-Q276 HydrophobicContact CE1-CG 3.7Å; Y272-Q276 HydrophobicContact CE2-CG 3.99Å; Y272-Q276 WeakPolarHBondContact O-CG 3.21Å; Y272-Q276 PolarHBondContact O-N 2.83Å; V273-Q276 PolarHBondContact O-N 3.01Å; D274-Q276 PolarHBondContact O-N 2.97Å; Q276-D278 PolarHBondContact O-N 3.21Å; Q276-L279 WeakPolarHBondContact O-CB 3.19Å; Q276-L279 PolarHBondContact O-N 3.38Å; Q276-G280 PolarHBondContact O-N 2.67Å; Q276-V295 HydrophobicContact CB-CG1 4.13Å; Q276-V295 WeakPolarHBondContact O-CG1 3.5Å
277	T	97.9	Very high	98.3	Very high	2 Å²	2	70.9 Å²	70.9	1%	0.012	34%	0.335	C	S	.	.	H	α-helix	trans	-67.5	-36.7	-178.5	54.5	0	0	0	0	112	L252 Y255 V273 D274 G280 V281 L299	L252-T277 HydrophobicContact CD2-CG2 4.39Å; L252-T277 VanDerWaalsContact O-CB 3.24Å; L252-T277 WeakPolarHBondContact O-CB 3.34Å; L252-T277 WeakPolarHBondContact O-CG2 3.29Å; Y255-T277 HydrophobicContact CD2-CG2 4.27Å; V273-T277 HydrophobicContact CG1-CG2 4.17Å; V273-T277 WeakPolarHBondContact O-CG2 3.25Å; V273-T277 PolarHBondContact O-N 3.24Å; V273-T277 PolarHBondContact O-OG1 3.1Å; V273-T277 VanDerWaalsContact O-OG1 3.13Å; D274-T277 WeakPolarHBondContact CA-OG1 3.48Å; D274-T277 PolarHBondContact O-N 3.3Å; D274-T277 PolarHBondContact O-OG1 2.88Å; D274-T277 VanDerWaalsContact O-OG1 3.06Å; T277-G280 PolarHBondContact O-N 3.25Å; T277-V281 WeakPolarHBondContact O-CG2 3.27Å; T277-V281 PolarHBondContact O-N 3.5Å; T277-L299 HydrophobicContact CG2-CD2 3.76Å
278	D	98.4	Very high	98.3	Very high	93 Å²	93	68.3 Å²	68.3	50%	0.497	32%	0.324	S	S	.	.	H	α-helix	trans	-58.7	-46.1	171.2	-73.9	-16.2	0	0	0	111.3	D274 Q276 G280 V281 E282	D274-D278 WeakPolarHBondContact O-CB 3.27Å; D274-D278 PolarHBondContact O-N 2.84Å; Q276-D278 PolarHBondContact O-N 3.21Å; D278-G280 VanDerWaalsContact C-N 3.34Å; D278-G280 PolarHBondContact O-N 3.13Å; D278-V281 PolarHBondContact O-N 3.02Å; D278-E282 WeakPolarHBondContact O-CG 3.45Å; D278-E282 PolarHBondContact O-N 3.06Å
279	L	98.5	Very high	98.3	Very high	69 Å²	69	64.4 Å²	64.4	36%	0.361	30%	0.3	S	S	.	.	H	α-helix	trans	-60.2	-43.1	173.7	174.4	64.1	0	0	0	111.7	K275 Q276 V281 E282 L283 V295	K275-L279 PolarHBondContact O-N 2.62Å; Q276-L279 WeakPolarHBondContact O-CB 3.19Å; Q276-L279 PolarHBondContact O-N 3.38Å; L279-V281 VanDerWaalsContact C-N 3.32Å; L279-V281 PolarHBondContact O-N 3.07Å; L279-E282 PolarHBondContact O-N 3.19Å; L279-L283 HydrophobicContact CD1-CD1 4.13Å; L279-L283 HydrophobicContact CD1-CG 4.18Å; L279-L283 HydrophobicContact CG-CD1 3.96Å; L279-L283 HydrophobicContact CG-CG 4.45Å; L279-L283 WeakPolarHBondContact O-CB 3.43Å; L279-L283 VanDerWaalsContact O-CG 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 3.04Å; L279-V295 HydrophobicContact CD2-CG2 4.18Å; L279-V295 HydrophobicContact CG-CG2 4.31Å
280	G	98.4	Very high	98.2	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-58.8	-43.2	176.2	0	0	0	0	0	112.3	Q276 T277 D278 L283 I284	Q276-G280 PolarHBondContact O-N 2.67Å; T277-G280 PolarHBondContact O-N 3.25Å; D278-G280 VanDerWaalsContact C-N 3.34Å; D278-G280 PolarHBondContact O-N 3.13Å; G280-L283 PolarHBondContact O-N 3.3Å; G280-I284 WeakPolarHBondContact O-CG1 3.24Å; G280-I284 PolarHBondContact O-N 3.11Å
281	V	98.6	Very high	98.1	Very high	26 Å²	26	65.6 Å²	65.6	16%	0.158	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-46	175.3	169.9	0	0	0	0	111.4	E249 L252 T277 D278 L279 L283 I284 Q285	E249-V281 HydrophobicContact CG-CG1 4.03Å; E249-V281 VanDerWaalsContact O-CG2 3.28Å; E249-V281 WeakPolarHBondContact O-CG2 3.17Å; L252-V281 HydrophobicContact CB-CG2 4.14Å; T277-V281 WeakPolarHBondContact O-CG2 3.27Å; T277-V281 PolarHBondContact O-N 3.5Å; D278-V281 PolarHBondContact O-N 3.02Å; L279-V281 VanDerWaalsContact C-N 3.32Å; L279-V281 PolarHBondContact O-N 3.07Å; V281-L283 VanDerWaalsContact C-N 3.29Å; V281-L283 PolarHBondContact O-N 3.17Å; V281-I284 WeakPolarHBondContact O-CB 3.49Å; V281-I284 PolarHBondContact O-N 2.96Å; V281-Q285 WeakPolarHBondContact O-CG 3.47Å; V281-Q285 PolarHBondContact O-N 2.55Å
282	E	98.6	Very high	98.1	Very high	104 Å²	104	60.2 Å²	60.2	49%	0.486	28%	0.283	S	S	.	.	H	α-helix	trans	-58.9	-40.9	176	-73.3	178.4	-176.2	0	0	112	D278 L279 Q285 Q286	D278-E282 WeakPolarHBondContact O-CG 3.45Å; D278-E282 PolarHBondContact O-N 3.06Å; L279-E282 PolarHBondContact O-N 3.19Å; E282-Q285 PolarHBondContact O-N 3.29Å; E282-Q286 WeakPolarHBondContact O-CB 3.38Å; E282-Q286 VanDerWaalsContact O-CG 3.22Å; E282-Q286 WeakPolarHBondContact O-CG 3.41Å; E282-Q286 PolarHBondContact O-N 3.19Å; E282-Q286 PolarHBondContact O-NE2 3.44Å
283	L	98.6	Very high	98	Very high	20 Å²	20	55.7 Å²	55.7	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-66.6	-41.7	177.6	-70.2	168.2	0	0	0	111.8	L279 G280 V281 Q286 Q287 K288 E291 A292 V295	L279-L283 HydrophobicContact CD1-CD1 4.13Å; L279-L283 HydrophobicContact CD1-CG 4.18Å; L279-L283 HydrophobicContact CG-CD1 3.96Å; L279-L283 HydrophobicContact CG-CG 4.45Å; L279-L283 WeakPolarHBondContact O-CB 3.43Å; L279-L283 VanDerWaalsContact O-CG 3.22Å; L279-L283 WeakPolarHBondContact O-CG 3.36Å; L279-L283 PolarHBondContact O-N 3.04Å; G280-L283 PolarHBondContact O-N 3.3Å; V281-L283 VanDerWaalsContact C-N 3.29Å; V281-L283 PolarHBondContact O-N 3.17Å; L283-Q286 CarbonylContact O-C 3.16Å; L283-Q286 PolarHBondContact O-N 3.04Å; L283-Q287 PolarHBondContact O-N 2.81Å; L283-Q287 VanDerWaalsContact O-N 3.14Å; L283-K288 HydrophobicContact CB-CB 4.26Å; L283-K288 HydrophobicContact CD2-CB 3.99Å; L283-K288 HydrophobicContact CD2-CD 3.67Å; L283-K288 PolarHBondContact O-N 2.71Å; L283-E291 HydrophobicContact CD1-CB 3.98Å; L283-E291 HydrophobicContact CD2-CB 4.05Å; L283-A292 HydrophobicContact CB-CB 3.84Å; L283-V295 HydrophobicContact CD1-CG2 3.88Å
284	I	98.5	Very high	97.8	Very high	6 Å²	6	60.9 Å²	60.9	3%	0.031	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-48.8	172.1	-74.8	170.5	0	0	0	110.5	P248 E249 L252 G280 V281 Q286 Q287 W289 A292 M370	P248-I284 HydrophobicContact CB-CD1 4.1Å; E249-I284 HydrophobicContact CB-CD1 4.31Å; E249-I284 HydrophobicContact CB-CG2 3.78Å; E249-I284 HydrophobicContact CG-CG2 3.93Å; L252-I284 HydrophobicContact CD1-CD1 3.7Å; G280-I284 WeakPolarHBondContact O-CG1 3.24Å; G280-I284 PolarHBondContact O-N 3.11Å; V281-I284 WeakPolarHBondContact O-CB 3.49Å; V281-I284 PolarHBondContact O-N 2.96Å; I284-Q286 PolarHBondContact O-N 2.94Å; I284-Q287 WeakPolarHBondContact O-CA 3.44Å; I284-Q287 PolarHBondContact O-N 2.85Å; I284-W289 HydrophobicContact CB-CE3 4.47Å; I284-W289 HydrophobicContact CB-CZ3 3.91Å; I284-W289 HydrophobicContact CG1-CE3 4.3Å; I284-W289 HydrophobicContact CG1-CZ3 4.14Å; I284-W289 HydrophobicContact CG2-CE3 4.48Å; I284-W289 HydrophobicContact CG2-CH2 4.25Å; I284-W289 HydrophobicContact CG2-CZ3 3.53Å; I284-W289 WeakPolarHBondContact O-CH2 3.47Å; I284-W289 VanDerWaalsContact O-CZ3 3.25Å; I284-W289 WeakPolarHBondContact O-CZ3 3.38Å; I284-A292 HydrophobicContact CD1-CB 4.49Å; I284-A292 HydrophobicContact CG1-CB 3.7Å; I284-M370 HydrophobicContact CD1-CB 4.23Å; I284-M370 HydrophobicContact CD1-CE 4.24Å; I284-M370 HydrophobicContact CG1-CB 3.98Å
285	Q	98.1	Very high	97.7	Very high	120 Å²	120	59.3 Å²	59.3	56%	0.561	28%	0.28	S	S	*	.	H	α-helix	trans	-63.2	-30.8	-180	-70.6	172.6	-4.2	0	0	112.3	E249 V281 E282 Q287	E249-Q285 WeakPolarHBondContact OE1-CG 3.41Å; E249-Q285 PolarHBondContact OE1-NE2 2.93Å; V281-Q285 WeakPolarHBondContact O-CG 3.47Å; V281-Q285 PolarHBondContact O-N 2.55Å; E282-Q285 PolarHBondContact O-N 3.29Å; Q285-Q287 PolarHBondContact O-N 2.92Å
286	Q	98.3	Very high	97.5	Very high	101 Å²	101	52.9 Å²	52.9	47%	0.472	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	1.9	172.1	-67.8	169.1	40	0	0	113.8	E282 L283 I284 K288	E282-Q286 WeakPolarHBondContact O-CB 3.38Å; E282-Q286 VanDerWaalsContact O-CG 3.22Å; E282-Q286 WeakPolarHBondContact O-CG 3.41Å; E282-Q286 PolarHBondContact O-N 3.19Å; E282-Q286 PolarHBondContact O-NE2 3.44Å; L283-Q286 CarbonylContact O-C 3.16Å; L283-Q286 PolarHBondContact O-N 3.04Å; I284-Q286 PolarHBondContact O-N 2.94Å; Q286-K288 HydrophobicContact CB-CD 4.22Å; Q286-K288 HydrophobicContact CB-CG 4.18Å; Q286-K288 PolarHBondContact O-N 3.46Å
287	Q	98.1	Very high	97.2	Very high	142 Å²	142	50.9 Å²	50.9	66%	0.664	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	25.2	-175.8	-50	-174.6	-35.3	0	0	114.3	L283 I284 Q285 W289	L283-Q287 PolarHBondContact O-N 2.81Å; L283-Q287 VanDerWaalsContact O-N 3.14Å; I284-Q287 WeakPolarHBondContact O-CA 3.44Å; I284-Q287 PolarHBondContact O-N 2.85Å; Q285-Q287 PolarHBondContact O-N 2.92Å; Q287-W289 VanDerWaalsContact C-N 3.3Å; Q287-W289 HydrophobicContact CB-CH2 4.43Å; Q287-W289 HydrophobicContact CB-CZ2 3.64Å; Q287-W289 HydrophobicContact CG-CH2 4.29Å; Q287-W289 HydrophobicContact CG-CZ2 3.68Å; Q287-W289 PolarHBondContact O-N 3.42Å; Q287-W289 PolarHBondContact O-NE1 3.11Å
288	K	98.3	Very high	97	Very high	90 Å²	90	53.1 Å²	53.1	39%	0.391	26%	0.258	S	S	.	.			trans	-89	67.3	174.5	-68.7	177.7	179.2	164.7	0	109.8	L283 Q286 V290 E291 A292	L283-K288 HydrophobicContact CB-CB 4.26Å; L283-K288 HydrophobicContact CD2-CB 3.99Å; L283-K288 HydrophobicContact CD2-CD 3.67Å; L283-K288 PolarHBondContact O-N 2.71Å; Q286-K288 HydrophobicContact CB-CD 4.22Å; Q286-K288 HydrophobicContact CB-CG 4.18Å; Q286-K288 PolarHBondContact O-N 3.46Å; K288-V290 PolarHBondContact O-N 3.19Å; K288-E291 HydrophobicContact CB-CB 4.21Å; K288-E291 WeakPolarHBondContact CB-OE2 3.36Å; K288-E291 PolarHBondContact O-N 2.87Å; K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.03Å
289	W	97.9	Very high	96.8	Very high	40 Å²	40	48.9 Å²	48.9	15%	0.152	24%	0.236	C	C	.	.	H	α-helix	trans	-63.1	-40.4	-168.2	-50.1	116.9	0	0	0	113.5	I284 Q287 A292 F293 Q367 M370 K371	I284-W289 HydrophobicContact CB-CE3 4.47Å; I284-W289 HydrophobicContact CB-CZ3 3.91Å; I284-W289 HydrophobicContact CG1-CE3 4.3Å; I284-W289 HydrophobicContact CG1-CZ3 4.14Å; I284-W289 HydrophobicContact CG2-CE3 4.48Å; I284-W289 HydrophobicContact CG2-CH2 4.25Å; I284-W289 HydrophobicContact CG2-CZ3 3.53Å; I284-W289 WeakPolarHBondContact O-CH2 3.47Å; I284-W289 VanDerWaalsContact O-CZ3 3.25Å; I284-W289 WeakPolarHBondContact O-CZ3 3.38Å; Q287-W289 VanDerWaalsContact C-N 3.3Å; Q287-W289 HydrophobicContact CB-CH2 4.43Å; Q287-W289 HydrophobicContact CB-CZ2 3.64Å; Q287-W289 HydrophobicContact CG-CH2 4.29Å; Q287-W289 HydrophobicContact CG-CZ2 3.68Å; Q287-W289 PolarHBondContact O-N 3.42Å; Q287-W289 PolarHBondContact O-NE1 3.11Å; W289-A292 PolarHBondContact O-N 3.29Å; W289-F293 PolarHBondContact O-N 2.86Å; W289-Q367 WeakPolarHBondContact CB-O 3.38Å; W289-M370 HydrophobicContact CE3-CB 4.07Å; W289-M370 WeakPolarHBondContact CZ3-O 3.46Å; W289-M370 WeakPolarHBondContact O-CG 3.37Å; W289-K371 HydrophobicContact CD2-CG 3.75Å; W289-K371 HydrophobicContact CE3-CG 4.05Å; W289-K371 HydrophobicContact CG-CG 4.17Å; W289-K371 HydrophobicContact CH2-CG 4.4Å; W289-K371 HydrophobicContact CZ2-CG 4.13Å; W289-K371 HydrophobicContact CZ3-CG 4.35Å; W289-K371 VanDerWaalsContact NE1-CE 3.34Å
290	V	96.1	Very high	96.4	Very high	26 Å²	26	45.8 Å²	45.8	16%	0.158	22%	0.219	C	C	.	.	H	α-helix	trans	-70.3	-39.9	-179.1	173.5	0	0	0	0	110.8	K288 F293 K294 L366 Q367	K288-V290 PolarHBondContact O-N 3.19Å; V290-F293 WeakPolarHBondContact O-CB 3.18Å; V290-F293 PolarHBondContact O-N 2.87Å; V290-K294 WeakPolarHBondContact O-CG 3.04Å; V290-K294 PolarHBondContact O-N 3.32Å; V290-L366 HydrophobicContact CG1-CD2 3.77Å; V290-L366 HydrophobicContact CG1-CG 4.4Å; V290-L366 HydrophobicContact CG2-CD2 4.13Å; V290-L366 HydrophobicContact CG2-CG 4.2Å; V290-Q367 HydrophobicContact CG2-CG 3.97Å; V290-Q367 VanDerWaalsContact CG2-NE2 3.34Å
291	E	96.9	Very high	95.6	Very high	90 Å²	90	46.4 Å²	46.4	42%	0.421	22%	0.223	S	C	.	.	H	α-helix	trans	-66.8	-40.5	175.3	-64.1	87.3	158.7	0	0	111.4	L283 K288 F293 K294 V295	L283-E291 HydrophobicContact CD1-CB 3.98Å; L283-E291 HydrophobicContact CD2-CB 4.05Å; K288-E291 HydrophobicContact CB-CB 4.21Å; K288-E291 WeakPolarHBondContact CB-OE2 3.36Å; K288-E291 PolarHBondContact O-N 2.87Å; E291-F293 VanDerWaalsContact C-N 3.31Å; E291-F293 PolarHBondContact O-N 2.98Å; E291-K294 PolarHBondContact O-N 2.79Å; E291-V295 PolarHBondContact O-N 2.8Å
292	A	97.8	Very high	94.8	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-41.1	172.4	0	0	0	0	0	111.5	L283 I284 K288 W289 K294 V295 F296 M370	L283-A292 HydrophobicContact CB-CB 3.84Å; I284-A292 HydrophobicContact CD1-CB 4.49Å; I284-A292 HydrophobicContact CG1-CB 3.7Å; K288-A292 WeakPolarHBondContact O-CB 3.47Å; K288-A292 PolarHBondContact O-N 3.03Å; W289-A292 PolarHBondContact O-N 3.29Å; A292-K294 VanDerWaalsContact C-N 3.32Å; A292-K294 PolarHBondContact O-N 3.02Å; A292-V295 WeakPolarHBondContact O-CB 3.37Å; A292-V295 PolarHBondContact O-N 3.42Å; A292-F296 PolarHBondContact O-N 2.95Å; A292-M370 HydrophobicContact CB-CB 4.02Å; A292-M370 HydrophobicContact CB-CE 4.19Å; A292-M370 HydrophobicContact CB-CG 3.85Å; A292-M370 WeakPolarHBondContact O-CE 3.23Å
293	F	95.5	Very high	93.5	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.018	20%	0.201	C	C	.	.	H	α-helix	trans	-60.9	-42.3	176.3	175.1	-93.1	0	0	0	111.3	W289 V290 E291 V295 F296 D297 V304 L366 V369 M370	W289-F293 PolarHBondContact O-N 2.86Å; V290-F293 WeakPolarHBondContact O-CB 3.18Å; V290-F293 PolarHBondContact O-N 2.87Å; E291-F293 VanDerWaalsContact C-N 3.31Å; E291-F293 PolarHBondContact O-N 2.98Å; F293-V295 VanDerWaalsContact C-N 3.26Å; F293-V295 PolarHBondContact O-N 2.98Å; F293-F296 CarbonylContact O-C 3.39Å; F293-F296 WeakPolarHBondContact O-CA 3.48Å; F293-F296 WeakPolarHBondContact O-CB 3.43Å; F293-F296 PolarHBondContact O-N 3.3Å; F293-D297 HydrophobicContact CD1-CB 4.45Å; F293-D297 HydrophobicContact CE1-CB 4Å; F293-D297 HydrophobicContact CZ-CB 4.37Å; F293-D297 PolarHBondContact O-N 3.45Å; F293-V304 HydrophobicContact CE1-CG2 3.79Å; F293-V304 HydrophobicContact CZ-CG2 4.32Å; F293-L366 HydrophobicContact CB-CD1 4.43Å; F293-L366 HydrophobicContact CD1-CD1 3.29Å; F293-L366 HydrophobicContact CD1-CG 4.26Å; F293-L366 HydrophobicContact CD2-CD1 4.19Å; F293-L366 HydrophobicContact CE1-CD1 3.43Å; F293-L366 VanDerWaalsContact CE1-CD1 3.43Å; F293-L366 HydrophobicContact CE2-CD1 4.29Å; F293-L366 HydrophobicContact CG-CD1 3.68Å; F293-L366 HydrophobicContact CZ-CD1 3.93Å; F293-V369 HydrophobicContact CD2-CB 3.85Å; F293-V369 HydrophobicContact CD2-CG1 3.51Å; F293-V369 HydrophobicContact CD2-CG2 4.26Å; F293-V369 HydrophobicContact CE2-CB 4.37Å; F293-V369 HydrophobicContact CE2-CG1 3.86Å; F293-V369 HydrophobicContact CE2-CG2 4.38Å; F293-M370 HydrophobicContact CB-CG 3.89Å
294	K	94.6	Very high	92.2	Very high	108 Å²	108	43.5 Å²	43.5	47%	0.47	22%	0.215	S	C	.	.	H	α-helix	trans	-58.9	-37.9	176.4	-71	174.8	-178.1	-179.8	0	112.6	V290 E291 A292 F296 D297 S298	V290-K294 WeakPolarHBondContact O-CG 3.04Å; V290-K294 PolarHBondContact O-N 3.32Å; E291-K294 PolarHBondContact O-N 2.79Å; A292-K294 VanDerWaalsContact C-N 3.32Å; A292-K294 PolarHBondContact O-N 3.02Å; K294-F296 VanDerWaalsContact C-N 3.32Å; K294-F296 PolarHBondContact O-N 2.84Å; K294-D297 PolarHBondContact O-N 3.11Å; K294-S298 WeakPolarHBondContact O-CB 3.19Å; K294-S298 PolarHBondContact O-N 3Å; K294-S298 PolarHBondContact O-OG 3.42Å
295	V	95.9	Very high	91	Very high	15 Å²	15	46.1 Å²	46.1	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-44.7	173.8	173.6	0	0	0	0	110.7	Q276 L279 L283 E291 A292 F293 L299	Q276-V295 HydrophobicContact CB-CG1 4.13Å; Q276-V295 WeakPolarHBondContact O-CG1 3.5Å; L279-V295 HydrophobicContact CD2-CG2 4.18Å; L279-V295 HydrophobicContact CG-CG2 4.31Å; L283-V295 HydrophobicContact CD1-CG2 3.88Å; E291-V295 PolarHBondContact O-N 2.8Å; A292-V295 WeakPolarHBondContact O-CB 3.37Å; A292-V295 PolarHBondContact O-N 3.42Å; F293-V295 VanDerWaalsContact C-N 3.26Å; F293-V295 PolarHBondContact O-N 2.98Å; V295-L299 WeakPolarHBondContact O-CB 3.46Å; V295-L299 PolarHBondContact O-N 2.82Å; V295-L299 VanDerWaalsContact O-N 3.12Å
296	F	94.5	Very high	89.8	Confident	13 Å²	13	45.6 Å²	45.6	6%	0.057	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-43.2	177.1	-177.2	-112	0	0	0	112.2	L252 Y255 A292 F293 K294 L299 L300 N301 M370 I396	L252-F296 HydrophobicContact CD2-CD2 3.86Å; Y255-F296 HydrophobicContact CE2-CD2 4.38Å; Y255-F296 AromaticContact CE2-CE2 3.94Å; Y255-F296 HydrophobicContact CE2-CE2 3.94Å; Y255-F296 AromaticContact CZ-CE2 3.76Å; Y255-F296 VanDerWaalsContact OH-CE2 3.3Å; Y255-F296 WeakPolarHBondContact OH-CE2 3.45Å; A292-F296 PolarHBondContact O-N 2.95Å; F293-F296 CarbonylContact O-C 3.39Å; F293-F296 WeakPolarHBondContact O-CA 3.48Å; F293-F296 WeakPolarHBondContact O-CB 3.43Å; F293-F296 PolarHBondContact O-N 3.3Å; K294-F296 VanDerWaalsContact C-N 3.32Å; K294-F296 PolarHBondContact O-N 2.84Å; F296-L299 PolarHBondContact O-N 2.83Å; F296-L300 HydrophobicContact CE2-CD2 4.17Å; F296-L300 HydrophobicContact CZ-CD2 4.48Å; F296-L300 PolarHBondContact O-N 2.65Å; F296-N301 VanDerWaalsContact CE1-OD1 3.28Å; F296-N301 WeakPolarHBondContact CE1-OD1 3.23Å; F296-M370 HydrophobicContact CB-CE 3.7Å; F296-M370 HydrophobicContact CB-SD 4.43Å; F296-M370 HydrophobicContact CG-CE 4.31Å; F296-I396 HydrophobicContact CE1-CD1 4.04Å; F296-I396 HydrophobicContact CE2-CD1 4.36Å; F296-I396 HydrophobicContact CZ-CD1 3.47Å; F296-I396 VanDerWaalsContact CZ-CD1 3.47Å; F296-I396 HydrophobicContact CZ-CG1 4.42Å
297	D	92.1	Very high	88.9	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.247	C	C	.	.	I	π-helix	trans	-61.8	-54.3	178.2	179.6	46.3	0	0	0	112.1	F293 K294 L299 L300 N301 G302 D303 V304 D305	F293-D297 HydrophobicContact CD1-CB 4.45Å; F293-D297 HydrophobicContact CE1-CB 4Å; F293-D297 HydrophobicContact CZ-CB 4.37Å; F293-D297 PolarHBondContact O-N 3.45Å; K294-D297 PolarHBondContact O-N 3.11Å; D297-L299 PolarHBondContact O-N 3.32Å; D297-L300 PolarHBondContact O-N 2.85Å; D297-N301 PolarHBondContact O-N 3.08Å; D297-N301 WeakPolarHBondContact OD1-CB 3.39Å; D297-G302 PolarHBondContact O-N 3.46Å; D297-G302 VanDerWaalsContact OD1-CA 3.29Å; D297-G302 WeakPolarHBondContact OD1-CA 3.31Å; D297-G302 PolarHBondContact OD1-N 3.48Å; D297-D303 PolarHBondContact OD1-N 2.72Å; D297-V304 PolarHBondContact OD1-N 3.28Å; D297-V304 WeakPolarHBondContact OD2-CB 3.2Å; D297-V304 PolarHBondContact OD2-N 2.77Å; D297-D305 PolarHBondContact OD2-N 2.62Å
298	S	93.6	Very high	88.4	Confident	48 Å²	48	45.4 Å²	45.4	34%	0.336	24%	0.235	S	C	.	.	I	π-helix	trans	-62.9	-27.3	179.2	-50.6	0	0	0	0	112.4	K294 D305 S309 F310	K294-S298 WeakPolarHBondContact O-CB 3.19Å; K294-S298 PolarHBondContact O-N 3Å; K294-S298 PolarHBondContact O-OG 3.42Å; S298-D305 PolarHBondContact OG-OD2 3.09Å; S298-S309 CarbonylContact O-C 3.49Å; S298-S309 WeakPolarHBondContact O-CA 3.39Å; S298-F310 PolarHBondContact O-N 2.56Å
299	L	93.7	Very high	88.1	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.026	22%	0.218	C	C	.	.	I	π-helix	trans	-78	-44.6	178.6	-175.1	69.2	0	0	0	112.1	V273 T277 V295 F296 D297 F310 F311	V273-L299 HydrophobicContact CB-CD1 4.43Å; V273-L299 HydrophobicContact CG1-CD1 4.16Å; V273-L299 HydrophobicContact CG1-CD2 4.2Å; V273-L299 HydrophobicContact CG2-CD1 4.03Å; T277-L299 HydrophobicContact CG2-CD2 3.76Å; V295-L299 WeakPolarHBondContact O-CB 3.46Å; V295-L299 PolarHBondContact O-N 2.82Å; V295-L299 VanDerWaalsContact O-N 3.12Å; F296-L299 PolarHBondContact O-N 2.83Å; D297-L299 PolarHBondContact O-N 3.32Å; L299-F310 HydrophobicContact CD1-CB 4.14Å; L299-F310 HydrophobicContact CD1-CD1 3.85Å; L299-F310 HydrophobicContact CD1-CG 4.18Å; L299-F311 PolarHBondContact O-N 3.29Å
300	L	90.6	Very high	88	Confident	3 Å²	3	41 Å²	41	2%	0.016	22%	0.217	C	C	.	.	I	π-helix	trans	-132.5	-65.5	-165.1	-164	52.7	0	0	0	113.9	Y255 F296 D297 S309 F311 V395 I396	Y255-L300 HydrophobicContact CD1-CD2 4.07Å; Y255-L300 HydrophobicContact CE1-CD2 3.35Å; F296-L300 HydrophobicContact CE2-CD2 4.17Å; F296-L300 HydrophobicContact CZ-CD2 4.48Å; F296-L300 PolarHBondContact O-N 2.65Å; D297-L300 PolarHBondContact O-N 2.85Å; L300-S309 WeakPolarHBondContact O-CB 3.22Å; L300-S309 PolarHBondContact O-OG 2.64Å; L300-F311 HydrophobicContact CD1-CB 3.63Å; L300-F311 HydrophobicContact CD1-CD1 4.33Å; L300-F311 HydrophobicContact CD1-CD2 3.82Å; L300-F311 HydrophobicContact CD1-CG 3.66Å; L300-V395 HydrophobicContact CD1-CG1 4.01Å; L300-I396 HydrophobicContact CD2-CD1 3.65Å; L300-I396 HydrophobicContact CG-CD1 3.82Å
301	N	82.1	Confident	87.9	Confident	13 Å²	13	40.1 Å²	40.1	7%	0.07	21%	0.211	C	C	.	.	I	π-helix	trans	-56.5	-57.8	-172.6	-82.4	25.6	0	0	0	113	F296 D297 D303 I396	F296-N301 VanDerWaalsContact CE1-OD1 3.28Å; F296-N301 WeakPolarHBondContact CE1-OD1 3.23Å; D297-N301 PolarHBondContact O-N 3.08Å; D297-N301 WeakPolarHBondContact OD1-CB 3.39Å; N301-D303 WeakPolarHBondContact CB-OD2 3.34Å; N301-D303 PolarHBondContact ND2-OD2 3.09Å; N301-I396 WeakPolarHBondContact OD1-CD1 3.05Å
302	G	80.1	Confident	87.8	Confident	13 Å²	13	38.1 Å²	38.1	13%	0.134	20%	0.202	C	C	.	.			trans	65.1	36	-175.6	0	0	0	0	0	114.1	D297	D297-G302 PolarHBondContact O-N 3.46Å; D297-G302 VanDerWaalsContact OD1-CA 3.29Å; D297-G302 WeakPolarHBondContact OD1-CA 3.31Å; D297-G302 PolarHBondContact OD1-N 3.48Å
303	D	71.9	Confident	87.7	Confident	9 Å²	9	43.5 Å²	43.5	5%	0.048	23%	0.231	C	C	.	.	S	Bend	trans	-106.3	-23.8	-175.6	55.8	21.5	0	0	0	114.3	F28 R30 D297 N301	F28-D303 HydrophobicContact CB-CB 3.77Å; F28-D303 WeakPolarHBondContact CD1-OD2 3.29Å; F28-D303 HydrophobicContact CG-CB 4.38Å; R30-D303 PolarHBondContact NH2-O 3.47Å; D297-D303 PolarHBondContact OD1-N 2.72Å; N301-D303 WeakPolarHBondContact CB-OD2 3.34Å; N301-D303 PolarHBondContact ND2-OD2 3.09Å
304	V	72.1	Confident	87.7	Confident	67 Å²	67	44.7 Å²	44.7	41%	0.406	24%	0.241	S	C	.	.	S	Bend	trans	-96.5	-48.5	177.2	177.6	0	0	0	0	111.5	F293 D297	F293-V304 HydrophobicContact CE1-CG2 3.79Å; F293-V304 HydrophobicContact CZ-CG2 4.32Å; D297-V304 PolarHBondContact OD1-N 3.28Å; D297-V304 WeakPolarHBondContact OD2-CB 3.2Å; D297-V304 PolarHBondContact OD2-N 2.77Å
305	D	73.1	Confident	87.7	Confident	61 Å²	61	41.3 Å²	41.3	33%	0.326	23%	0.23	S	C	.	.	S	Bend	trans	-72	145.6	-178	-79.1	-27.1	0	0	0	112.8	D297 S298 Y307	D297-D305 PolarHBondContact OD2-N 2.62Å; S298-D305 PolarHBondContact OG-OD2 3.09Å; D305-Y307 PolarHBondContact O-N 3.45Å; D305-Y307 VanDerWaalsContact O-N 3.09Å
306	P	73.6	Confident	87.5	Confident	109 Å²	109	43.5 Å²	43.5	71%	0.708	26%	0.255	S	S	*	.	S	Bend	trans	-76.3	5.7	-177.9	32.6	-36.1	0	0	0	113.8
307	Y	78.3	Confident	87.4	Confident	177 Å²	177	43.9 Å²	43.9	69%	0.694	26%	0.259	S	S	*	.	S	Bend	trans	-120.5	150.1	-174.7	-57	-68.5	0	0	0	110.8	D305	D305-Y307 PolarHBondContact O-N 3.45Å; D305-Y307 VanDerWaalsContact O-N 3.09Å
308	P	86.9	Confident	87.3	Confident	63 Å²	63	44.4 Å²	44.4	41%	0.409	26%	0.262	S	S	.	.			trans	-54.9	140.3	173.9	-26.7	36	0	0	0	112.2	Q312 N313	P308-Q312 HydrophobicContact CB-CB 4.27Å; P308-Q312 HydrophobicContact CB-CG 4.16Å; P308-N313 PolarHBondContact O-ND2 2.9Å
309	S	93.1	Very high	87.2	Confident	5 Å²	5	42.4 Å²	42.4	4%	0.035	25%	0.248	C	C	.	.			trans	-63.2	162.2	174.8	70	0	0	0	0	111.5	S298 L300 F311 Q312 N313	S298-S309 CarbonylContact O-C 3.49Å; S298-S309 WeakPolarHBondContact O-CA 3.39Å; L300-S309 WeakPolarHBondContact O-CB 3.22Å; L300-S309 PolarHBondContact O-OG 2.64Å; S309-F311 VanDerWaalsContact C-N 3.25Å; S309-F311 PolarHBondContact O-N 3.12Å; S309-Q312 PolarHBondContact O-N 2.74Å; S309-Q312 PolarHBondContact OG-N 3.45Å; S309-N313 PolarHBondContact O-N 2.79Å; S309-N313 PolarHBondContact O-ND2 3.16Å
310	F	95.4	Very high	87.2	Confident	33 Å²	33	42.3 Å²	42.3	15%	0.145	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-43.5	172.7	172	-93.4	0	0	0	111.3	I265 Q269 Y272 V273 S298 L299 Q312 N313 A314	I265-F310 HydrophobicContact CG2-CE1 4.11Å; I265-F310 HydrophobicContact CG2-CZ 4.47Å; Q269-F310 HydrophobicContact CB-CZ 3.87Å; Q269-F310 HydrophobicContact CG-CE2 4.49Å; Q269-F310 HydrophobicContact CG-CZ 4.06Å; Y272-F310 AromaticContact CD1-CD2 3.54Å; Y272-F310 HydrophobicContact CD1-CD2 3.54Å; Y272-F310 AromaticContact CD1-CE2 3.44Å; Y272-F310 HydrophobicContact CD1-CE2 3.44Å; Y272-F310 VanDerWaalsContact CD1-CE2 3.44Å; Y272-F310 HydrophobicContact CD1-CG 4.13Å; Y272-F310 AromaticContact CD1-CZ 3.97Å; Y272-F310 HydrophobicContact CD1-CZ 3.97Å; Y272-F310 HydrophobicContact CE1-CB 4.22Å; Y272-F310 AromaticContact CE1-CD2 3.37Å; Y272-F310 HydrophobicContact CE1-CD2 3.37Å; Y272-F310 AromaticContact CE1-CE2 3.82Å; Y272-F310 HydrophobicContact CE1-CE2 3.82Å; Y272-F310 AromaticContact CE1-CG 3.8Å; Y272-F310 HydrophobicContact CE1-CG 3.8Å; Y272-F310 HydrophobicContact CG-CE2 4.35Å; V273-F310 HydrophobicContact CG2-CD1 3.95Å; V273-F310 HydrophobicContact CG2-CE1 3.32Å; V273-F310 HydrophobicContact CG2-CZ 3.84Å; S298-F310 PolarHBondContact O-N 2.56Å; L299-F310 HydrophobicContact CD1-CB 4.14Å; L299-F310 HydrophobicContact CD1-CD1 3.85Å; L299-F310 HydrophobicContact CD1-CG 4.18Å; F310-Q312 VanDerWaalsContact C-N 3.35Å; F310-Q312 PolarHBondContact O-N 2.86Å; F310-N313 PolarHBondContact O-N 2.85Å; F310-A314 HydrophobicContact CD1-CB 4.5Å; F310-A314 HydrophobicContact CE1-CB 4.09Å; F310-A314 HydrophobicContact CE2-CB 4.5Å; F310-A314 HydrophobicContact CZ-CB 4.1Å; F310-A314 VanDerWaalsContact O-CB 3.25Å; F310-A314 WeakPolarHBondContact O-CB 3.32Å; F310-A314 PolarHBondContact O-N 2.84Å
311	F	95.1	Very high	87.5	Confident	6 Å²	6	42.6 Å²	42.6	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-54.1	-49.7	176.1	175.4	-96	0	0	0	112	L259 M264 L299 L300 S309 N313 A314 T315 C317 V395	L259-F311 HydrophobicContact CD2-CD2 4.43Å; M264-F311 HydrophobicContact SD-CE2 3.81Å; M264-F311 HydrophobicContact SD-CZ 4.49Å; L299-F311 PolarHBondContact O-N 3.29Å; L300-F311 HydrophobicContact CD1-CB 3.63Å; L300-F311 HydrophobicContact CD1-CD1 4.33Å; L300-F311 HydrophobicContact CD1-CD2 3.82Å; L300-F311 HydrophobicContact CD1-CG 3.66Å; S309-F311 VanDerWaalsContact C-N 3.25Å; S309-F311 PolarHBondContact O-N 3.12Å; F311-N313 PolarHBondContact O-N 3.45Å; F311-A314 PolarHBondContact O-N 3.3Å; F311-T315 HydrophobicContact CD2-CG2 4.01Å; F311-T315 HydrophobicContact CE2-CG2 3.85Å; F311-T315 HydrophobicContact CZ-CG2 4.28Å; F311-T315 WeakPolarHBondContact O-CB 3.38Å; F311-T315 WeakPolarHBondContact O-CG2 3.47Å; F311-T315 PolarHBondContact O-N 2.6Å; F311-T315 PolarHBondContact O-OG1 3.02Å; F311-C317 WeakPolarHBondContact CE1-O 3.35Å; F311-V395 HydrophobicContact CD2-CG1 4.24Å; F311-V395 HydrophobicContact CE2-CG1 3.86Å; F311-V395 HydrophobicContact CE2-CG2 4.4Å
312	Q	94.2	Very high	88.2	Confident	49 Å²	49	42.7 Å²	42.7	23%	0.229	25%	0.249	C	C	.	.	H	α-helix	trans	-63.4	-42.7	179	-178.8	175.7	10.6	0	0	112.1	S23 P308 S309 F310 G316 C317 T318	S23-Q312 PolarHBondContact O-NE2 2.88Å; P308-Q312 HydrophobicContact CB-CB 4.27Å; P308-Q312 HydrophobicContact CB-CG 4.16Å; S309-Q312 PolarHBondContact O-N 2.74Å; S309-Q312 PolarHBondContact OG-N 3.45Å; F310-Q312 VanDerWaalsContact C-N 3.35Å; F310-Q312 PolarHBondContact O-N 2.86Å; Q312-G316 WeakPolarHBondContact O-CA 3.2Å; Q312-G316 PolarHBondContact O-N 2.75Å; Q312-C317 WeakPolarHBondContact CA-O 3.32Å; Q312-T318 HydrophobicContact CG-CG2 3.9Å
313	N	94.4	Very high	88.8	Confident	113 Å²	113	45.6 Å²	45.6	60%	0.604	26%	0.256	S	S	*	.	H	α-helix	trans	-67.8	-36.1	178.9	-74.4	-39.8	0	0	0	112.8	P308 S309 F310 F311	P308-N313 PolarHBondContact O-ND2 2.9Å; S309-N313 PolarHBondContact O-N 2.79Å; S309-N313 PolarHBondContact O-ND2 3.16Å; F310-N313 PolarHBondContact O-N 2.85Å; F311-N313 PolarHBondContact O-N 3.45Å
314	A	95.6	Very high	89.9	Confident	28 Å²	28	51.6 Å²	51.6	23%	0.231	29%	0.285	C	S	.	.	H	α-helix	trans	-77.4	-40.4	-178	0	0	0	0	0	112.3	I265 F310 F311	I265-A314 HydrophobicContact CG2-CB 4.23Å; F310-A314 HydrophobicContact CD1-CB 4.5Å; F310-A314 HydrophobicContact CE1-CB 4.09Å; F310-A314 HydrophobicContact CE2-CB 4.5Å; F310-A314 HydrophobicContact CZ-CB 4.1Å; F310-A314 VanDerWaalsContact O-CB 3.25Å; F310-A314 WeakPolarHBondContact O-CB 3.32Å; F310-A314 PolarHBondContact O-N 2.84Å; F311-A314 PolarHBondContact O-N 3.3Å
315	T	94.5	Very high	90.9	Very high	38 Å²	38	51.4 Å²	51.4	23%	0.233	28%	0.284	C	S	.	.	H	α-helix	trans	-98.1	-23.5	-173.6	66.5	0	0	0	0	113.5	M264 F311 C317	M264-T315 HydrophobicContact CB-CG2 4.15Å; F311-T315 HydrophobicContact CD2-CG2 4.01Å; F311-T315 HydrophobicContact CE2-CG2 3.85Å; F311-T315 HydrophobicContact CZ-CG2 4.28Å; F311-T315 WeakPolarHBondContact O-CB 3.38Å; F311-T315 WeakPolarHBondContact O-CG2 3.47Å; F311-T315 PolarHBondContact O-N 2.6Å; F311-T315 PolarHBondContact O-OG1 3.02Å; T315-C317 PolarHBondContact O-N 3.16Å; T315-C317 PolarHBondContact OG1-N 3.07Å; T315-C317 PolarHBondContact OG1-O 3.09Å
316	G	93	Very high	91.8	Very high	60 Å²	60	51.4 Å²	51.4	62%	0.619	29%	0.289	S	S	*	.	S	Bend	trans	73.7	4.5	-168.1	0	0	0	0	0	114.1	Q312	Q312-G316 WeakPolarHBondContact O-CA 3.2Å; Q312-G316 PolarHBondContact O-N 2.75Å
317	C	91.8	Very high	92.7	Very high	21 Å²	21	51.3 Å²	51.3	14%	0.142	28%	0.279	C	S	.	.			trans	-112	147.7	-174.3	-56.8	0	0	0	0	110.3	F311 Q312 T315 C326	F311-C317 WeakPolarHBondContact CE1-O 3.35Å; Q312-C317 WeakPolarHBondContact CA-O 3.32Å; T315-C317 PolarHBondContact O-N 3.16Å; T315-C317 PolarHBondContact OG1-N 3.07Å; T315-C317 PolarHBondContact OG1-O 3.09Å; C317-C326 HydrophobicContact CB-CB 3.46Å; C317-C326 VanDerWaalsContact CB-CB 3.46Å; C317-C326 WeakPolarHBondContact CB-SG 3.2Å; C317-C326 WeakPolarHBondContact SG-CB 3.27Å; C317-C326 CovalentContact SG-SG 2.05Å; C317-C326 PolarHBondContact SG-SG 3.37Å
318	T	89.9	Confident	93.3	Very high	11 Å²	11	44.3 Å²	44.3	7%	0.067	25%	0.252	C	S	.	.			trans	-110.1	-17.6	-179.6	55	0	0	0	0	113.1	S23 Q312 Y320 C326 Q327	S23-T318 VanDerWaalsContact OG-CG2 3.29Å; S23-T318 WeakPolarHBondContact OG-CG2 3.23Å; S23-T318 PolarHBondContact OG-OG1 3.48Å; Q312-T318 HydrophobicContact CG-CG2 3.9Å; T318-Y320 PolarHBondContact O-N 3.35Å; T318-C326 PolarHBondContact N-O 2.97Å; T318-C326 PolarHBondContact OG1-O 3.3Å; T318-Q327 PolarHBondContact OG1-NE2 3.02Å; T318-Q327 PolarHBondContact OG1-OE1 3.07Å
319	N	92.4	Very high	93.6	Very high	6 Å²	6	43.1 Å²	43.1	3%	0.032	25%	0.245	C	C	.	.			trans	-84	102.3	174.7	-177.8	-2	0	0	0	110.5	F321 N322 T325 C326 Q327 E328	N319-F321 WeakPolarHBondContact OD1-CA 3.39Å; N319-F321 VanDerWaalsContact OD1-CB 3.32Å; N319-F321 WeakPolarHBondContact OD1-CB 3.37Å; N319-F321 PolarHBondContact OD1-N 3.27Å; N319-N322 PolarHBondContact OD1-N 3.02Å; N319-N322 VanDerWaalsContact OD1-N 3.09Å; N319-T325 WeakPolarHBondContact CB-O 3.28Å; N319-T325 PolarHBondContact ND2-OG1 3.32Å; N319-C326 PolarHBondContact N-O 3.17Å; N319-C326 VanDerWaalsContact N-O 3.11Å; N319-Q327 PolarHBondContact ND2-O 2.9Å; N319-Q327 VanDerWaalsContact ND2-O 3.09Å; N319-E328 HydrophobicContact CB-CG 4.23Å
320	Y	93.6	Very high	93.6	Very high	4 Å²	4	48.5 Å²	48.5	2%	0.016	27%	0.269	C	S	.	.			trans	-92.6	-0.8	169.4	48.5	-113.4	0	0	0	112.9	S25 F28 T318 V395 I396	S25-Y320 WeakPolarHBondContact CB-OH 3.49Å; F28-Y320 WeakPolarHBondContact CD2-OH 3.03Å; F28-Y320 VanDerWaalsContact CE2-OH 3.31Å; F28-Y320 WeakPolarHBondContact CE2-OH 3.46Å; T318-Y320 PolarHBondContact O-N 3.35Å; Y320-V395 WeakPolarHBondContact O-CA 3.08Å; Y320-V395 WeakPolarHBondContact O-CB 2.99Å; Y320-V395 PolarHBondContact O-N 2.66Å; Y320-I396 HydrophobicContact CD2-CB 3.66Å; Y320-I396 HydrophobicContact CD2-CD1 4.35Å; Y320-I396 HydrophobicContact CD2-CG1 4.2Å; Y320-I396 HydrophobicContact CD2-CG2 4.06Å; Y320-I396 HydrophobicContact CE2-CB 4.13Å; Y320-I396 HydrophobicContact CE2-CD1 4.34Å; Y320-I396 HydrophobicContact CE2-CG1 4.21Å; Y320-I396 HydrophobicContact CE2-CG2 4.45Å; Y320-I396 HydrophobicContact CG-CB 4.45Å; Y320-I396 PolarHBondContact O-N 3.27Å
321	F	95.8	Very high	93.5	Very high	9 Å²	9	49.9 Å²	49.9	4%	0.039	28%	0.278	C	S	.	.	S	Bend	trans	-79.3	-26.5	175.3	-62	-52.7	0	0	0	112.2	S25 F27 F28 N319 E328 I396 G453 H454	S25-F321 VanDerWaalsContact OG-CE2 3.27Å; S25-F321 WeakPolarHBondContact OG-CE2 3.48Å; F27-F321 HydrophobicContact CB-CE2 4.05Å; F27-F321 HydrophobicContact CB-CZ 3.98Å; F27-F321 HydrophobicContact CG-CZ 4.29Å; F28-F321 HydrophobicContact CE2-CZ 4.03Å; N319-F321 WeakPolarHBondContact OD1-CA 3.39Å; N319-F321 VanDerWaalsContact OD1-CB 3.32Å; N319-F321 WeakPolarHBondContact OD1-CB 3.37Å; N319-F321 PolarHBondContact OD1-N 3.27Å; F321-E328 HydrophobicContact CD2-CG 4.09Å; F321-I396 HydrophobicContact CD1-CG2 3.74Å; F321-I396 HydrophobicContact CE1-CG2 3.94Å; F321-G453 CarbonylContact O-C 3.54Å; F321-G453 VanDerWaalsContact O-CA 3.23Å; F321-G453 WeakPolarHBondContact O-CA 3.47Å; F321-H454 HydrophobicContact CB-CB 3.72Å; F321-H454 HydrophobicContact CD1-CB 3.5Å; F321-H454 VanDerWaalsContact CD1-CB 3.5Å; F321-H454 AromaticContact CD1-CD2 3.35Å; F321-H454 WeakPolarHBondContact CD1-CD2 3.09Å; F321-H454 AromaticContact CD1-CG 3.53Å; F321-H454 HydrophobicContact CE1-CB 4.48Å; F321-H454 AromaticContact CE1-CD2 3.47Å; F321-H454 VanDerWaalsContact CE1-CD2 3.47Å; F321-H454 WeakPolarHBondContact CE1-CD2 3.32Å; F321-H454 HydrophobicContact CG-CB 4.02Å; F321-H454 PolarHBondContact O-N 3.33Å
322	N	96.4	Very high	93.4	Very high	15 Å²	15	49.9 Å²	49.9	8%	0.08	28%	0.278	C	S	.	.			trans	-151	105.7	175	-170	-36.2	0	0	0	110.5	N319 M324 T325 L393 D459	N319-N322 PolarHBondContact OD1-N 3.02Å; N319-N322 VanDerWaalsContact OD1-N 3.09Å; N322-M324 PolarHBondContact O-N 2.86Å; N322-M324 VanDerWaalsContact OD1-CB 3.31Å; N322-M324 WeakPolarHBondContact OD1-CB 3.28Å; N322-M324 PolarHBondContact OD1-N 3.12Å; N322-M324 VanDerWaalsContact OD1-N 3.09Å; N322-T325 PolarHBondContact O-N 3.13Å; N322-T325 PolarHBondContact O-OG1 3.49Å; N322-L393 WeakPolarHBondContact CA-O 3.27Å; N322-D459 PolarHBondContact ND2-OD2 2.88Å
323	Y	94.5	Very high	93.2	Very high	73 Å²	73	50.3 Å²	50.3	29%	0.286	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-4.5	-174.7	61.9	-114.6	0	0	0	114.7	F258 T262 M264 T325 L393 V395	F258-Y323 HydrophobicContact CZ-CD1 4.26Å; F258-Y323 HydrophobicContact CZ-CE1 4.11Å; T262-Y323 HydrophobicContact CG2-CE1 4.45Å; M264-Y323 HydrophobicContact CE-CD1 4.22Å; M264-Y323 HydrophobicContact CE-CG 4.42Å; Y323-T325 VanDerWaalsContact C-N 3.29Å; Y323-L393 HydrophobicContact CD1-CB 4.43Å; Y323-L393 WeakPolarHBondContact CD1-O 3.38Å; Y323-L393 VanDerWaalsContact CE1-CA 3.4Å; Y323-L393 HydrophobicContact CE1-CB 4.17Å; Y323-L393 HydrophobicContact CE1-CD2 4.21Å; Y323-L393 HydrophobicContact CE2-CD2 3.68Å; Y323-L393 VanDerWaalsContact CZ-CD2 3.45Å; Y323-L393 PolarHBondContact N-O 2.93Å; Y323-L393 VanDerWaalsContact N-O 3.16Å; Y323-L393 VanDerWaalsContact OH-CD2 3.23Å; Y323-L393 WeakPolarHBondContact OH-CD2 3.33Å; Y323-V395 HydrophobicContact CD1-CG2 3.88Å; Y323-V395 HydrophobicContact CG-CG2 4.31Å
324	M	94.7	Very high	93.2	Very high	135 Å²	135	46.4 Å²	46.4	67%	0.665	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-15.2	172	-64.1	-63.5	-61.9	0	0	112.9	N322 L393	N322-M324 PolarHBondContact O-N 2.86Å; N322-M324 VanDerWaalsContact OD1-CB 3.31Å; N322-M324 WeakPolarHBondContact OD1-CB 3.28Å; N322-M324 PolarHBondContact OD1-N 3.12Å; N322-M324 VanDerWaalsContact OD1-N 3.09Å; M324-L393 HydrophobicContact CG-CD1 3.61Å; M324-L393 HydrophobicContact CG-CD2 4.19Å; M324-L393 HydrophobicContact CG-CG 4.4Å
325	T	93.1	Very high	93.2	Very high	63 Å²	63	45.6 Å²	45.6	39%	0.387	25%	0.249	S	C	.	.			trans	-130.8	135.1	-178.4	51.6	0	0	0	0	110.1	N319 N322 Y323	N319-T325 WeakPolarHBondContact CB-O 3.28Å; N319-T325 PolarHBondContact ND2-OG1 3.32Å; N322-T325 PolarHBondContact O-N 3.13Å; N322-T325 PolarHBondContact O-OG1 3.49Å; Y323-T325 VanDerWaalsContact C-N 3.29Å
326	C	91.8	Very high	93	Very high	61 Å²	61	44.4 Å²	44.4	41%	0.412	24%	0.242	S	C	.	.	S	Bend	trans	-86.1	-12.7	-176.8	-71.5	0	0	0	0	115.2	C317 T318 N319	C317-C326 HydrophobicContact CB-CB 3.46Å; C317-C326 VanDerWaalsContact CB-CB 3.46Å; C317-C326 WeakPolarHBondContact CB-SG 3.2Å; C317-C326 WeakPolarHBondContact SG-CB 3.27Å; C317-C326 CovalentContact SG-SG 2.05Å; C317-C326 PolarHBondContact SG-SG 3.37Å; T318-C326 PolarHBondContact N-O 2.97Å; T318-C326 PolarHBondContact OG1-O 3.3Å; N319-C326 PolarHBondContact N-O 3.17Å; N319-C326 VanDerWaalsContact N-O 3.11Å
327	Q	92	Very high	92.9	Very high	107 Å²	107	46.8 Å²	46.8	50%	0.5	24%	0.237	S	C	.	.	S	Bend	trans	-130.7	150.6	178.4	-62.7	-63.3	-54.6	0	0	108.9	T318 N319	T318-Q327 PolarHBondContact OG1-NE2 3.02Å; T318-Q327 PolarHBondContact OG1-OE1 3.07Å; N319-Q327 PolarHBondContact ND2-O 2.9Å; N319-Q327 VanDerWaalsContact ND2-O 3.09Å
328	E	91.3	Very high	93	Very high	30 Å²	30	45.8 Å²	45.8	14%	0.14	23%	0.23	C	C	.	.			trans	-69.6	143.3	173.2	-70.9	169.7	-109.3	0	0	110.3	S25 S26 N319 F321 E330	S25-E328 WeakPolarHBondContact CA-OE1 3.31Å; S25-E328 WeakPolarHBondContact CB-OE1 3.3Å; S25-E328 PolarHBondContact OG-OE1 3.07Å; S25-E328 PolarHBondContact OG-OE2 2.84Å; S26-E328 PolarHBondContact N-OE1 2.74Å; S26-E328 PolarHBondContact OG-OE2 3.32Å; N319-E328 HydrophobicContact CB-CG 4.23Å; F321-E328 HydrophobicContact CD2-CG 4.09Å; E328-E330 PolarHBondContact O-N 3.46Å
329	P	93.4	Very high	93.2	Very high	39 Å²	39	45.2 Å²	45.2	25%	0.253	23%	0.227	S	C	.	.			trans	-61	133.4	176.1	-21.9	32.8	0	0	0	112.5	D331 Q332 Y458	P329-D331 WeakPolarHBondContact CB-OD1 3.31Å; P329-D331 PolarHBondContact O-N 3.36Å; P329-Q332 HydrophobicContact CB-CG 4.17Å; P329-Q332 HydrophobicContact CG-CG 4.44Å; P329-Q332 WeakPolarHBondContact O-CB 3.21Å; P329-Q332 PolarHBondContact O-N 3.09Å; P329-Y458 HydrophobicContact CB-CE1 4.42Å; P329-Y458 VanDerWaalsContact CB-OH 3.26Å; P329-Y458 WeakPolarHBondContact CB-OH 3.32Å; P329-Y458 HydrophobicContact CG-CE1 3.89Å
330	E	92.5	Very high	93.1	Very high	118 Å²	118	45.4 Å²	45.4	55%	0.551	23%	0.228	S	C	*	.	G	3₁₀ helix	trans	-59.2	-31.9	-176	-165.4	-160.4	-168.3	0	0	112.6	K136 E328 Q332 E333 Y334	K136-E330 IonicContact NZ-OE1 3.27Å; K136-E330 PolarHBondContact NZ-OE1 3.48Å; K136-E330 IonicContact NZ-OE2 2.94Å; K136-E330 PolarHBondContact NZ-OE2 2.94Å; E328-E330 PolarHBondContact O-N 3.46Å; E330-Q332 VanDerWaalsContact C-N 3.26Å; E330-Q332 PolarHBondContact O-N 3.17Å; E330-E333 PolarHBondContact O-N 3.26Å; E330-Y334 HydrophobicContact CB-CE1 4.41Å; E330-Y334 HydrophobicContact CG-CE1 3.81Å; E330-Y334 WeakPolarHBondContact O-CD1 3.45Å; E330-Y334 WeakPolarHBondContact O-CE1 3.4Å; E330-Y334 PolarHBondContact OE2-OH 2.78Å
331	D	93.3	Very high	93.1	Very high	61 Å²	61	47.7 Å²	47.7	33%	0.326	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-69.3	-21.5	-177.3	62	-42.6	0	0	0	113.6	P329 E333 Y334 Y458	P329-D331 WeakPolarHBondContact CB-OD1 3.31Å; P329-D331 PolarHBondContact O-N 3.36Å; D331-E333 PolarHBondContact O-N 2.85Å; D331-Y334 HydrophobicContact CB-CD2 3.85Å; D331-Y334 HydrophobicContact CB-CE2 3.65Å; D331-Y334 PolarHBondContact O-N 3.31Å; D331-Y458 VanDerWaalsContact CG-OH 3.32Å; D331-Y458 PolarHBondContact OD1-OH 2.63Å; D331-Y458 WeakPolarHBondContact OD2-CE2 3.42Å; D331-Y458 PolarHBondContact OD2-OH 3.12Å
332	Q	93.5	Very high	93	Very high	7 Å²	7	48 Å²	48	3%	0.033	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-63.1	-19.1	172.4	-60.2	-169.7	-0.4	0	0	112.3	F123 V127 P329 E330 F335 Y458	F123-Q332 HydrophobicContact CE2-CB 4.16Å; F123-Q332 HydrophobicContact CZ-CB 4.43Å; V127-Q332 HydrophobicContact CG1-CB 4.08Å; V127-Q332 HydrophobicContact CG1-CG 3.72Å; V127-Q332 HydrophobicContact CG2-CB 4.5Å; V127-Q332 WeakPolarHBondContact CG2-O 3.46Å; P329-Q332 HydrophobicContact CB-CG 4.17Å; P329-Q332 HydrophobicContact CG-CG 4.44Å; P329-Q332 WeakPolarHBondContact O-CB 3.21Å; P329-Q332 PolarHBondContact O-N 3.09Å; E330-Q332 VanDerWaalsContact C-N 3.26Å; E330-Q332 PolarHBondContact O-N 3.17Å; Q332-F335 WeakPolarHBondContact O-CD1 3.45Å; Q332-F335 WeakPolarHBondContact O-CE1 3.4Å; Q332-Y458 HydrophobicContact CG-CD2 4.48Å; Q332-Y458 HydrophobicContact CG-CE2 4.1Å
333	E	90.4	Very high	92.8	Very high	58 Å²	58	51.9 Å²	51.9	27%	0.271	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-98.5	-6.1	178.8	-77.7	-58.5	144.1	0	0	114.4	S26 E330 D331 F335 S336	S26-E333 WeakPolarHBondContact CB-OE1 3.34Å; S26-E333 PolarHBondContact OG-OE1 3.16Å; E330-E333 PolarHBondContact O-N 3.26Å; D331-E333 PolarHBondContact O-N 2.85Å; E333-F335 PolarHBondContact O-N 3.17Å; E333-S336 PolarHBondContact O-N 3.01Å; E333-S336 PolarHBondContact O-OG 3.49Å; E333-S336 PolarHBondContact OE2-OG 2.94Å; E333-S336 VanDerWaalsContact OE2-OG 3.07Å
334	Y	94.4	Very high	92.9	Very high	31 Å²	31	48.4 Å²	48.4	12%	0.122	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-30.4	-176.3	-65.3	-12.4	0	0	0	112.5	K136 M138 E330 D331 S336 Q337 F338	K136-Y334 HydrophobicContact CB-CD2 4.38Å; K136-Y334 HydrophobicContact CB-CE2 3.75Å; K136-Y334 HydrophobicContact CG-CE1 4.46Å; K136-Y334 HydrophobicContact CG-CE2 4.36Å; M138-Y334 HydrophobicContact CE-CG 4.39Å; E330-Y334 HydrophobicContact CB-CE1 4.41Å; E330-Y334 HydrophobicContact CG-CE1 3.81Å; E330-Y334 WeakPolarHBondContact O-CD1 3.45Å; E330-Y334 WeakPolarHBondContact O-CE1 3.4Å; E330-Y334 PolarHBondContact OE2-OH 2.78Å; D331-Y334 HydrophobicContact CB-CD2 3.85Å; D331-Y334 HydrophobicContact CB-CE2 3.65Å; D331-Y334 PolarHBondContact O-N 3.31Å; Y334-S336 VanDerWaalsContact C-N 3.32Å; Y334-S336 PolarHBondContact O-N 3.27Å; Y334-Q337 PolarHBondContact O-N 3.43Å; Y334-F338 WeakPolarHBondContact O-CB 3.1Å; Y334-F338 PolarHBondContact O-N 2.87Å; Y334-F338 VanDerWaalsContact O-N 3.08Å
335	F	94.7	Very high	93	Very high	10 Å²	10	42 Å²	42	4%	0.044	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-35.7	179.9	84.4	-79.5	0	0	0	112.6	T120 M122 F123 F126 V127 V134 Q332 E333 Q337 F338 V339 F355	T120-F335 HydrophobicContact CG2-CE2 3.79Å; T120-F335 HydrophobicContact CG2-CZ 4.04Å; M122-F335 HydrophobicContact CB-CD2 4.25Å; M122-F335 HydrophobicContact CB-CE2 4.23Å; F123-F335 HydrophobicContact CB-CZ 4.11Å; F123-F335 HydrophobicContact CD2-CD1 4.45Å; F123-F335 AromaticContact CD2-CE1 3.58Å; F123-F335 HydrophobicContact CD2-CE1 3.58Å; F123-F335 AromaticContact CD2-CZ 3.89Å; F123-F335 HydrophobicContact CD2-CZ 3.89Å; F123-F335 HydrophobicContact CE2-CE1 4.33Å; F123-F335 HydrophobicContact CG-CE1 4.47Å; F123-F335 HydrophobicContact CG-CZ 4.5Å; F126-F335 HydrophobicContact CB-CB 3.5Å; F126-F335 HydrophobicContact CB-CG 4.14Å; F126-F335 HydrophobicContact CD2-CB 3.84Å; F126-F335 HydrophobicContact CD2-CD2 4.14Å; F126-F335 HydrophobicContact CD2-CG 4.33Å; F126-F335 HydrophobicContact CG-CB 3.8Å; V127-F335 HydrophobicContact CG2-CD1 3.87Å; V127-F335 HydrophobicContact CG2-CE1 4.3Å; V134-F335 HydrophobicContact CG2-CB 3.93Å; Q332-F335 WeakPolarHBondContact O-CD1 3.45Å; Q332-F335 WeakPolarHBondContact O-CE1 3.4Å; E333-F335 PolarHBondContact O-N 3.17Å; F335-Q337 VanDerWaalsContact C-N 3.26Å; F335-Q337 PolarHBondContact O-N 2.71Å; F335-F338 PolarHBondContact O-N 3.06Å; F335-F338 VanDerWaalsContact O-N 3.11Å; F335-V339 WeakPolarHBondContact O-CG1 3.22Å; F335-V339 WeakPolarHBondContact O-CG2 3.31Å; F335-V339 PolarHBondContact O-N 3.46Å; F335-F355 HydrophobicContact CE2-CZ 4.3Å
336	S	90.3	Very high	93.1	Very high	13 Å²	13	44.1 Å²	44.1	9%	0.091	22%	0.223	C	C	.	.	H	α-helix	trans	-63.8	-35.4	-176.3	70.3	0	0	0	0	110.9	L33 E333 Y334 V339 T340	L33-S336 WeakPolarHBondContact CD1-O 3.4Å; E333-S336 PolarHBondContact O-N 3.01Å; E333-S336 PolarHBondContact O-OG 3.49Å; E333-S336 PolarHBondContact OE2-OG 2.94Å; E333-S336 VanDerWaalsContact OE2-OG 3.07Å; Y334-S336 VanDerWaalsContact C-N 3.32Å; Y334-S336 PolarHBondContact O-N 3.27Å; S336-V339 WeakPolarHBondContact O-CG2 3.29Å; S336-T340 VanDerWaalsContact O-CG2 3.25Å; S336-T340 WeakPolarHBondContact O-CG2 3.42Å
337	Q	91	Very high	93.4	Very high	110 Å²	110	41.5 Å²	41.5	51%	0.514	21%	0.206	S	C	.	.	H	α-helix	trans	-74.8	-44.2	170.7	-64	-177.7	12	0	0	112.2	M138 Y334 F335 V339 T340	M138-Q337 HydrophobicContact CE-CB 4.34Å; M138-Q337 HydrophobicContact SD-CB 3.7Å; Y334-Q337 PolarHBondContact O-N 3.43Å; F335-Q337 VanDerWaalsContact C-N 3.26Å; F335-Q337 PolarHBondContact O-N 2.71Å; Q337-V339 VanDerWaalsContact C-N 3.34Å; Q337-V339 PolarHBondContact O-N 2.9Å; Q337-T340 WeakPolarHBondContact O-CB 3.37Å; Q337-T340 PolarHBondContact O-N 3Å; Q337-T340 PolarHBondContact O-OG1 3.18Å
338	F	94.5	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-44.1	-178.9	174.7	-102.9	0	0	0	112.9	L70 P71 F126 V134 M138 V140 Y334 F335 T340 L341 V344	L70-F338 HydrophobicContact CB-CZ 4.46Å; L70-F338 HydrophobicContact CD2-CZ 4.38Å; P71-F338 HydrophobicContact CB-CE2 4.47Å; P71-F338 HydrophobicContact CG-CE2 4.14Å; F126-F338 HydrophobicContact CE1-CD1 4.16Å; F126-F338 AromaticContact CE1-CE1 3.89Å; F126-F338 HydrophobicContact CE1-CE1 3.89Å; F126-F338 HydrophobicContact CZ-CD1 4.14Å; F126-F338 AromaticContact CZ-CE1 3.94Å; F126-F338 HydrophobicContact CZ-CE1 3.94Å; V134-F338 HydrophobicContact CG1-CB 3.76Å; V134-F338 HydrophobicContact CG1-CD2 4.39Å; V134-F338 HydrophobicContact CG1-CG 4.08Å; V134-F338 HydrophobicContact CG2-CD1 4.36Å; V134-F338 HydrophobicContact CG2-CG 4.47Å; M138-F338 WeakPolarHBondContact O-CD2 3.41Å; M138-F338 HydrophobicContact SD-CB 4.18Å; V140-F338 HydrophobicContact CG1-CD1 4.34Å; V140-F338 HydrophobicContact CG1-CE1 3.72Å; V140-F338 HydrophobicContact CG1-CE2 3.92Å; V140-F338 HydrophobicContact CG1-CZ 3.48Å; V140-F338 VanDerWaalsContact CG1-CZ 3.48Å; V140-F338 HydrophobicContact CG2-CZ 4.34Å; Y334-F338 WeakPolarHBondContact O-CB 3.1Å; Y334-F338 PolarHBondContact O-N 2.87Å; Y334-F338 VanDerWaalsContact O-N 3.08Å; F335-F338 PolarHBondContact O-N 3.06Å; F335-F338 VanDerWaalsContact O-N 3.11Å; F338-T340 PolarHBondContact O-N 3.11Å; F338-T340 VanDerWaalsContact O-N 3.15Å; F338-L341 HydrophobicContact CD2-CD1 4.03Å; F338-L341 HydrophobicContact CE2-CD1 4.48Å; F338-L341 WeakPolarHBondContact O-CB 3.39Å; F338-L341 VanDerWaalsContact O-CG 3.3Å; F338-L341 WeakPolarHBondContact O-CG 3.21Å; F338-L341 PolarHBondContact O-N 2.85Å; F338-V344 HydrophobicContact CD1-CG1 4.2Å; F338-V344 HydrophobicContact CD1-CG2 4.42Å; F338-V344 HydrophobicContact CD2-CG2 4.09Å; F338-V344 HydrophobicContact CE1-CG1 3.81Å; F338-V344 HydrophobicContact CE1-CG2 3.95Å; F338-V344 HydrophobicContact CE2-CG2 3.6Å; F338-V344 HydrophobicContact CG-CG2 4.48Å; F338-V344 HydrophobicContact CZ-CG1 4.2Å; F338-V344 HydrophobicContact CZ-CG2 3.51Å
339	V	94.3	Very high	94	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9	179.8	-59.1	0	0	0	0	113.6	F126 F164 F335 S336 Q337 R345 F355	F126-V339 HydrophobicContact CD2-CG1 4.45Å; F126-V339 HydrophobicContact CE2-CG1 3.79Å; F126-V339 HydrophobicContact CZ-CG1 4.4Å; F164-V339 HydrophobicContact CE2-CB 4.17Å; F164-V339 HydrophobicContact CE2-CG2 4.49Å; F164-V339 HydrophobicContact CZ-CB 3.95Å; F164-V339 HydrophobicContact CZ-CG2 4.17Å; F335-V339 WeakPolarHBondContact O-CG1 3.22Å; F335-V339 WeakPolarHBondContact O-CG2 3.31Å; F335-V339 PolarHBondContact O-N 3.46Å; S336-V339 WeakPolarHBondContact O-CG2 3.29Å; Q337-V339 VanDerWaalsContact C-N 3.34Å; Q337-V339 PolarHBondContact O-N 2.9Å; V339-R345 WeakPolarHBondContact O-CG 3.33Å; V339-F355 HydrophobicContact CG2-CD1 4Å; V339-F355 HydrophobicContact CG2-CD2 4.33Å; V339-F355 HydrophobicContact CG2-CE1 3.78Å; V339-F355 HydrophobicContact CG2-CE2 4.14Å; V339-F355 HydrophobicContact CG2-CG 4.26Å; V339-F355 HydrophobicContact CG2-CZ 3.83Å
340	T	90.3	Very high	94.2	Very high	10 Å²	10	34.9 Å²	34.9	6%	0.061	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-13	175	71.3	0	0	0	0	113.3	L33 S336 Q337 F338 R345	L33-T340 HydrophobicContact CB-CG2 3.83Å; L33-T340 HydrophobicContact CD1-CG2 4.38Å; S336-T340 VanDerWaalsContact O-CG2 3.25Å; S336-T340 WeakPolarHBondContact O-CG2 3.42Å; Q337-T340 WeakPolarHBondContact O-CB 3.37Å; Q337-T340 PolarHBondContact O-N 3Å; Q337-T340 PolarHBondContact O-OG1 3.18Å; F338-T340 PolarHBondContact O-N 3.11Å; F338-T340 VanDerWaalsContact O-N 3.15Å; T340-R345 WeakPolarHBondContact O-CD 3.35Å
341	L	93.1	Very high	94.3	Very high	51 Å²	51	29.3 Å²	29.3	27%	0.267	15%	0.145	S	C	.	.	S	Bend	trans	-65.9	134.3	-178.5	-60.3	177.3	0	0	0	111.3	M138 F338 D343 V344 R345	M138-L341 HydrophobicContact CB-CD1 4.03Å; F338-L341 HydrophobicContact CD2-CD1 4.03Å; F338-L341 HydrophobicContact CE2-CD1 4.48Å; F338-L341 WeakPolarHBondContact O-CB 3.39Å; F338-L341 VanDerWaalsContact O-CG 3.3Å; F338-L341 WeakPolarHBondContact O-CG 3.21Å; F338-L341 PolarHBondContact O-N 2.85Å; L341-D343 VanDerWaalsContact C-N 3.33Å; L341-D343 PolarHBondContact O-N 2.84Å; L341-V344 HydrophobicContact CB-CB 4.13Å; L341-V344 HydrophobicContact CB-CG2 3.9Å; L341-V344 HydrophobicContact CD1-CG2 4.05Å; L341-V344 PolarHBondContact O-N 2.98Å; L341-V344 VanDerWaalsContact O-N 3.09Å; L341-R345 VanDerWaalsContact O-CG 3.32Å; L341-R345 WeakPolarHBondContact O-CG 3.37Å; L341-R345 PolarHBondContact O-N 3.32Å
342	P	93	Very high	94.2	Very high	17 Å²	17	31.6 Å²	31.6	11%	0.11	16%	0.158	C	C	.	.	H	α-helix	trans	-55.3	-42.9	-177.9	-28.3	34.9	0	0	0	114.4	V41 V344 R345 K346	V41-P342 HydrophobicContact CB-CB 3.86Å; V41-P342 HydrophobicContact CB-CG 4.41Å; V41-P342 HydrophobicContact CG1-CB 4.01Å; V41-P342 WeakPolarHBondContact O-CB 3.42Å; P342-V344 PolarHBondContact O-N 3.15Å; P342-R345 PolarHBondContact O-N 3.27Å; P342-K346 WeakPolarHBondContact O-CB 3.41Å; P342-K346 PolarHBondContact O-N 3.15Å
343	D	93.6	Very high	94.2	Very high	96 Å²	96	33.2 Å²	33.2	51%	0.513	17%	0.166	S	C	.	.	H	α-helix	trans	-65.1	-38.8	178.9	-72.8	-29.7	0	0	0	112.2	V41 L341 A347	V41-D343 WeakPolarHBondContact CG1-OD1 3.41Å; L341-D343 VanDerWaalsContact C-N 3.33Å; L341-D343 PolarHBondContact O-N 2.84Å; D343-A347 VanDerWaalsContact O-CB 3.31Å; D343-A347 WeakPolarHBondContact O-CB 3.5Å; D343-A347 PolarHBondContact O-N 2.81Å
344	V	96.1	Very high	94.2	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-65.3	-49.4	175.6	175.2	0	0	0	0	109.6	L70 P71 F338 L341 P342 K346 A347 I348	L70-V344 HydrophobicContact CD2-CB 4.46Å; L70-V344 HydrophobicContact CD2-CG1 4.04Å; L70-V344 HydrophobicContact CD2-CG2 4.36Å; P71-V344 HydrophobicContact CG-CG2 4.09Å; F338-V344 HydrophobicContact CD1-CG1 4.2Å; F338-V344 HydrophobicContact CD1-CG2 4.42Å; F338-V344 HydrophobicContact CD2-CG2 4.09Å; F338-V344 HydrophobicContact CE1-CG1 3.81Å; F338-V344 HydrophobicContact CE1-CG2 3.95Å; F338-V344 HydrophobicContact CE2-CG2 3.6Å; F338-V344 HydrophobicContact CG-CG2 4.48Å; F338-V344 HydrophobicContact CZ-CG1 4.2Å; F338-V344 HydrophobicContact CZ-CG2 3.51Å; L341-V344 HydrophobicContact CB-CB 4.13Å; L341-V344 HydrophobicContact CB-CG2 3.9Å; L341-V344 HydrophobicContact CD1-CG2 4.05Å; L341-V344 PolarHBondContact O-N 2.98Å; L341-V344 VanDerWaalsContact O-N 3.09Å; P342-V344 PolarHBondContact O-N 3.15Å; V344-K346 VanDerWaalsContact C-N 3.28Å; V344-K346 PolarHBondContact O-N 2.97Å; V344-A347 WeakPolarHBondContact O-CB 3.37Å; V344-A347 PolarHBondContact O-N 2.68Å; V344-I348 HydrophobicContact CG1-CD1 4.41Å; V344-I348 WeakPolarHBondContact O-CG1 3.45Å; V344-I348 PolarHBondContact O-N 3.17Å
345	R	96.6	Very high	94.1	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-59	-39.7	179.9	-68.6	-178.2	66	91.4	22	112.9	V35 P43 V339 T340 L341 P342 H349 V350 G351 L353	V35-R345 VanDerWaalsContact CG2-NE 3.31Å; P43-R345 HydrophobicContact CB-CB 4.06Å; V339-R345 WeakPolarHBondContact O-CG 3.33Å; T340-R345 WeakPolarHBondContact O-CD 3.35Å; L341-R345 VanDerWaalsContact O-CG 3.32Å; L341-R345 WeakPolarHBondContact O-CG 3.37Å; L341-R345 PolarHBondContact O-N 3.32Å; P342-R345 PolarHBondContact O-N 3.27Å; R345-H349 PolarHBondContact O-N 3.02Å; R345-H349 VanDerWaalsContact O-N 3.15Å; R345-V350 HydrophobicContact CB-CG2 3.67Å; R345-V350 HydrophobicContact CG-CG2 3.86Å; R345-V350 PolarHBondContact NH2-O 3.24Å; R345-V350 WeakPolarHBondContact O-CG2 3.42Å; R345-V350 PolarHBondContact O-N 3.31Å; R345-V350 VanDerWaalsContact O-N 3.1Å; R345-G351 PolarHBondContact NE-O 3.29Å; R345-G351 PolarHBondContact NH2-O 3.35Å; R345-L353 PolarHBondContact NH1-O 2.92Å; R345-L353 VanDerWaalsContact NH1-O 3.12Å; R345-L353 PolarHBondContact NH2-O 2.96Å
346	K	96.3	Very high	93.9	Very high	107 Å²	107	34.5 Å²	34.5	47%	0.465	18%	0.177	S	C	.	.	H	α-helix	trans	-66.1	-44	173.3	-173.7	177.2	-174.3	166.2	0	111.9	P43 P342 V344 I348 H349	P43-K346 WeakPolarHBondContact O-CA 3.31Å; P43-K346 WeakPolarHBondContact O-CB 3.47Å; P43-K346 PolarHBondContact O-N 3.48Å; P342-K346 WeakPolarHBondContact O-CB 3.41Å; P342-K346 PolarHBondContact O-N 3.15Å; V344-K346 VanDerWaalsContact C-N 3.28Å; V344-K346 PolarHBondContact O-N 2.97Å; K346-I348 VanDerWaalsContact C-N 3.28Å; K346-I348 PolarHBondContact O-N 3.13Å; K346-H349 PolarHBondContact O-N 2.92Å
347	A	97.4	Very high	93.8	Very high	7 Å²	7	36.6 Å²	36.6	6%	0.058	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-34.8	179.6	0	0	0	0	0	112.5	V67 G68 L70 D343 V344	V67-A347 WeakPolarHBondContact CA-O 3.48Å; V67-A347 WeakPolarHBondContact CG1-O 3.34Å; G68-A347 PolarHBondContact N-O 3.15Å; L70-A347 HydrophobicContact CD2-CB 3.95Å; D343-A347 VanDerWaalsContact O-CB 3.31Å; D343-A347 WeakPolarHBondContact O-CB 3.5Å; D343-A347 PolarHBondContact O-N 2.81Å; V344-A347 WeakPolarHBondContact O-CB 3.37Å; V344-A347 PolarHBondContact O-N 2.68Å
348	I	97.9	Very high	93.7	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	9.1	-177.1	73.6	176.9	0	0	0	113.4	V67 L70 S79 F93 W95 F164 V344 K346 V350	V67-I348 HydrophobicContact CG1-CG2 4.09Å; L70-I348 HydrophobicContact CD2-CG2 4.16Å; S79-I348 WeakPolarHBondContact OG-CA 3.18Å; S79-I348 PolarHBondContact OG-O 2.92Å; F93-I348 HydrophobicContact CZ-CD1 4.37Å; W95-I348 HydrophobicContact CE3-CG2 4.3Å; W95-I348 HydrophobicContact CH2-CB 4.39Å; W95-I348 HydrophobicContact CH2-CG2 3.3Å; W95-I348 HydrophobicContact CZ2-CG2 3.64Å; W95-I348 HydrophobicContact CZ3-CB 4.35Å; W95-I348 HydrophobicContact CZ3-CD1 4.18Å; W95-I348 HydrophobicContact CZ3-CG2 3.66Å; F164-I348 HydrophobicContact CD2-CD1 4.49Å; F164-I348 HydrophobicContact CE2-CD1 3.72Å; F164-I348 HydrophobicContact CZ-CD1 4.07Å; V344-I348 HydrophobicContact CG1-CD1 4.41Å; V344-I348 WeakPolarHBondContact O-CG1 3.45Å; V344-I348 PolarHBondContact O-N 3.17Å; K346-I348 VanDerWaalsContact C-N 3.28Å; K346-I348 PolarHBondContact O-N 3.13Å; I348-V350 VanDerWaalsContact C-N 3.33Å; I348-V350 HydrophobicContact CD1-CG1 3.96Å; I348-V350 HydrophobicContact CD1-CG2 3.93Å; I348-V350 HydrophobicContact CG1-CB 4.33Å; I348-V350 HydrophobicContact CG1-CG1 3.82Å; I348-V350 HydrophobicContact CG1-CG2 3.71Å; I348-V350 PolarHBondContact O-N 3.21Å
349	H	98.1	Very high	93.5	Very high	37 Å²	37	33.6 Å²	33.6	17%	0.171	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	33.5	172.8	-45.8	-64	0	0	0	115.4	P46 L47 L64 M66 R345 K346	P46-H349 VanDerWaalsContact CA-O 3.28Å; P46-H349 WeakPolarHBondContact CA-O 3.3Å; L47-H349 HydrophobicContact CB-CB 3.63Å; L47-H349 HydrophobicContact CD2-CB 4.49Å; L47-H349 PolarHBondContact N-O 3.36Å; L64-H349 PolarHBondContact O-CE1 3.28Å; L64-H349 PolarHBondContact O-NE2 2.93Å; M66-H349 PolarHBondContact O-NE2 2.86Å; R345-H349 PolarHBondContact O-N 3.02Å; R345-H349 VanDerWaalsContact O-N 3.15Å; K346-H349 PolarHBondContact O-N 2.92Å
350	V	96.9	Very high	93.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.			trans	-96.7	-7.4	177.1	-63.1	0	0	0	0	113.3	Y81 F93 F164 R345 I348 N352 L353	Y81-V350 HydrophobicContact CE2-CG1 4.39Å; F93-V350 HydrophobicContact CD2-CG1 3.71Å; F93-V350 HydrophobicContact CE2-CG1 3.29Å; F93-V350 HydrophobicContact CZ-CG1 3.82Å; F164-V350 HydrophobicContact CB-CG1 4.16Å; F164-V350 HydrophobicContact CD1-CB 3.84Å; F164-V350 HydrophobicContact CD1-CG1 3.81Å; F164-V350 HydrophobicContact CD1-CG2 4.13Å; F164-V350 HydrophobicContact CD2-CG1 3.82Å; F164-V350 HydrophobicContact CE1-CB 3.97Å; F164-V350 HydrophobicContact CE1-CG1 4.14Å; F164-V350 HydrophobicContact CE1-CG2 3.72Å; F164-V350 HydrophobicContact CE2-CG1 4.14Å; F164-V350 HydrophobicContact CG-CB 4.21Å; F164-V350 HydrophobicContact CG-CG1 3.65Å; F164-V350 HydrophobicContact CZ-CB 4.43Å; F164-V350 HydrophobicContact CZ-CG1 4.29Å; F164-V350 HydrophobicContact CZ-CG2 3.93Å; R345-V350 HydrophobicContact CB-CG2 3.67Å; R345-V350 HydrophobicContact CG-CG2 3.86Å; R345-V350 PolarHBondContact NH2-O 3.24Å; R345-V350 WeakPolarHBondContact O-CG2 3.42Å; R345-V350 PolarHBondContact O-N 3.31Å; R345-V350 VanDerWaalsContact O-N 3.1Å; I348-V350 VanDerWaalsContact C-N 3.33Å; I348-V350 HydrophobicContact CD1-CG1 3.96Å; I348-V350 HydrophobicContact CD1-CG2 3.93Å; I348-V350 HydrophobicContact CG1-CB 4.33Å; I348-V350 HydrophobicContact CG1-CG1 3.82Å; I348-V350 HydrophobicContact CG1-CG2 3.71Å; I348-V350 PolarHBondContact O-N 3.21Å; V350-N352 PolarHBondContact O-N 3.4Å; V350-L353 WeakPolarHBondContact O-CB 3.12Å; V350-L353 PolarHBondContact O-N 3.05Å
351	G	93.8	Very high	93.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.6	-136.4	-179.2	0	0	0	0	0	112.6	P43 G44 R345	P43-G351 WeakPolarHBondContact O-CA 3.2Å; G44-G351 WeakPolarHBondContact O-CA 3.41Å; R345-G351 PolarHBondContact NE-O 3.29Å; R345-G351 PolarHBondContact NH2-O 3.35Å
352	N	92.1	Very high	93.6	Very high	110 Å²	110	35.9 Å²	35.9	59%	0.588	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.5	18.9	177.8	-161.6	37.4	0	0	0	114.4	V35 P43 V350	V35-N352 VanDerWaalsContact CG2-OD1 3.32Å; V35-N352 WeakPolarHBondContact CG2-OD1 3.41Å; P43-N352 HydrophobicContact CG-CB 3.89Å; V350-N352 PolarHBondContact O-N 3.4Å
353	L	92.6	Very high	93.6	Very high	41 Å²	41	41.2 Å²	41.2	22%	0.215	21%	0.209	C	C	.	.			trans	-63.7	153.9	179.4	-65.7	173.8	0	0	0	112.8	P46 Y81 F166 R345 V350	P46-L353 HydrophobicContact CB-CD1 3.53Å; P46-L353 HydrophobicContact CB-CG 4.17Å; P46-L353 HydrophobicContact CG-CD1 3.93Å; P46-L353 HydrophobicContact CG-CG 4.2Å; Y81-L353 HydrophobicContact CE1-CD1 4.26Å; Y81-L353 HydrophobicContact CE2-CD1 3.8Å; Y81-L353 VanDerWaalsContact OH-CD1 3.31Å; Y81-L353 WeakPolarHBondContact OH-CD1 3.46Å; F166-L353 HydrophobicContact CD1-CD1 4.12Å; F166-L353 HydrophobicContact CE1-CD1 3.54Å; F166-L353 HydrophobicContact CE1-CD2 4.3Å; F166-L353 HydrophobicContact CZ-CD1 4.21Å; F166-L353 HydrophobicContact CZ-CD2 4.36Å; R345-L353 PolarHBondContact NH1-O 2.92Å; R345-L353 VanDerWaalsContact NH1-O 3.12Å; R345-L353 PolarHBondContact NH2-O 2.96Å; V350-L353 WeakPolarHBondContact O-CB 3.12Å; V350-L353 PolarHBondContact O-N 3.05Å
354	T	90.6	Very high	93.7	Very high	51 Å²	51	37.7 Å²	37.7	31%	0.313	19%	0.19	S	C	.	.			trans	-67.4	139.9	-179.8	-59.4	0	0	0	0	110.3	H356	T354-H356 PolarHBondContact O-CD2 2.99Å
355	F	93.4	Very high	93.7	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.048	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-94.2	101.9	164.8	-171.3	-116.1	0	0	0	107.5	T120 G163 F164 F335 V339	T120-F355 HydrophobicContact CG2-CZ 3.92Å; G163-F355 CarbonylContact O-C 3.48Å; G163-F355 WeakPolarHBondContact O-CA 3.21Å; F164-F355 HydrophobicContact CD1-CB 4.34Å; F164-F355 AromaticContact CD1-CD2 3.7Å; F164-F355 HydrophobicContact CD1-CD2 3.7Å; F164-F355 HydrophobicContact CD1-CG 4.49Å; F164-F355 AromaticContact CD2-CD2 3.81Å; F164-F355 HydrophobicContact CD2-CD2 3.81Å; F164-F355 AromaticContact CD2-CE2 3.88Å; F164-F355 HydrophobicContact CD2-CE2 3.88Å; F164-F355 HydrophobicContact CE1-CB 3.92Å; F164-F355 AromaticContact CE1-CD2 3.55Å; F164-F355 HydrophobicContact CE1-CD2 3.55Å; F164-F355 HydrophobicContact CE1-CE2 4.44Å; F164-F355 HydrophobicContact CE1-CG 4.1Å; F164-F355 AromaticContact CE2-CD2 3.69Å; F164-F355 HydrophobicContact CE2-CD2 3.69Å; F164-F355 AromaticContact CE2-CE2 3.76Å; F164-F355 HydrophobicContact CE2-CE2 3.76Å; F164-F355 AromaticContact CG-CD2 3.82Å; F164-F355 HydrophobicContact CG-CD2 3.82Å; F164-F355 HydrophobicContact CG-CE2 4.29Å; F164-F355 HydrophobicContact CZ-CB 4.46Å; F164-F355 AromaticContact CZ-CD2 3.55Å; F164-F355 HydrophobicContact CZ-CD2 3.55Å; F164-F355 HydrophobicContact CZ-CE2 4.06Å; F164-F355 HydrophobicContact CZ-CG 4.23Å; F335-F355 HydrophobicContact CE2-CZ 4.3Å; V339-F355 HydrophobicContact CG2-CD1 4Å; V339-F355 HydrophobicContact CG2-CD2 4.33Å; V339-F355 HydrophobicContact CG2-CE1 3.78Å; V339-F355 HydrophobicContact CG2-CE2 4.14Å; V339-F355 HydrophobicContact CG2-CG 4.26Å; V339-F355 HydrophobicContact CG2-CZ 3.83Å
356	H	90.8	Very high	93.6	Very high	63 Å²	63	39.5 Å²	39.5	29%	0.292	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	143	-174.8	-63.2	-85.4	0	0	0	111.3	G161 G163 T354 G358	G161-H356 WeakPolarHBondContact O-CB 3.38Å; G163-H356 WeakPolarHBondContact CA-O 3.44Å; G163-H356 PolarHBondContact N-O 3.05Å; G163-H356 VanDerWaalsContact N-O 3.1Å; G163-H356 WeakPolarHBondContact O-CB 3.21Å; G163-H356 PolarHBondContact O-CD2 2.89Å; G163-H356 PolarHBondContact O-N 3.4Å; T354-H356 PolarHBondContact O-CD2 2.99Å; H356-G358 VanDerWaalsContact C-N 3.3Å
357	D	86.5	Confident	93.5	Very high	57 Å²	57	39 Å²	39	31%	0.305	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	3.7	178.7	62.1	9.7	0	0	0	113.6	K31 S32 S359	K31-D357 PolarHBondContact N-OD2 3Å; S32-D357 PolarHBondContact N-OD2 3.06Å; D357-S359 VanDerWaalsContact C-N 3.29Å; D357-S359 PolarHBondContact O-N 3.11Å; D357-S359 WeakPolarHBondContact OD1-CB 3.38Å; D357-S359 PolarHBondContact OD1-N 3.22Å; D357-S359 PolarHBondContact OD1-OG 2.86Å
358	G	90.3	Very high	93.5	Very high	4 Å²	4	39 Å²	39	4%	0.041	20%	0.197	C	C	.	.	S	Bend	trans	81.3	-3.5	177.6	0	0	0	0	0	115.5	G118 H356 E360 V361 E362	G118-G358 VanDerWaalsContact O-CA 3.3Å; G118-G358 WeakPolarHBondContact O-CA 3.5Å; H356-G358 VanDerWaalsContact C-N 3.3Å; G358-E360 PolarHBondContact O-N 3.37Å; G358-V361 WeakPolarHBondContact O-CA 3.4Å; G358-V361 VanDerWaalsContact O-CB 3.28Å; G358-V361 WeakPolarHBondContact O-CB 3.38Å; G358-V361 PolarHBondContact O-N 3.27Å; G358-E362 PolarHBondContact O-N 3.32Å
359	S	89.1	Confident	93.5	Very high	44 Å²	44	39.2 Å²	39.2	31%	0.308	20%	0.198	S	C	.	.	H	α-helix	trans	-59.2	-39.9	-175.1	53.1	0	0	0	0	114.5	D357 V361 E362 K363	D357-S359 VanDerWaalsContact C-N 3.29Å; D357-S359 PolarHBondContact O-N 3.11Å; D357-S359 WeakPolarHBondContact OD1-CB 3.38Å; D357-S359 PolarHBondContact OD1-N 3.22Å; D357-S359 PolarHBondContact OD1-OG 2.86Å; S359-V361 VanDerWaalsContact C-N 3.31Å; S359-V361 PolarHBondContact O-N 3.25Å; S359-E362 PolarHBondContact O-N 3.34Å; S359-K363 PolarHBondContact O-N 2.73Å; S359-K363 VanDerWaalsContact O-N 3.14Å
360	E	92.8	Very high	93.4	Very high	80 Å²	80	37.6 Å²	37.6	37%	0.374	19%	0.191	S	C	.	.	H	α-helix	trans	-67.8	-33.7	175	-68.7	-57.1	140.6	0	0	111.5	F173 G358 K363 H364	F173-E360 HydrophobicContact CE1-CB 3.8Å; F173-E360 HydrophobicContact CE2-CB 4.42Å; F173-E360 HydrophobicContact CZ-CB 3.75Å; F173-E360 HydrophobicContact CZ-CG 4.42Å; G358-E360 PolarHBondContact O-N 3.37Å; E360-K363 PolarHBondContact O-N 3.24Å; E360-K363 IonicContact OE2-NZ 3.47Å; E360-K363 PolarHBondContact OE2-NZ 3.07Å; E360-H364 PolarHBondContact O-N 2.91Å; E360-H364 VanDerWaalsContact O-N 3.13Å; E360-H364 PolarHBondContact O-ND1 2.97Å; E360-H364 IonicContact OE2-CE1 3.75Å
361	V	95.2	Very high	93.5	Very high	3 Å²	3	40.8 Å²	40.8	2%	0.018	21%	0.205	C	C	.	.	H	α-helix	trans	-64	-46.7	176.4	174.2	0	0	0	0	110.6	P159 V160 G161 F173 G358 S359 K363 H364 L365	P159-V361 HydrophobicContact CB-CG1 4.27Å; P159-V361 HydrophobicContact CG-CG1 4.08Å; V160-V361 VanDerWaalsContact O-CG2 3.28Å; V160-V361 WeakPolarHBondContact O-CG2 3.48Å; G161-V361 VanDerWaalsContact C-CG2 3.45Å; F173-V361 HydrophobicContact CD1-CG2 4.22Å; F173-V361 HydrophobicContact CE1-CG2 4.36Å; G358-V361 WeakPolarHBondContact O-CA 3.4Å; G358-V361 VanDerWaalsContact O-CB 3.28Å; G358-V361 WeakPolarHBondContact O-CB 3.38Å; G358-V361 PolarHBondContact O-N 3.27Å; S359-V361 VanDerWaalsContact C-N 3.31Å; S359-V361 PolarHBondContact O-N 3.25Å; V361-K363 PolarHBondContact O-N 3.1Å; V361-H364 PolarHBondContact O-N 2.71Å; V361-L365 HydrophobicContact CG1-CD1 3.88Å; V361-L365 WeakPolarHBondContact O-CB 3.35Å; V361-L365 PolarHBondContact O-N 3.05Å
362	E	92.1	Very high	93.7	Very high	25 Å²	25	43.1 Å²	43.1	12%	0.117	22%	0.221	C	C	.	.	H	α-helix	trans	-57.8	-48	177.7	178.1	174.3	-136.6	0	0	112.1	P117 G358 S359 H364 L365 L366	P117-E362 HydrophobicContact CG-CB 4.25Å; P117-E362 HydrophobicContact CG-CG 4.18Å; G358-E362 PolarHBondContact O-N 3.32Å; S359-E362 PolarHBondContact O-N 3.34Å; E362-H364 VanDerWaalsContact C-N 3.28Å; E362-H364 PolarHBondContact O-N 2.87Å; E362-L365 CarbonylContact O-C 3.46Å; E362-L365 PolarHBondContact O-N 2.83Å; E362-L365 VanDerWaalsContact O-N 3.11Å; E362-L366 PolarHBondContact O-N 3.12Å
363	K	92.5	Very high	94	Very high	130 Å²	130	38.3 Å²	38.3	57%	0.565	20%	0.195	S	C	*	.	H	α-helix	trans	-57.2	-40.6	177.4	178.2	-175.5	164.3	-157.1	0	112.6	S359 E360 V361 L366	S359-K363 PolarHBondContact O-N 2.73Å; S359-K363 VanDerWaalsContact O-N 3.14Å; E360-K363 PolarHBondContact O-N 3.24Å; E360-K363 IonicContact OE2-NZ 3.47Å; E360-K363 PolarHBondContact OE2-NZ 3.07Å; V361-K363 PolarHBondContact O-N 3.1Å; K363-L366 WeakPolarHBondContact O-CB 2.95Å
364	H	96.3	Very high	94.2	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.102	19%	0.194	C	C	.	.	H	α-helix	trans	-74.3	-29.2	178.9	-74.3	90.4	0	0	0	112.9	D170 F173 E360 V361 E362	D170-H364 IonicContact OD1-CE1 3.31Å; D170-H364 PolarHBondContact OD1-CE1 2.89Å; D170-H364 VanDerWaalsContact OD1-CE1 3.3Å; D170-H364 IonicContact OD1-NE2 3.77Å; D170-H364 PolarHBondContact OD1-NE2 3.43Å; D170-H364 IonicContact OD2-NE2 3.45Å; D170-H364 PolarHBondContact OD2-NE2 2.86Å; F173-H364 HydrophobicContact CB-CB 3.91Å; F173-H364 AromaticContact CD2-CE1 3.38Å; F173-H364 WeakPolarHBondContact CD2-CE1 3.39Å; F173-H364 AromaticContact CD2-ND1 3.7Å; F173-H364 AromaticContact CD2-NE2 3.79Å; F173-H364 AromaticContact CE2-CE1 3.94Å; F173-H364 AromaticContact CG-CE1 3.82Å; F173-H364 AromaticContact CG-CG 3.96Å; F173-H364 AromaticContact CG-ND1 3.64Å; E360-H364 PolarHBondContact O-N 2.91Å; E360-H364 VanDerWaalsContact O-N 3.13Å; E360-H364 PolarHBondContact O-ND1 2.97Å; E360-H364 IonicContact OE2-CE1 3.75Å; V361-H364 PolarHBondContact O-N 2.71Å; E362-H364 VanDerWaalsContact C-N 3.28Å; E362-H364 PolarHBondContact O-N 2.87Å
365	L	96.5	Very high	94.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-91.8	1.2	177.4	-74.8	173.8	0	0	0	114.3	P117 P159 Y211 Y215 V361 E362 Q367 D368 V369	P117-L365 HydrophobicContact CB-CB 4.22Å; P117-L365 HydrophobicContact CB-CD1 3.68Å; P117-L365 HydrophobicContact CG-CB 4.2Å; P159-L365 HydrophobicContact CG-CD1 4.08Å; Y211-L365 HydrophobicContact CE1-CD1 4.4Å; Y215-L365 HydrophobicContact CE1-CD1 4.13Å; Y215-L365 WeakPolarHBondContact OH-CD1 3.33Å; V361-L365 HydrophobicContact CG1-CD1 3.88Å; V361-L365 WeakPolarHBondContact O-CB 3.35Å; V361-L365 PolarHBondContact O-N 3.05Å; E362-L365 CarbonylContact O-C 3.46Å; E362-L365 PolarHBondContact O-N 2.83Å; E362-L365 VanDerWaalsContact O-N 3.11Å; L365-Q367 PolarHBondContact O-N 3.48Å; L365-Q367 VanDerWaalsContact O-N 3.12Å; L365-D368 HydrophobicContact CD2-CB 4.15Å; L365-D368 WeakPolarHBondContact O-CA 3.32Å; L365-D368 VanDerWaalsContact O-CB 3.28Å; L365-D368 WeakPolarHBondContact O-CB 3.24Å; L365-D368 PolarHBondContact O-N 2.9Å; L365-V369 PolarHBondContact O-N 2.88Å; L365-V369 VanDerWaalsContact O-N 3.14Å
366	L	93.9	Very high	94.8	Very high	37 Å²	37	41.6 Å²	41.6	19%	0.194	21%	0.212	C	C	.	.	H	α-helix	trans	-54.4	-36.9	-177.2	-161.5	68.3	0	0	0	113.4	V290 F293 E362 K363 D368	V290-L366 HydrophobicContact CG1-CD2 3.77Å; V290-L366 HydrophobicContact CG1-CG 4.4Å; V290-L366 HydrophobicContact CG2-CD2 4.13Å; V290-L366 HydrophobicContact CG2-CG 4.2Å; F293-L366 HydrophobicContact CB-CD1 4.43Å; F293-L366 HydrophobicContact CD1-CD1 3.29Å; F293-L366 HydrophobicContact CD1-CG 4.26Å; F293-L366 HydrophobicContact CD2-CD1 4.19Å; F293-L366 HydrophobicContact CE1-CD1 3.43Å; F293-L366 VanDerWaalsContact CE1-CD1 3.43Å; F293-L366 HydrophobicContact CE2-CD1 4.29Å; F293-L366 HydrophobicContact CG-CD1 3.68Å; F293-L366 HydrophobicContact CZ-CD1 3.93Å; E362-L366 PolarHBondContact O-N 3.12Å; K363-L366 WeakPolarHBondContact O-CB 2.95Å; L366-D368 PolarHBondContact O-N 2.58Å
367	Q	95.4	Very high	95.1	Very high	97 Å²	97	38.6 Å²	38.6	45%	0.453	20%	0.198	S	C	.	.	H	α-helix	trans	-69.1	-18	175.6	-74.4	-77	-6.8	0	0	113.4	W289 V290 L365 K371	W289-Q367 WeakPolarHBondContact CB-O 3.38Å; V290-Q367 HydrophobicContact CG2-CG 3.97Å; V290-Q367 VanDerWaalsContact CG2-NE2 3.34Å; L365-Q367 PolarHBondContact O-N 3.48Å; L365-Q367 VanDerWaalsContact O-N 3.12Å; Q367-K371 WeakPolarHBondContact O-CE 3.25Å; Q367-K371 PolarHBondContact O-NZ 3.49Å
368	D	97.6	Very high	95.7	Very high	8 Å²	8	36 Å²	36	4%	0.043	18%	0.184	C	C	.	.	H	α-helix	trans	-97.1	-26.2	-178	-169.7	-95.7	0	0	0	112.3	N176 Q177 Y211 K214 L365 L366 M370 K371	N176-D368 WeakPolarHBondContact CA-OD2 3.46Å; Q177-D368 WeakPolarHBondContact CG-OD1 3.25Å; Q177-D368 PolarHBondContact N-OD2 2.81Å; Q177-D368 PolarHBondContact NE2-OD1 2.95Å; Y211-D368 PolarHBondContact OH-OD1 2.97Å; K214-D368 PolarHBondContact NZ-O 3.08Å; L365-D368 HydrophobicContact CD2-CB 4.15Å; L365-D368 WeakPolarHBondContact O-CA 3.32Å; L365-D368 VanDerWaalsContact O-CB 3.28Å; L365-D368 WeakPolarHBondContact O-CB 3.24Å; L365-D368 PolarHBondContact O-N 2.9Å; L366-D368 PolarHBondContact O-N 2.58Å; D368-M370 PolarHBondContact O-N 3.09Å; D368-M370 VanDerWaalsContact O-N 3.09Å; D368-K371 WeakPolarHBondContact O-CB 3.32Å; D368-K371 PolarHBondContact O-N 2.75Å
369	V	96.1	Very high	96	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.018	20%	0.197	C	C	.	.	H	α-helix	trans	-54.8	-37.1	-173	179.3	0	0	0	0	113.6	P117 Y211 K214 L245 P248 F293 L365	P117-V369 HydrophobicContact CG-CG2 4.08Å; Y211-V369 HydrophobicContact CE2-CB 4.06Å; Y211-V369 HydrophobicContact CE2-CG1 3.98Å; Y211-V369 HydrophobicContact CE2-CG2 3.8Å; Y211-V369 VanDerWaalsContact OH-CA 3.27Å; Y211-V369 WeakPolarHBondContact OH-CA 3.5Å; Y211-V369 PolarHBondContact OH-N 3.06Å; K214-V369 PolarHBondContact NZ-O 3.32Å; L245-V369 HydrophobicContact CD2-CG1 4.11Å; P248-V369 WeakPolarHBondContact CG-O 3.41Å; F293-V369 HydrophobicContact CD2-CB 3.85Å; F293-V369 HydrophobicContact CD2-CG1 3.51Å; F293-V369 HydrophobicContact CD2-CG2 4.26Å; F293-V369 HydrophobicContact CE2-CB 4.37Å; F293-V369 HydrophobicContact CE2-CG1 3.86Å; F293-V369 HydrophobicContact CE2-CG2 4.38Å; L365-V369 PolarHBondContact O-N 2.88Å; L365-V369 VanDerWaalsContact O-N 3.14Å
370	M	97.5	Very high	96.5	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.015	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.7	-179	-57.4	-53.2	-99	0	0	114.5	P248 L252 I284 W289 A292 F293 F296 D368	P248-M370 HydrophobicContact CB-CE 4.41Å; P248-M370 HydrophobicContact CB-SD 4.04Å; L252-M370 HydrophobicContact CD1-CE 3.61Å; L252-M370 HydrophobicContact CD2-CE 4.34Å; L252-M370 HydrophobicContact CG-CE 4.25Å; I284-M370 HydrophobicContact CD1-CB 4.23Å; I284-M370 HydrophobicContact CD1-CE 4.24Å; I284-M370 HydrophobicContact CG1-CB 3.98Å; W289-M370 HydrophobicContact CE3-CB 4.07Å; W289-M370 WeakPolarHBondContact CZ3-O 3.46Å; W289-M370 WeakPolarHBondContact O-CG 3.37Å; A292-M370 HydrophobicContact CB-CB 4.02Å; A292-M370 HydrophobicContact CB-CE 4.19Å; A292-M370 HydrophobicContact CB-CG 3.85Å; A292-M370 WeakPolarHBondContact O-CE 3.23Å; F293-M370 HydrophobicContact CB-CG 3.89Å; F296-M370 HydrophobicContact CB-CE 3.7Å; F296-M370 HydrophobicContact CB-SD 4.43Å; F296-M370 HydrophobicContact CG-CE 4.31Å; D368-M370 PolarHBondContact O-N 3.09Å; D368-M370 VanDerWaalsContact O-N 3.09Å
371	K	98.3	Very high	96.8	Very high	67 Å²	67	33.2 Å²	33.2	29%	0.291	17%	0.167	S	C	.	.	S	Bend	trans	-81.1	149.7	174.5	-65.7	-178.9	-178.7	159.1	0	111.8	K214 P248 W289 Q367 D368	K214-K371 PolarHBondContact NZ-O 3.45Å; P248-K371 WeakPolarHBondContact CD-O 3.45Å; W289-K371 HydrophobicContact CD2-CG 3.75Å; W289-K371 HydrophobicContact CE3-CG 4.05Å; W289-K371 HydrophobicContact CG-CG 4.17Å; W289-K371 HydrophobicContact CH2-CG 4.4Å; W289-K371 HydrophobicContact CZ2-CG 4.13Å; W289-K371 HydrophobicContact CZ3-CG 4.35Å; W289-K371 VanDerWaalsContact NE1-CE 3.34Å; Q367-K371 WeakPolarHBondContact O-CE 3.25Å; Q367-K371 PolarHBondContact O-NZ 3.49Å; D368-K371 WeakPolarHBondContact O-CB 3.32Å; D368-K371 PolarHBondContact O-N 2.75Å
372	S	98.1	Very high	96.9	Very high	50 Å²	50	36.7 Å²	36.7	35%	0.35	19%	0.185	S	C	.	.			trans	-84	138.7	176.1	-171.9	0	0	0	0	112.4	D247 K374	D247-S372 WeakPolarHBondContact OD1-CB 3.28Å; D247-S372 PolarHBondContact OD1-OG 2.74Å; S372-K374 WeakPolarHBondContact OG-CB 3.4Å; S372-K374 PolarHBondContact OG-N 3.32Å
373	I	97.9	Very high	97.2	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.041	20%	0.203	C	C	.	.			trans	-99.7	-0.4	168.4	-152.4	60.1	0	0	0	112.5	Q177 G213 K214 P217 C246 P375 W376 L377	Q177-I373 HydrophobicContact CB-CD1 4.03Å; Q177-I373 HydrophobicContact CG-CD1 3.94Å; G213-I373 WeakPolarHBondContact O-CG2 3.47Å; K214-I373 HydrophobicContact CG-CB 4.46Å; P217-I373 HydrophobicContact CB-CG1 3.8Å; P217-I373 HydrophobicContact CB-CG2 4.41Å; P217-I373 HydrophobicContact CG-CG1 4.38Å; P217-I373 HydrophobicContact CG-CG2 4.18Å; C246-I373 HydrophobicContact CB-CG2 4.03Å; C246-I373 PolarHBondContact O-N 3.1Å; I373-P375 VanDerWaalsContact C-N 3.32Å; I373-P375 VanDerWaalsContact O-N 3.15Å; I373-W376 HydrophobicContact CD1-CD2 3.85Å; I373-W376 HydrophobicContact CD1-CE3 3.34Å; I373-W376 HydrophobicContact CD1-CG 4.41Å; I373-W376 HydrophobicContact CD1-CZ3 3.75Å; I373-W376 HydrophobicContact CG1-CE3 4.16Å; I373-W376 PolarHBondContact O-N 3.4Å; I373-L377 PolarHBondContact O-N 2.99Å
374	K	96.9	Very high	97.5	Very high	43 Å²	43	35.8 Å²	35.8	19%	0.187	18%	0.184	C	C	.	.	H	α-helix	trans	-49.2	-38.9	-175.3	-177.9	164.9	66.6	-166.8	0	114.8	D247 S372 W376 L377 G378 F405 T408 V409	D247-K374 IonicContact OD1-NZ 3.74Å; D247-K374 IonicContact OD2-NZ 2.75Å; D247-K374 PolarHBondContact OD2-NZ 3.19Å; S372-K374 WeakPolarHBondContact OG-CB 3.4Å; S372-K374 PolarHBondContact OG-N 3.32Å; K374-W376 VanDerWaalsContact C-N 3.35Å; K374-W376 PolarHBondContact O-N 3.03Å; K374-L377 WeakPolarHBondContact O-CB 3.35Å; K374-L377 PolarHBondContact O-N 3.17Å; K374-G378 PolarHBondContact O-N 3.02Å; K374-F405 HydrophobicContact CD-CD2 4.46Å; K374-T408 PolarHBondContact NZ-OG1 3.19Å; K374-V409 HydrophobicContact CD-CG2 4.16Å; K374-V409 HydrophobicContact CG-CB 4.38Å; K374-V409 HydrophobicContact CG-CG1 4.36Å; K374-V409 HydrophobicContact CG-CG2 4.03Å
375	P	97.7	Very high	97.5	Very high	90 Å²	90	35.7 Å²	35.7	58%	0.584	18%	0.183	S	C	*	.	H	α-helix	trans	-62.1	-38.4	177.8	-25.3	36.3	0	0	0	113.8	I373	I373-P375 VanDerWaalsContact C-N 3.32Å; I373-P375 VanDerWaalsContact O-N 3.15Å
376	W	98.4	Very high	97.6	Very high	40 Å²	40	35.7 Å²	35.7	15%	0.152	18%	0.183	C	C	.	.	H	α-helix	trans	-74.1	-37.1	177.7	-63.9	-1.2	0	0	0	110.9	Q177 A218 Y221 Y222 I373 K374 G378 I379 L380	Q177-W376 HydrophobicContact CB-CH2 4.06Å; Q177-W376 HydrophobicContact CB-CZ3 3.77Å; A218-W376 HydrophobicContact CB-CE3 4.24Å; A218-W376 HydrophobicContact CB-CZ3 3.72Å; Y221-W376 AromaticContact CD1-CD2 3.69Å; Y221-W376 HydrophobicContact CD1-CD2 3.69Å; Y221-W376 AromaticContact CD1-CE2 3.75Å; Y221-W376 HydrophobicContact CD1-CE3 4.08Å; Y221-W376 AromaticContact CD1-CG 3.99Å; Y221-W376 HydrophobicContact CD1-CG 3.99Å; Y221-W376 HydrophobicContact CD1-CZ2 4.21Å; Y221-W376 HydrophobicContact CD2-CB 4.27Å; Y221-W376 HydrophobicContact CD2-CG 4.19Å; Y221-W376 HydrophobicContact CE1-CD2 4.24Å; Y221-W376 AromaticContact CE1-CE2 3.89Å; Y221-W376 HydrophobicContact CE1-CG 4.39Å; Y221-W376 HydrophobicContact CE1-CZ2 4.34Å; Y221-W376 AromaticContact CE1-NE1 3.79Å; Y221-W376 HydrophobicContact CG-CB 4.16Å; Y221-W376 AromaticContact CG-CD2 3.94Å; Y221-W376 HydrophobicContact CG-CD2 3.94Å; Y221-W376 HydrophobicContact CG-CE3 4.3Å; Y221-W376 AromaticContact CG-CG 3.87Å; Y221-W376 HydrophobicContact CG-CG 3.87Å; Y222-W376 HydrophobicContact CE2-CH2 4.13Å; I373-W376 HydrophobicContact CD1-CD2 3.85Å; I373-W376 HydrophobicContact CD1-CE3 3.34Å; I373-W376 HydrophobicContact CD1-CG 4.41Å; I373-W376 HydrophobicContact CD1-CZ3 3.75Å; I373-W376 HydrophobicContact CG1-CE3 4.16Å; I373-W376 PolarHBondContact O-N 3.4Å; K374-W376 VanDerWaalsContact C-N 3.35Å; K374-W376 PolarHBondContact O-N 3.03Å; W376-G378 VanDerWaalsContact C-N 3.34Å; W376-G378 PolarHBondContact O-N 2.68Å; W376-I379 PolarHBondContact O-N 3.21Å; W376-L380 VanDerWaalsContact O-CG 3.28Å; W376-L380 WeakPolarHBondContact O-CG 3.36Å; W376-L380 PolarHBondContact O-N 3.28Å
377	L	98.1	Very high	97.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.8	-45.6	174.9	-174.2	65.9	0	0	0	111.9	M239 I373 K374 I379 L380 M381 F405 V409	M239-L377 HydrophobicContact CE-CD1 3.33Å; I373-L377 PolarHBondContact O-N 2.99Å; K374-L377 WeakPolarHBondContact O-CB 3.35Å; K374-L377 PolarHBondContact O-N 3.17Å; L377-I379 PolarHBondContact O-N 3.09Å; L377-L380 PolarHBondContact O-N 2.65Å; L377-L380 VanDerWaalsContact O-N 3.14Å; L377-M381 HydrophobicContact CD1-CG 4.36Å; L377-M381 HydrophobicContact CD1-SD 4.38Å; L377-M381 HydrophobicContact CD2-SD 4.28Å; L377-M381 HydrophobicContact CG-CG 4.31Å; L377-M381 HydrophobicContact CG-SD 3.84Å; L377-M381 VanDerWaalsContact O-CG 3.27Å; L377-M381 WeakPolarHBondContact O-CG 3.31Å; L377-M381 PolarHBondContact O-N 2.74Å; L377-F405 HydrophobicContact CD2-CE2 3.68Å; L377-F405 HydrophobicContact CD2-CZ 4.27Å; L377-V409 HydrophobicContact CD2-CG2 4.04Å
378	G	98.2	Very high	98	Very high	2 Å²	2	29.4 Å²	29.4	2%	0.021	15%	0.153	C	C	.	.	H	α-helix	trans	-58.9	-44.8	178.6	0	0	0	0	0	113.4	K374 W376 L380 M381 D382 N410	K374-G378 PolarHBondContact O-N 3.02Å; W376-G378 VanDerWaalsContact C-N 3.34Å; W376-G378 PolarHBondContact O-N 2.68Å; G378-L380 VanDerWaalsContact C-N 3.31Å; G378-L380 PolarHBondContact O-N 2.99Å; G378-M381 PolarHBondContact O-N 3.5Å; G378-D382 PolarHBondContact O-N 3.02Å; G378-N410 WeakPolarHBondContact CA-O 3.36Å
379	I	98.4	Very high	98.1	Very high	59 Å²	59	29 Å²	29	30%	0.303	15%	0.151	S	C	.	.	H	α-helix	trans	-60.3	-43	175.5	-64	169.9	0	0	0	110.7	Y221 W376 L377 D382 N383	Y221-I379 HydrophobicContact CD2-CD1 4.39Å; Y221-I379 HydrophobicContact CD2-CG2 4.44Å; Y221-I379 HydrophobicContact CE2-CD1 3.63Å; Y221-I379 HydrophobicContact CE2-CG2 4.32Å; W376-I379 PolarHBondContact O-N 3.21Å; L377-I379 PolarHBondContact O-N 3.09Å; I379-D382 PolarHBondContact O-N 3.26Å; I379-N383 PolarHBondContact O-ND2 2.88Å
380	L	98.6	Very high	98.2	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-69.4	-39	-178.2	-67.3	167.2	0	0	0	112.3	P217 H224 F236 M239 W376 L377 G378 D382 N383 Y384	P217-L380 HydrophobicContact CB-CD1 4.01Å; P217-L380 WeakPolarHBondContact O-CD1 3.28Å; H224-L380 HydrophobicContact CB-CD2 4.31Å; F236-L380 HydrophobicContact CE1-CD2 4.45Å; M239-L380 HydrophobicContact CE-CB 3.61Å; M239-L380 HydrophobicContact CE-CD1 3.79Å; M239-L380 HydrophobicContact CE-CG 4.34Å; M239-L380 HydrophobicContact SD-CB 4.39Å; M239-L380 HydrophobicContact SD-CD1 3.8Å; W376-L380 VanDerWaalsContact O-CG 3.28Å; W376-L380 WeakPolarHBondContact O-CG 3.36Å; W376-L380 PolarHBondContact O-N 3.28Å; L377-L380 PolarHBondContact O-N 2.65Å; L377-L380 VanDerWaalsContact O-N 3.14Å; G378-L380 VanDerWaalsContact C-N 3.31Å; G378-L380 PolarHBondContact O-N 2.99Å; L380-D382 PolarHBondContact O-N 3.11Å; L380-N383 PolarHBondContact O-N 3.27Å; L380-N383 VanDerWaalsContact O-N 3.14Å; L380-Y384 HydrophobicContact CD2-CD2 3.79Å; L380-Y384 HydrophobicContact CD2-CE2 3.9Å; L380-Y384 PolarHBondContact O-N 3.18Å
381	M	98.4	Very high	98.2	Very high	10 Å²	10	28.9 Å²	28.9	5%	0.049	15%	0.15	C	C	.	.	H	α-helix	trans	-63.4	-28.8	175.9	-70	172.7	74.9	0	0	113	L377 G378 N383 V386 V409 W411 F444	L377-M381 HydrophobicContact CD1-CG 4.36Å; L377-M381 HydrophobicContact CD1-SD 4.38Å; L377-M381 HydrophobicContact CD2-SD 4.28Å; L377-M381 HydrophobicContact CG-CG 4.31Å; L377-M381 HydrophobicContact CG-SD 3.84Å; L377-M381 VanDerWaalsContact O-CG 3.27Å; L377-M381 WeakPolarHBondContact O-CG 3.31Å; L377-M381 PolarHBondContact O-N 2.74Å; G378-M381 PolarHBondContact O-N 3.5Å; M381-N383 VanDerWaalsContact C-N 3.34Å; M381-V386 HydrophobicContact CG-CB 4.31Å; M381-V386 HydrophobicContact CG-CG1 4.24Å; M381-V386 HydrophobicContact CG-CG2 4.08Å; M381-V409 HydrophobicContact SD-CB 4.42Å; M381-V409 HydrophobicContact SD-CG1 3.8Å; M381-W411 HydrophobicContact CB-CB 4.23Å; M381-W411 HydrophobicContact CB-CD2 4.09Å; M381-W411 HydrophobicContact CB-CE3 4.01Å; M381-W411 HydrophobicContact CB-CG 4.2Å; M381-W411 HydrophobicContact CE-CD2 3.74Å; M381-W411 HydrophobicContact CE-CE3 4.32Å; M381-W411 HydrophobicContact CE-CG 4.08Å; M381-W411 HydrophobicContact CE-CH2 4.24Å; M381-W411 HydrophobicContact CE-CZ2 3.64Å; M381-W411 HydrophobicContact SD-CG 4.37Å; M381-F444 HydrophobicContact CE-CB 4.33Å; M381-F444 HydrophobicContact CE-CD1 3.58Å; M381-F444 HydrophobicContact CE-CD2 3.64Å; M381-F444 HydrophobicContact CE-CE1 3.63Å; M381-F444 HydrophobicContact CE-CE2 3.73Å; M381-F444 HydrophobicContact CE-CG 3.57Å; M381-F444 HydrophobicContact CE-CZ 3.74Å
382	D	98.1	Very high	98.2	Very high	75 Å²	75	29 Å²	29	40%	0.401	15%	0.152	S	C	.	.	H	α-helix	trans	-77.5	-16.8	175.7	-81	-25.5	0	0	0	114	G378 I379 L380 S412	G378-D382 PolarHBondContact O-N 3.02Å; I379-D382 PolarHBondContact O-N 3.26Å; L380-D382 PolarHBondContact O-N 3.11Å; D382-S412 WeakPolarHBondContact OD1-CB 3.23Å; D382-S412 PolarHBondContact OD1-N 3.38Å; D382-S412 PolarHBondContact OD1-OG 2.94Å
383	N	98.1	Very high	98.2	Very high	92 Å²	92	27.5 Å²	27.5	49%	0.492	14%	0.14	S	C	.	.	H	α-helix	trans	-122.2	-18.2	-167.8	-73.1	-91.5	0	0	0	114.3	I379 L380 M381	I379-N383 PolarHBondContact O-ND2 2.88Å; L380-N383 PolarHBondContact O-N 3.27Å; L380-N383 VanDerWaalsContact O-N 3.14Å; M381-N383 VanDerWaalsContact C-N 3.34Å
384	Y	98.2	Very high	98.2	Very high	44 Å²	44	27.1 Å²	27.1	17%	0.173	14%	0.138	C	C	.	.	S	Bend	trans	-141.6	166.7	-170.5	-57.8	-75.2	0	0	0	111.9	H224 F236 L380	H224-Y384 HydrophobicContact CB-CE2 3.86Å; H224-Y384 AromaticContact CG-CE2 3.91Å; H224-Y384 AromaticContact ND1-CE2 3.41Å; H224-Y384 WeakPolarHBondContact ND1-CE2 3.13Å; H224-Y384 AromaticContact ND1-CZ 3.62Å; H224-Y384 PolarHBondContact ND1-OH 2.87Å; F236-Y384 AromaticContact CD1-CD1 3.64Å; F236-Y384 HydrophobicContact CD1-CD1 3.64Å; F236-Y384 HydrophobicContact CD1-CD2 4.27Å; F236-Y384 AromaticContact CD1-CE1 3.42Å; F236-Y384 HydrophobicContact CD1-CE1 3.42Å; F236-Y384 VanDerWaalsContact CD1-CE1 3.42Å; F236-Y384 HydrophobicContact CD1-CE2 4.06Å; F236-Y384 HydrophobicContact CD1-CG 4.08Å; F236-Y384 AromaticContact CD1-CZ 3.64Å; F236-Y384 AromaticContact CE1-CD1 3.8Å; F236-Y384 HydrophobicContact CE1-CD1 3.8Å; F236-Y384 AromaticContact CE1-CD2 3.76Å; F236-Y384 HydrophobicContact CE1-CD2 3.76Å; F236-Y384 AromaticContact CE1-CE1 3.92Å; F236-Y384 HydrophobicContact CE1-CE1 3.92Å; F236-Y384 AromaticContact CE1-CE2 3.87Å; F236-Y384 HydrophobicContact CE1-CE2 3.87Å; F236-Y384 AromaticContact CE1-CG 3.73Å; F236-Y384 HydrophobicContact CE1-CG 3.73Å; F236-Y384 AromaticContact CE1-CZ 3.96Å; F236-Y384 HydrophobicContact CG-CE1 4.37Å; L380-Y384 HydrophobicContact CD2-CD2 3.79Å; L380-Y384 HydrophobicContact CD2-CE2 3.9Å; L380-Y384 PolarHBondContact O-N 3.18Å
385	R	97.8	Very high	98.2	Very high	20 Å²	20	25.1 Å²	25.1	8%	0.075	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	127.7	172.3	-156.5	171.6	-176.7	-161.6	-14.4	110.1	K237 G238 M239 E443 F445 R470 F471 T474	K237-R385 PolarHBondContact O-N 2.05Å; G238-R385 CarbonylContact C-O 3.47Å; G238-R385 WeakPolarHBondContact CA-O 3.31Å; M239-R385 PolarHBondContact N-O 3.41Å; R385-E443 WeakPolarHBondContact CA-O 3.06Å; R385-E443 HydrophobicContact CB-CB 4.39Å; R385-E443 WeakPolarHBondContact CD-OE2 3.49Å; R385-E443 HydrophobicContact CG-CB 4.13Å; R385-E443 WeakPolarHBondContact CG-O 3.04Å; R385-E443 VanDerWaalsContact CG-OE2 3.27Å; R385-E443 WeakPolarHBondContact CG-OE2 3.36Å; R385-E443 IonicContact NE-OE2 3.54Å; R385-E443 PolarHBondContact NE-OE2 3.24Å; R385-E443 VanDerWaalsContact NE-OE2 3.17Å; R385-F445 HydrophobicContact CG-CD2 4.41Å; R385-F445 HydrophobicContact CG-CE2 3.87Å; R385-F445 VanDerWaalsContact NE-CE2 3.34Å; R385-R470 PolarHBondContact NH2-O 3.43Å; R385-F471 HydrophobicContact CB-CE2 4.33Å; R385-F471 HydrophobicContact CB-CZ 4.37Å; R385-F471 HydrophobicContact CG-CD2 4.41Å; R385-F471 HydrophobicContact CG-CE2 3.64Å; R385-F471 HydrophobicContact CG-CZ 4.13Å; R385-F471 PolarHBondContact NH1-O 2.03Å; R385-F471 PolarHBondContact NH2-O 3.18Å; R385-T474 VanDerWaalsContact NH1-CG2 3.28Å
386	V	98.6	Very high	98.1	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	124.6	-174.2	179.6	0	0	0	0	110.2	M239 M381 I388 E443 F444 F445	M239-V386 HydrophobicContact CE-CB 4.36Å; M239-V386 HydrophobicContact CE-CG1 3.71Å; M239-V386 HydrophobicContact CE-CG2 3.67Å; M239-V386 HydrophobicContact CG-CG1 4.21Å; M239-V386 HydrophobicContact CG-CG2 4.07Å; M239-V386 WeakPolarHBondContact O-CA 3.38Å; M381-V386 HydrophobicContact CG-CB 4.31Å; M381-V386 HydrophobicContact CG-CG1 4.24Å; M381-V386 HydrophobicContact CG-CG2 4.08Å; V386-I388 HydrophobicContact CG1-CD1 4.29Å; V386-I388 HydrophobicContact CG1-CG1 4.27Å; V386-E443 PolarHBondContact N-O 2.88Å; V386-F444 HydrophobicContact CB-CD2 3.97Å; V386-F444 HydrophobicContact CG1-CD2 3.96Å; V386-F444 HydrophobicContact CG1-CE2 4.14Å; V386-F444 CarbonylContact O-C 3.58Å; V386-F444 WeakPolarHBondContact O-CA 3.44Å; V386-F444 WeakPolarHBondContact O-CD2 3.36Å; V386-F445 PolarHBondContact O-N 3.39Å
387	L	98.6	Very high	98.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	124.3	169.8	173.7	65.9	0	0	0	109.6	M239 A240 I241 Y389 F445 V447 M467 I468 F471	M239-L387 PolarHBondContact O-N 2.83Å; A240-L387 CarbonylContact C-O 3.6Å; A240-L387 VanDerWaalsContact CA-O 3.26Å; A240-L387 WeakPolarHBondContact CA-O 3.12Å; A240-L387 HydrophobicContact CB-CB 3.98Å; A240-L387 HydrophobicContact CB-CD2 4.05Å; A240-L387 HydrophobicContact CB-CG 4.33Å; I241-L387 PolarHBondContact N-O 2.96Å; L387-Y389 HydrophobicContact CD2-CD1 3.89Å; L387-Y389 HydrophobicContact CG-CD1 3.98Å; L387-F445 WeakPolarHBondContact CA-O 3.49Å; L387-F445 HydrophobicContact CD1-CB 3.75Å; L387-V447 HydrophobicContact CD1-CB 3.91Å; L387-V447 HydrophobicContact CD1-CG2 3.54Å; L387-M467 HydrophobicContact CD2-CE 4.11Å; L387-M467 HydrophobicContact CD2-CG 4.27Å; L387-M467 HydrophobicContact CD2-SD 4.15Å; L387-I468 HydrophobicContact CD2-CD1 4.47Å; L387-F471 HydrophobicContact CB-CD1 4.33Å; L387-F471 HydrophobicContact CB-CD2 3.53Å; L387-F471 HydrophobicContact CB-CE1 4.29Å; L387-F471 HydrophobicContact CB-CE2 3.44Å; L387-F471 VanDerWaalsContact CB-CE2 3.44Å; L387-F471 HydrophobicContact CB-CG 3.96Å; L387-F471 HydrophobicContact CB-CZ 3.85Å; L387-F471 HydrophobicContact CD2-CB 3.94Å; L387-F471 HydrophobicContact CD2-CD1 4.25Å; L387-F471 HydrophobicContact CD2-CD2 4.22Å; L387-F471 HydrophobicContact CD2-CG 3.87Å; L387-F471 HydrophobicContact CG-CD2 4.35Å; L387-F471 HydrophobicContact CG-CG 4.48Å
388	I	98.6	Very high	98	Very high	3 Å²	3	19.5 Å²	19.5	2%	0.015	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	114.8	165.4	-57.3	-65.2	0	0	0	106.4	I241 V386 T402 L406 F444 F445 Q446 V447	I241-I388 HydrophobicContact CB-CD1 3.75Å; I241-I388 HydrophobicContact CD1-CD1 3.74Å; I241-I388 HydrophobicContact CG1-CD1 4.06Å; V386-I388 HydrophobicContact CG1-CD1 4.29Å; V386-I388 HydrophobicContact CG1-CG1 4.27Å; I388-T402 HydrophobicContact CG2-CG2 3.71Å; I388-L406 HydrophobicContact CG1-CD2 4.35Å; I388-L406 HydrophobicContact CG2-CD1 4.33Å; I388-F444 HydrophobicContact CB-CE2 4.31Å; I388-F444 HydrophobicContact CG1-CE2 3.74Å; I388-F444 HydrophobicContact CG1-CZ 4.29Å; I388-F445 PolarHBondContact N-O 3.15Å; I388-Q446 CarbonylContact O-C 3.52Å; I388-Q446 VanDerWaalsContact O-CA 3.3Å; I388-Q446 WeakPolarHBondContact O-CA 3.26Å; I388-V447 PolarHBondContact O-N 2.75Å
389	Y	98.6	Very high	98	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	151.8	179.3	67.9	-89.2	0	0	0	111.5	A240 I241 G242 D243 L387 V447 L456 M467	A240-Y389 HydrophobicContact CB-CE1 4.32Å; I241-Y389 VanDerWaalsContact C-CE1 3.5Å; I241-Y389 WeakPolarHBondContact O-CD1 3.45Å; I241-Y389 PolarHBondContact O-N 2.99Å; G242-Y389 CarbonylContact C-O 3.43Å; G242-Y389 WeakPolarHBondContact CA-O 3.33Å; G242-Y389 VanDerWaalsContact N-CE1 3.27Å; D243-Y389 PolarHBondContact N-O 2.91Å; L387-Y389 HydrophobicContact CD2-CD1 3.89Å; L387-Y389 HydrophobicContact CG-CD1 3.98Å; Y389-V447 CarbonylContact C-O 3.58Å; Y389-V447 WeakPolarHBondContact CA-O 3.36Å; Y389-L456 HydrophobicContact CD2-CD1 3.74Å; Y389-L456 HydrophobicContact CD2-CD2 4.38Å; Y389-L456 HydrophobicContact CE2-CB 4.46Å; Y389-L456 HydrophobicContact CE2-CD1 4.13Å; Y389-L456 HydrophobicContact CE2-CD2 4.26Å; Y389-M467 WeakPolarHBondContact CB-SD 3.47Å; Y389-M467 HydrophobicContact CD1-CE 3.73Å; Y389-M467 HydrophobicContact CD1-SD 4.05Å; Y389-M467 HydrophobicContact CD2-CE 3.82Å; Y389-M467 HydrophobicContact CD2-SD 3.92Å; Y389-M467 HydrophobicContact CE1-CE 3.93Å; Y389-M467 HydrophobicContact CE2-CE 4.05Å; Y389-M467 HydrophobicContact CG-CE 3.66Å; Y389-M467 HydrophobicContact CG-SD 3.54Å; Y389-M467 VanDerWaalsContact CG-SD 3.54Å
390	S	98.6	Very high	97.9	Very high	2 Å²	2	20 Å²	20	1%	0.014	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	143.3	179.3	-52.9	0	0	0	0	112.1	D243 V447 I448 I449	D243-S390 VanDerWaalsContact OD2-CA 3.27Å; D243-S390 WeakPolarHBondContact OD2-CA 3.33Å; S390-V447 PolarHBondContact N-O 2.75Å; S390-I448 WeakPolarHBondContact O-CA 3.45Å; S390-I449 PolarHBondContact O-N 3.3Å
391	G	98.3	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	133.6	163.8	0	0	0	0	0	110.9	D243 L393 G452 G453	D243-G391 VanDerWaalsContact CG-N 3.35Å; D243-G391 PolarHBondContact OD1-N 2.92Å; D243-G391 PolarHBondContact OD2-N 2.99Å; G391-L393 PolarHBondContact O-N 3.02Å; G391-G452 CarbonylContact C-O 3.54Å; G391-G452 WeakPolarHBondContact CA-O 3.11Å; G391-G453 WeakPolarHBondContact CA-O 2.99Å
392	Q	97.8	Very high	97.8	Very high	69 Å²	69	19.6 Å²	19.6	32%	0.322	10%	0.103	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-29.6	173.4	-174.4	-178.6	26.6	0	0	112.7	I448 I449 G452	Q392-I448 HydrophobicContact CB-CG2 4.17Å; Q392-I449 WeakPolarHBondContact CB-O 3.05Å; Q392-I449 PolarHBondContact N-O 3.46Å; Q392-I449 VanDerWaalsContact N-O 3.11Å; Q392-G452 PolarHBondContact N-O 3.36Å
393	L	97.9	Very high	97.7	Very high	20 Å²	20	17.9 Å²	17.9	11%	0.105	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	2.1	-170.8	-50.7	179	0	0	0	113.6	N322 Y323 M324 G391 G452	N322-L393 WeakPolarHBondContact CA-O 3.27Å; Y323-L393 HydrophobicContact CD1-CB 4.43Å; Y323-L393 WeakPolarHBondContact CD1-O 3.38Å; Y323-L393 VanDerWaalsContact CE1-CA 3.4Å; Y323-L393 HydrophobicContact CE1-CB 4.17Å; Y323-L393 HydrophobicContact CE1-CD2 4.21Å; Y323-L393 HydrophobicContact CE2-CD2 3.68Å; Y323-L393 VanDerWaalsContact CZ-CD2 3.45Å; Y323-L393 PolarHBondContact N-O 2.93Å; Y323-L393 VanDerWaalsContact N-O 3.16Å; Y323-L393 VanDerWaalsContact OH-CD2 3.23Å; Y323-L393 WeakPolarHBondContact OH-CD2 3.33Å; M324-L393 HydrophobicContact CG-CD1 3.61Å; M324-L393 HydrophobicContact CG-CD2 4.19Å; M324-L393 HydrophobicContact CG-CG 4.4Å; G391-L393 PolarHBondContact O-N 3.02Å; L393-G452 WeakPolarHBondContact CB-O 3.43Å; L393-G452 PolarHBondContact N-O 3.35Å
394	D	98.3	Very high	97.6	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.09	C	C	.	.			trans	-68.7	139.8	176.8	-175.6	19.5	0	0	0	110.9	D243 F258 I396 V397 A398 H454	D243-D394 WeakPolarHBondContact OD1-CB 3.36Å; F258-D394 WeakPolarHBondContact CZ-O 3.49Å; D394-I396 WeakPolarHBondContact OD1-CG2 3.22Å; D394-I396 PolarHBondContact OD1-N 3.1Å; D394-V397 VanDerWaalsContact OD2-CA 3.28Å; D394-V397 WeakPolarHBondContact OD2-CA 3.29Å; D394-V397 PolarHBondContact OD2-N 2.99Å; D394-A398 WeakPolarHBondContact O-CA 3.24Å; D394-A398 WeakPolarHBondContact O-CB 3.39Å; D394-H454 HydrophobicContact CB-CB 4.28Å; D394-H454 VanDerWaalsContact CG-ND1 3.29Å; D394-H454 WeakPolarHBondContact OD1-CB 3.19Å; D394-H454 IonicContact OD1-CG 2.94Å; D394-H454 IonicContact OD1-ND1 2.68Å; D394-H454 PolarHBondContact OD1-ND1 3.42Å; D394-H454 IonicContact OD2-CE1 3.6Å; D394-H454 IonicContact OD2-CG 2.86Å; D394-H454 IonicContact OD2-ND1 3.61Å; D394-H454 PolarHBondContact OD2-ND1 3.26Å
395	V	97.3	Very high	97.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.081	C	C	.	.	S	Bend	trans	-103.3	-40.7	170.9	-174.3	0	0	0	0	111.2	F258 L259 M264 L300 F311 Y320 Y323 V397	F258-V395 HydrophobicContact CE1-CB 4.27Å; F258-V395 HydrophobicContact CE1-CG1 4.03Å; F258-V395 HydrophobicContact CE1-CG2 4.35Å; L259-V395 HydrophobicContact CD2-CG1 3.85Å; M264-V395 HydrophobicContact CE-CG1 4.35Å; M264-V395 HydrophobicContact CE-CG2 3.92Å; M264-V395 HydrophobicContact SD-CG2 4.22Å; L300-V395 HydrophobicContact CD1-CG1 4.01Å; F311-V395 HydrophobicContact CD2-CG1 4.24Å; F311-V395 HydrophobicContact CE2-CG1 3.86Å; F311-V395 HydrophobicContact CE2-CG2 4.4Å; Y320-V395 WeakPolarHBondContact O-CA 3.08Å; Y320-V395 WeakPolarHBondContact O-CB 2.99Å; Y320-V395 PolarHBondContact O-N 2.66Å; Y323-V395 HydrophobicContact CD1-CG2 3.88Å; Y323-V395 HydrophobicContact CG-CG2 4.31Å; V395-V397 PolarHBondContact O-N 2.9Å
396	I	96.2	Very high	97.6	Very high	8 Å²	8	16 Å²	16	4%	0.041	8%	0.078	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-41.4	-170.1	-174.5	65.3	0	0	0	111.8	Y255 F296 L300 N301 Y320 F321 D394 H454	Y255-I396 PolarHBondContact OH-O 2.68Å; F296-I396 HydrophobicContact CE1-CD1 4.04Å; F296-I396 HydrophobicContact CE2-CD1 4.36Å; F296-I396 HydrophobicContact CZ-CD1 3.47Å; F296-I396 VanDerWaalsContact CZ-CD1 3.47Å; F296-I396 HydrophobicContact CZ-CG1 4.42Å; L300-I396 HydrophobicContact CD2-CD1 3.65Å; L300-I396 HydrophobicContact CG-CD1 3.82Å; N301-I396 WeakPolarHBondContact OD1-CD1 3.05Å; Y320-I396 HydrophobicContact CD2-CB 3.66Å; Y320-I396 HydrophobicContact CD2-CD1 4.35Å; Y320-I396 HydrophobicContact CD2-CG1 4.2Å; Y320-I396 HydrophobicContact CD2-CG2 4.06Å; Y320-I396 HydrophobicContact CE2-CB 4.13Å; Y320-I396 HydrophobicContact CE2-CD1 4.34Å; Y320-I396 HydrophobicContact CE2-CG1 4.21Å; Y320-I396 HydrophobicContact CE2-CG2 4.45Å; Y320-I396 HydrophobicContact CG-CB 4.45Å; Y320-I396 PolarHBondContact O-N 3.27Å; F321-I396 HydrophobicContact CD1-CG2 3.74Å; F321-I396 HydrophobicContact CE1-CG2 3.94Å; D394-I396 WeakPolarHBondContact OD1-CG2 3.22Å; D394-I396 PolarHBondContact OD1-N 3.1Å; I396-H454 HydrophobicContact CG2-CB 4.36Å; I396-H454 VanDerWaalsContact CG2-CE1 3.46Å; I396-H454 WeakPolarHBondContact CG2-CE1 3.48Å; I396-H454 VanDerWaalsContact CG2-ND1 3.31Å; I396-H454 WeakPolarHBondContact CG2-ND1 3.43Å
397	V	96.6	Very high	97.5	Very high	4 Å²	4	17.6 Å²	17.6	2%	0.024	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	51.3	174.8	-164.5	0	0	0	0	109.7	D243 L245 M251 D394 V395	D243-V397 HydrophobicContact CB-CB 4.48Å; D243-V397 WeakPolarHBondContact O-CB 3.46Å; D243-V397 WeakPolarHBondContact O-CG1 3.03Å; D243-V397 WeakPolarHBondContact O-CG2 3.4Å; L245-V397 HydrophobicContact CB-CG2 4.46Å; M251-V397 HydrophobicContact CE-CG1 4.1Å; D394-V397 VanDerWaalsContact OD2-CA 3.28Å; D394-V397 WeakPolarHBondContact OD2-CA 3.29Å; D394-V397 PolarHBondContact OD2-N 2.99Å; V395-V397 PolarHBondContact O-N 2.9Å
398	A	97.4	Very high	97.4	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.107	C	C	.	.			trans	-51.7	143.8	-173.1	0	0	0	0	0	113.6	F258 D394 P400 L401 T402	F258-A398 HydrophobicContact CD1-CB 3.94Å; F258-A398 HydrophobicContact CD2-CB 4.16Å; F258-A398 HydrophobicContact CE1-CB 3.63Å; F258-A398 HydrophobicContact CE2-CB 3.84Å; F258-A398 HydrophobicContact CG-CB 4.19Å; F258-A398 HydrophobicContact CZ-CB 3.56Å; D394-A398 WeakPolarHBondContact O-CA 3.24Å; D394-A398 WeakPolarHBondContact O-CB 3.39Å; A398-P400 VanDerWaalsContact C-CD 3.4Å; A398-P400 VanDerWaalsContact C-N 3.31Å; A398-P400 VanDerWaalsContact O-N 3.11Å; A398-L401 HydrophobicContact CB-CD1 4.16Å; A398-L401 HydrophobicContact CB-CG 4.08Å; A398-L401 WeakPolarHBondContact O-CA 2.98Å; A398-L401 VanDerWaalsContact O-CB 3.28Å; A398-L401 WeakPolarHBondContact O-CB 3.41Å; A398-L401 WeakPolarHBondContact O-CG 3.27Å; A398-L401 PolarHBondContact O-N 3.39Å; A398-T402 PolarHBondContact O-N 2.97Å
399	A	97.3	Very high	97.4	Very high	8 Å²	8	20.6 Å²	20.6	7%	0.066	11%	0.107	C	C	.	.	H	α-helix	trans	-49.9	-39.4	-178.4	0	0	0	0	0	114.9	L401 T402 E403 I448	A399-L401 VanDerWaalsContact C-N 3.25Å; A399-L401 PolarHBondContact O-N 3.22Å; A399-T402 PolarHBondContact O-N 3.34Å; A399-E403 WeakPolarHBondContact O-CG 3.47Å; A399-E403 PolarHBondContact O-N 3.28Å; A399-I448 HydrophobicContact CB-CD1 4.12Å; A399-I448 HydrophobicContact CB-CG1 4.29Å
400	P	97.3	Very high	97.3	Very high	64 Å²	64	27.8 Å²	27.8	42%	0.416	15%	0.145	S	C	.	.	H	α-helix	trans	-63.7	-25.7	175	-24.4	37.2	0	0	0	114.3	F258 A398 E403 R404	F258-P400 HydrophobicContact CD2-CG 3.92Å; F258-P400 HydrophobicContact CE2-CG 4.43Å; A398-P400 VanDerWaalsContact C-CD 3.4Å; A398-P400 VanDerWaalsContact C-N 3.31Å; A398-P400 VanDerWaalsContact O-N 3.11Å; P400-E403 WeakPolarHBondContact O-CB 3.32Å; P400-R404 WeakPolarHBondContact O-CG 3.36Å; P400-R404 PolarHBondContact O-N 3.4Å
401	L	97.7	Very high	97.3	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.148	C	C	.	.	H	α-helix	trans	-73.6	-41.4	176.4	-46.5	-179.4	0	0	0	110.3	M251 Y255 A398 A399 E403 R404	M251-L401 HydrophobicContact CB-CB 4.12Å; M251-L401 HydrophobicContact CG-CB 4.15Å; Y255-L401 HydrophobicContact CD1-CD1 3.92Å; Y255-L401 HydrophobicContact CD2-CD1 4.4Å; Y255-L401 HydrophobicContact CE1-CD1 3.34Å; Y255-L401 HydrophobicContact CE2-CD1 3.88Å; Y255-L401 HydrophobicContact CG-CD1 4.39Å; Y255-L401 WeakPolarHBondContact OH-CD1 3.48Å; A398-L401 HydrophobicContact CB-CD1 4.16Å; A398-L401 HydrophobicContact CB-CG 4.08Å; A398-L401 WeakPolarHBondContact O-CA 2.98Å; A398-L401 VanDerWaalsContact O-CB 3.28Å; A398-L401 WeakPolarHBondContact O-CB 3.41Å; A398-L401 WeakPolarHBondContact O-CG 3.27Å; A398-L401 PolarHBondContact O-N 3.39Å; A399-L401 VanDerWaalsContact C-N 3.25Å; A399-L401 PolarHBondContact O-N 3.22Å; L401-E403 VanDerWaalsContact C-N 3.31Å; L401-E403 PolarHBondContact O-N 3.46Å; L401-R404 WeakPolarHBondContact O-CB 3.45Å; L401-R404 PolarHBondContact O-N 3.43Å; L401-R404 VanDerWaalsContact O-N 3.09Å
402	T	97.3	Very high	97.2	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.006	18%	0.182	C	C	.	.	H	α-helix	trans	-59.5	-41.5	171.5	-66	0	0	0	0	111.6	I388 A398 A399 R404 F405 L406	I388-T402 HydrophobicContact CG2-CG2 3.71Å; A398-T402 PolarHBondContact O-N 2.97Å; A399-T402 PolarHBondContact O-N 3.34Å; T402-R404 PolarHBondContact O-N 2.9Å; T402-F405 HydrophobicContact CG2-CE1 3.87Å; T402-F405 VanDerWaalsContact O-CD1 3.22Å; T402-F405 WeakPolarHBondContact O-CD1 3.48Å; T402-F405 PolarHBondContact O-N 2.79Å; T402-L406 HydrophobicContact CG2-CD1 3.61Å; T402-L406 HydrophobicContact CG2-CG 4.06Å; T402-L406 WeakPolarHBondContact O-CG 3.46Å; T402-L406 PolarHBondContact O-N 2.86Å
403	E	95.6	Very high	97.2	Very high	39 Å²	39	30.6 Å²	30.6	18%	0.182	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-25.2	173.5	-75.5	-77	-173.9	0	0	114.5	A399 P400 L401 P407 R422 R439 Q446	A399-E403 WeakPolarHBondContact O-CG 3.47Å; A399-E403 PolarHBondContact O-N 3.28Å; P400-E403 WeakPolarHBondContact O-CB 3.32Å; L401-E403 VanDerWaalsContact C-N 3.31Å; L401-E403 PolarHBondContact O-N 3.46Å; E403-P407 WeakPolarHBondContact O-CD 3.38Å; E403-P407 VanDerWaalsContact O-CG 3.32Å; E403-P407 WeakPolarHBondContact O-CG 3.47Å; E403-R422 IonicContact OE1-CZ 3.02Å; E403-R422 IonicContact OE1-NH1 3.19Å; E403-R422 IonicContact OE1-NH2 3.5Å; E403-R422 PolarHBondContact OE1-NH2 3.28Å; E403-R439 IonicContact OE1-CZ 3.17Å; E403-R439 IonicContact OE1-NH1 3.93Å; E403-R439 PolarHBondContact OE1-NH1 2.83Å; E403-R439 IonicContact OE1-NH2 3.86Å; E403-R439 IonicContact OE2-CZ 4Å; E403-R439 IonicContact OE2-NH1 3.36Å; E403-R439 PolarHBondContact OE2-NH1 2.94Å; E403-R439 IonicContact OE2-NH2 3.97Å; E403-Q446 PolarHBondContact OE1-NE2 3.4Å; E403-Q446 PolarHBondContact OE1-OE1 2.97Å
404	R	96.5	Very high	97.2	Very high	116 Å²	116	30.3 Å²	30.3	44%	0.438	17%	0.171	S	C	.	.	H	α-helix	trans	-73.4	-37.1	179.8	-70.7	173.4	69.5	84.3	2.4	112.3	L250 G253 P400 L401 T402	L250-R404 PolarHBondContact O-NE 3.38Å; G253-R404 VanDerWaalsContact C-CZ 3.47Å; G253-R404 PolarHBondContact O-NH2 2.92Å; P400-R404 WeakPolarHBondContact O-CG 3.36Å; P400-R404 PolarHBondContact O-N 3.4Å; L401-R404 WeakPolarHBondContact O-CB 3.45Å; L401-R404 PolarHBondContact O-N 3.43Å; L401-R404 VanDerWaalsContact O-N 3.09Å; T402-R404 PolarHBondContact O-N 2.9Å
405	F	96.9	Very high	97.2	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-93.3	-34.5	-174.7	90.4	-92.5	0	0	0	113.5	C246 D247 L250 M251 K374 L377 T402 P407 T408 V409	C246-F405 HydrophobicContact CB-CE1 4.03Å; C246-F405 HydrophobicContact CB-CE2 3.82Å; C246-F405 HydrophobicContact CB-CZ 3.5Å; D247-F405 HydrophobicContact CB-CB 3.68Å; D247-F405 HydrophobicContact CB-CD1 4.42Å; D247-F405 HydrophobicContact CB-CD2 3.8Å; D247-F405 HydrophobicContact CB-CG 3.71Å; L250-F405 HydrophobicContact CB-CB 3.84Å; L250-F405 HydrophobicContact CD1-CB 3.94Å; M251-F405 HydrophobicContact CE-CD1 3.41Å; M251-F405 VanDerWaalsContact CE-CD1 3.41Å; M251-F405 HydrophobicContact CE-CE1 3.25Å; M251-F405 HydrophobicContact CE-CZ 4.31Å; M251-F405 HydrophobicContact CG-CD1 4.17Å; M251-F405 HydrophobicContact SD-CD1 4.46Å; K374-F405 HydrophobicContact CD-CD2 4.46Å; L377-F405 HydrophobicContact CD2-CE2 3.68Å; L377-F405 HydrophobicContact CD2-CZ 4.27Å; T402-F405 HydrophobicContact CG2-CE1 3.87Å; T402-F405 VanDerWaalsContact O-CD1 3.22Å; T402-F405 WeakPolarHBondContact O-CD1 3.48Å; T402-F405 PolarHBondContact O-N 2.79Å; F405-P407 VanDerWaalsContact C-CD 3.49Å; F405-T408 WeakPolarHBondContact O-CA 3.38Å; F405-T408 WeakPolarHBondContact O-CB 3.22Å; F405-T408 PolarHBondContact O-N 2.75Å; F405-T408 PolarHBondContact O-OG1 2.94Å; F405-V409 HydrophobicContact CD2-CG2 3.98Å; F405-V409 HydrophobicContact CE2-CG2 4Å; F405-V409 PolarHBondContact O-N 2.82Å
406	L	97.4	Very high	97.2	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-53.6	-43.1	-176.3	-76.3	176.6	0	0	0	113.9	I388 T402 T408 V409 Y417 F444 Q446	I388-L406 HydrophobicContact CG1-CD2 4.35Å; I388-L406 HydrophobicContact CG2-CD1 4.33Å; T402-L406 HydrophobicContact CG2-CD1 3.61Å; T402-L406 HydrophobicContact CG2-CG 4.06Å; T402-L406 WeakPolarHBondContact O-CG 3.46Å; T402-L406 PolarHBondContact O-N 2.86Å; L406-T408 PolarHBondContact O-N 3.37Å; L406-T408 VanDerWaalsContact O-N 3.1Å; L406-V409 HydrophobicContact CD2-CG2 4.42Å; L406-V409 WeakPolarHBondContact O-CG2 3.43Å; L406-V409 PolarHBondContact O-N 2.75Å; L406-Y417 HydrophobicContact CB-CE1 3.84Å; L406-Y417 WeakPolarHBondContact CD1-OH 3.34Å; L406-F444 HydrophobicContact CD1-CZ 4.19Å; L406-F444 HydrophobicContact CD2-CZ 3.97Å; L406-Q446 HydrophobicContact CD1-CG 3.92Å
407	P	96.6	Very high	97.2	Very high	33 Å²	33	39.6 Å²	39.6	21%	0.214	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-63.5	-14.5	175.2	-22.3	33.8	0	0	0	114.6	E403 F405 Y417 K418	E403-P407 WeakPolarHBondContact O-CD 3.38Å; E403-P407 VanDerWaalsContact O-CG 3.32Å; E403-P407 WeakPolarHBondContact O-CG 3.47Å; F405-P407 VanDerWaalsContact C-CD 3.49Å; P407-Y417 HydrophobicContact CG-CE1 4.04Å; P407-K418 HydrophobicContact CB-CG 4.1Å; P407-K418 WeakPolarHBondContact O-CE 3.43Å; P407-K418 PolarHBondContact O-NZ 2.66Å
408	T	97.3	Very high	97.2	Very high	65 Å²	65	46.2 Å²	46.2	40%	0.399	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-99.6	-6.7	-178.4	79	0	0	0	0	113.2	L250 K374 F405 L406 N410	L250-T408 HydrophobicContact CD1-CG2 3.52Å; L250-T408 WeakPolarHBondContact CD1-OG1 3.2Å; K374-T408 PolarHBondContact NZ-OG1 3.19Å; F405-T408 WeakPolarHBondContact O-CA 3.38Å; F405-T408 WeakPolarHBondContact O-CB 3.22Å; F405-T408 PolarHBondContact O-N 2.75Å; F405-T408 PolarHBondContact O-OG1 2.94Å; L406-T408 PolarHBondContact O-N 3.37Å; L406-T408 VanDerWaalsContact O-N 3.1Å; T408-N410 PolarHBondContact O-N 3.01Å
409	V	98	Very high	97.2	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.012	29%	0.289	C	S	.	.	S	Bend	trans	-63.4	131.1	175.5	-174.3	0	0	0	0	108.2	K374 L377 M381 F405 L406 W411	K374-V409 HydrophobicContact CD-CG2 4.16Å; K374-V409 HydrophobicContact CG-CB 4.38Å; K374-V409 HydrophobicContact CG-CG1 4.36Å; K374-V409 HydrophobicContact CG-CG2 4.03Å; L377-V409 HydrophobicContact CD2-CG2 4.04Å; M381-V409 HydrophobicContact SD-CB 4.42Å; M381-V409 HydrophobicContact SD-CG1 3.8Å; F405-V409 HydrophobicContact CD2-CG2 3.98Å; F405-V409 HydrophobicContact CE2-CG2 4Å; F405-V409 PolarHBondContact O-N 2.82Å; L406-V409 HydrophobicContact CD2-CG2 4.42Å; L406-V409 WeakPolarHBondContact O-CG2 3.43Å; L406-V409 PolarHBondContact O-N 2.75Å; V409-W411 PolarHBondContact O-N 3.24Å
410	N	97	Very high	97.1	Very high	150 Å²	150	50.5 Å²	50.5	80%	0.802	29%	0.292	S	S	*	.			trans	-86.4	100.7	177.9	-174	31.8	0	0	0	109.6	G378 T408	G378-N410 WeakPolarHBondContact CA-O 3.36Å; T408-N410 PolarHBondContact O-N 3.01Å
411	W	97.9	Very high	97	Very high	21 Å²	21	52.6 Å²	52.6	8%	0.08	31%	0.305	C	S	.	.	S	Bend	trans	-151.8	163.4	177.1	71.7	-71.6	0	0	0	109.5	M381 V409 G413 A414 V441 F444	M381-W411 HydrophobicContact CB-CB 4.23Å; M381-W411 HydrophobicContact CB-CD2 4.09Å; M381-W411 HydrophobicContact CB-CE3 4.01Å; M381-W411 HydrophobicContact CB-CG 4.2Å; M381-W411 HydrophobicContact CE-CD2 3.74Å; M381-W411 HydrophobicContact CE-CE3 4.32Å; M381-W411 HydrophobicContact CE-CG 4.08Å; M381-W411 HydrophobicContact CE-CH2 4.24Å; M381-W411 HydrophobicContact CE-CZ2 3.64Å; M381-W411 HydrophobicContact SD-CG 4.37Å; V409-W411 PolarHBondContact O-N 3.24Å; W411-G413 VanDerWaalsContact C-N 3.29Å; W411-G413 VanDerWaalsContact CE2-C 3.48Å; W411-G413 VanDerWaalsContact CZ2-C 3.47Å; W411-G413 VanDerWaalsContact CZ3-CA 3.49Å; W411-G413 PolarHBondContact O-N 3.15Å; W411-A414 HydrophobicContact CG-CB 4.43Å; W411-A414 VanDerWaalsContact O-CB 3.29Å; W411-A414 WeakPolarHBondContact O-CB 3.32Å; W411-A414 PolarHBondContact O-N 3.14Å; W411-A414 VanDerWaalsContact O-N 3.13Å; W411-V441 HydrophobicContact CH2-CB 3.92Å; W411-V441 HydrophobicContact CH2-CG1 3.6Å; W411-V441 HydrophobicContact CZ2-CB 4.49Å; W411-V441 HydrophobicContact CZ2-CG1 4.32Å; W411-V441 HydrophobicContact CZ3-CG1 4.38Å; W411-F444 HydrophobicContact CH2-CB 3.73Å; W411-F444 AromaticContact CH2-CD1 3.92Å; W411-F444 HydrophobicContact CH2-CD1 3.92Å; W411-F444 HydrophobicContact CH2-CG 4.17Å; W411-F444 HydrophobicContact CZ2-CB 4.38Å; W411-F444 AromaticContact CZ2-CD1 3.73Å; W411-F444 HydrophobicContact CZ2-CD1 3.73Å; W411-F444 HydrophobicContact CZ2-CE1 4.43Å; W411-F444 HydrophobicContact CZ2-CG 4.33Å; W411-F444 HydrophobicContact CZ3-CB 4.22Å
412	S	97.9	Very high	96.9	Very high	102 Å²	102	56.8 Å²	56.8	71%	0.713	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.9	-172.8	59.7	0	0	0	0	114.2	D382	D382-S412 WeakPolarHBondContact OD1-CB 3.23Å; D382-S412 PolarHBondContact OD1-N 3.38Å; D382-S412 PolarHBondContact OD1-OG 2.94Å
413	G	97.7	Very high	96.8	Very high	7 Å²	7	60.2 Å²	60.2	7%	0.072	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5.4	178.5	0	0	0	0	0	115.5	W411 A415 E416 Y417	W411-G413 VanDerWaalsContact C-N 3.29Å; W411-G413 VanDerWaalsContact CE2-C 3.48Å; W411-G413 VanDerWaalsContact CZ2-C 3.47Å; W411-G413 VanDerWaalsContact CZ3-CA 3.49Å; W411-G413 PolarHBondContact O-N 3.15Å; G413-A415 VanDerWaalsContact C-N 3.33Å; G413-A415 PolarHBondContact O-N 2.86Å; G413-E416 PolarHBondContact O-N 2.98Å; G413-Y417 WeakPolarHBondContact O-CB 3.5Å; G413-Y417 PolarHBondContact O-N 3.33Å
414	A	97.1	Very high	96.8	Very high	15 Å²	15	63.6 Å²	63.6	12%	0.124	35%	0.352	C	S	.	.	H	α-helix	trans	-60.7	-36.9	-172.7	0	0	0	0	0	114.2	W411 K418	W411-A414 HydrophobicContact CG-CB 4.43Å; W411-A414 VanDerWaalsContact O-CB 3.29Å; W411-A414 WeakPolarHBondContact O-CB 3.32Å; W411-A414 PolarHBondContact O-N 3.14Å; W411-A414 VanDerWaalsContact O-N 3.13Å; A414-K418 WeakPolarHBondContact O-CG 3.46Å; A414-K418 PolarHBondContact O-N 3.03Å
415	A	97.3	Very high	96.7	Very high	80 Å²	80	58.2 Å²	58.2	66%	0.661	33%	0.331	S	S	*	.	H	α-helix	trans	-70.5	-40.9	178.2	0	0	0	0	0	111.7	G413 K418	G413-A415 VanDerWaalsContact C-N 3.33Å; G413-A415 PolarHBondContact O-N 2.86Å; A415-K418 PolarHBondContact O-N 2.87Å
416	E	97.9	Very high	96.7	Very high	121 Å²	121	61 Å²	61	57%	0.565	34%	0.344	S	S	*	.	H	α-helix	trans	-65.4	-42.7	175.6	-173	178.4	168.9	0	0	110.8	G413 K418 A419 A420 V441	G413-E416 PolarHBondContact O-N 2.98Å; E416-K418 VanDerWaalsContact C-N 3.29Å; E416-K418 PolarHBondContact O-N 2.9Å; E416-A419 CarbonylContact O-C 3.57Å; E416-A419 WeakPolarHBondContact O-CA 3.5Å; E416-A419 PolarHBondContact O-N 3.23Å; E416-A420 WeakPolarHBondContact O-CB 3.3Å; E416-A420 PolarHBondContact O-N 2.78Å; E416-V441 HydrophobicContact CB-CG1 3.96Å; E416-V441 HydrophobicContact CB-CG2 4.41Å; E416-V441 HydrophobicContact CG-CG1 3.91Å; E416-V441 HydrophobicContact CG-CG2 4.01Å
417	Y	97.5	Very high	96.5	Very high	2 Å²	2	62.8 Å²	62.8	1%	0.008	35%	0.353	C	S	.	.	H	α-helix	trans	-58.4	-38.5	178.1	178	-100	0	0	0	113.5	L406 P407 G413 A419 A420 R439 V441 F444 Q446	L406-Y417 HydrophobicContact CB-CE1 3.84Å; L406-Y417 WeakPolarHBondContact CD1-OH 3.34Å; P407-Y417 HydrophobicContact CG-CE1 4.04Å; G413-Y417 WeakPolarHBondContact O-CB 3.5Å; G413-Y417 PolarHBondContact O-N 3.33Å; Y417-A419 PolarHBondContact O-N 2.94Å; Y417-A420 PolarHBondContact O-N 3.37Å; Y417-R439 HydrophobicContact CD2-CG 4.32Å; Y417-R439 HydrophobicContact CE2-CG 4.09Å; Y417-R439 VanDerWaalsContact CZ-NH1 3.33Å; Y417-R439 PolarHBondContact OH-NH1 3.47Å; Y417-V441 HydrophobicContact CD2-CG2 4.36Å; Y417-F444 AromaticContact CD2-CD1 3.89Å; Y417-F444 HydrophobicContact CD2-CD1 3.89Å; Y417-F444 AromaticContact CD2-CE1 3.53Å; Y417-F444 HydrophobicContact CD2-CE1 3.53Å; Y417-F444 HydrophobicContact CE2-CD1 4.12Å; Y417-F444 AromaticContact CE2-CE1 3.36Å; Y417-F444 HydrophobicContact CE2-CE1 3.36Å; Y417-F444 HydrophobicContact CE2-CZ 4.25Å; Y417-F444 HydrophobicContact CG-CE1 4.34Å; Y417-Q446 HydrophobicContact CE2-CB 4.28Å; Y417-Q446 PolarHBondContact OH-NE2 3Å; Y417-Q446 PolarHBondContact OH-OE1 3.29Å
418	K	96.3	Very high	96.3	Very high	143 Å²	143	66.4 Å²	66.4	62%	0.622	37%	0.367	S	S	*	.	H	α-helix	trans	-64	-28.3	175.3	-73.2	171.5	-173.9	175.3	0	113.1	P407 A414 A415 E416	P407-K418 HydrophobicContact CB-CG 4.1Å; P407-K418 WeakPolarHBondContact O-CE 3.43Å; P407-K418 PolarHBondContact O-NZ 2.66Å; A414-K418 WeakPolarHBondContact O-CG 3.46Å; A414-K418 PolarHBondContact O-N 3.03Å; A415-K418 PolarHBondContact O-N 2.87Å; E416-K418 VanDerWaalsContact C-N 3.29Å; E416-K418 PolarHBondContact O-N 2.9Å
419	A	96.4	Very high	95.9	Very high	83 Å²	83	68.4 Å²	68.4	69%	0.686	38%	0.381	S	S	*	.	H	α-helix	trans	-98.3	-16.2	-179.9	0	0	0	0	0	113.1	E416 Y417	E416-A419 CarbonylContact O-C 3.57Å; E416-A419 WeakPolarHBondContact O-CA 3.5Å; E416-A419 PolarHBondContact O-N 3.23Å; Y417-A419 PolarHBondContact O-N 2.94Å
420	A	96.4	Very high	95.7	Very high	15 Å²	15	74.9 Å²	74.9	12%	0.124	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-64.8	124.7	-172.3	0	0	0	0	0	111.3	E416 Y417 R439 V441	E416-A420 WeakPolarHBondContact O-CB 3.3Å; E416-A420 PolarHBondContact O-N 2.78Å; Y417-A420 PolarHBondContact O-N 3.37Å; A420-R439 HydrophobicContact CB-CG 3.88Å; A420-R439 PolarHBondContact O-NE 3.18Å; A420-V441 HydrophobicContact CB-CG2 3.71Å
421	P	95	Very high	95.5	Very high	107 Å²	107	70.4 Å²	70.4	70%	0.695	39%	0.392	S	S	*	.	P	Polyproline II helix	trans	-67.6	154.4	175.6	30.5	-34.8	0	0	0	110.2
422	R	94.5	Very high	95.4	Very high	90 Å²	90	75.5 Å²	75.5	34%	0.34	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-96.9	141.5	169.1	171.4	174	-79.2	168.8	4.3	109.1	E403 Y437 V438 I448	E403-R422 IonicContact OE1-CZ 3.02Å; E403-R422 IonicContact OE1-NH1 3.19Å; E403-R422 IonicContact OE1-NH2 3.5Å; E403-R422 PolarHBondContact OE1-NH2 3.28Å; R422-Y437 VanDerWaalsContact CD-CB 3.47Å; R422-V438 WeakPolarHBondContact CA-O 3.22Å; R422-I448 VanDerWaalsContact NH1-CD1 3.28Å
423	F	95.4	Very high	95.3	Very high	73 Å²	73	75.3 Å²	75.3	32%	0.32	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	163	171.7	60.7	-85.5	0	0	0	110.3	Y437 V438 W477	F423-Y437 CarbonylContact O-C 3.58Å; F423-Y437 VanDerWaalsContact O-CA 3.25Å; F423-Y437 WeakPolarHBondContact O-CA 3.14Å; F423-V438 HydrophobicContact CD1-CB 4.41Å; F423-V438 WeakPolarHBondContact CD1-O 3.17Å; F423-V438 HydrophobicContact CD2-CB 4.29Å; F423-V438 HydrophobicContact CE1-CB 3.85Å; F423-V438 HydrophobicContact CE1-CG1 4.09Å; F423-V438 HydrophobicContact CE2-CB 3.73Å; F423-V438 HydrophobicContact CE2-CG1 4.39Å; F423-V438 HydrophobicContact CE2-CG2 3.89Å; F423-V438 HydrophobicContact CZ-CB 3.49Å; F423-V438 VanDerWaalsContact CZ-CB 3.49Å; F423-V438 HydrophobicContact CZ-CG1 3.73Å; F423-V438 HydrophobicContact CZ-CG2 4.08Å; F423-V438 PolarHBondContact N-O 3.17Å; F423-V438 PolarHBondContact O-N 3.14Å; F423-W477 HydrophobicContact CE2-CB 3.53Å; F423-W477 HydrophobicContact CZ-CB 3.68Å; F423-W477 HydrophobicContact CZ-CG 4.44Å
424	H	95.5	Very high	95.2	Very high	110 Å²	110	76.5 Å²	76.5	51%	0.509	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	149.4	175.5	61.8	-87.7	0	0	0	109.7	V434 G436 Y437	H424-V434 HydrophobicContact CB-CG1 3.83Å; H424-V434 HydrophobicContact CB-CG2 4.17Å; H424-G436 CarbonylContact C-O 3.59Å; H424-G436 WeakPolarHBondContact CA-O 3.41Å; H424-Y437 HydrophobicContact CB-CD1 4.12Å; H424-Y437 HydrophobicContact CB-CE1 4.4Å
425	W	95.4	Very high	95.2	Very high	2 Å²	2	75.8 Å²	75.8	1%	0.008	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	155.9	170.5	90.7	84.7	0	0	0	110.9	A435 G436 Y437 V438 V447 I448 I449 W477	W425-A435 HydrophobicContact CD2-CB 4.49Å; W425-A435 HydrophobicContact CG-CB 4.39Å; W425-A435 HydrophobicContact CZ2-CB 4.36Å; W425-A435 PolarHBondContact O-N 2.91Å; W425-G436 VanDerWaalsContact CZ3-CA 3.46Å; W425-G436 PolarHBondContact N-O 2.97Å; W425-G436 PolarHBondContact O-N 3.07Å; W425-Y437 WeakPolarHBondContact CZ3-O 3.07Å; W425-V438 HydrophobicContact CB-CG2 4.21Å; W425-V438 HydrophobicContact CD2-CG2 4.02Å; W425-V438 HydrophobicContact CE3-CB 4.48Å; W425-V438 HydrophobicContact CE3-CG2 3.23Å; W425-V438 HydrophobicContact CG-CG2 4.44Å; W425-V438 HydrophobicContact CZ3-CG2 3.87Å; W425-V447 HydrophobicContact CE3-CG1 4.49Å; W425-V447 HydrophobicContact CH2-CB 4.43Å; W425-V447 HydrophobicContact CH2-CG1 3.11Å; W425-V447 HydrophobicContact CZ2-CG1 4.12Å; W425-V447 HydrophobicContact CZ3-CB 4.26Å; W425-V447 HydrophobicContact CZ3-CG1 3.31Å; W425-V447 HydrophobicContact CZ3-CG2 4.47Å; W425-I448 WeakPolarHBondContact CH2-O 3.4Å; W425-I448 WeakPolarHBondContact CZ3-O 3.34Å; W425-I449 HydrophobicContact CH2-CB 4.45Å; W425-I449 HydrophobicContact CH2-CD1 4.43Å; W425-I449 HydrophobicContact CH2-CG1 3.52Å; W425-I449 HydrophobicContact CZ2-CD1 4.38Å; W425-I449 HydrophobicContact CZ2-CG1 3.77Å; W425-W477 HydrophobicContact CD2-CE3 4.2Å; W425-W477 HydrophobicContact CD2-CZ3 4.26Å; W425-W477 HydrophobicContact CE3-CE3 4.37Å; W425-W477 HydrophobicContact CE3-CZ3 4.39Å; W425-W477 HydrophobicContact CG-CE3 4.32Å
426	K	95.5	Very high	95.2	Very high	59 Å²	59	72 Å²	72	26%	0.257	38%	0.382	S	S	.	.			trans	-128.6	157.2	175.1	-62.5	176	174.4	-173.4	0	108.8	Q428 D431	K426-Q428 WeakPolarHBondContact CB-O 3.42Å; K426-D431 HydrophobicContact CB-CB 4.25Å; K426-D431 HydrophobicContact CD-CB 4.32Å; K426-D431 VanDerWaalsContact CD-O 3.27Å; K426-D431 WeakPolarHBondContact CD-O 3.48Å; K426-D431 WeakPolarHBondContact CE-O 3.23Å; K426-D431 PolarHBondContact NZ-O 3.46Å
427	L	93.4	Very high	95.2	Very high	39 Å²	39	70.1 Å²	70.1	20%	0.204	37%	0.37	C	S	.	.	S	Bend	trans	-70	-45.8	177.2	-56.7	-178.4	0	0	0	109.6	D431 A435 A462 R463 D466 R470	L427-D431 WeakPolarHBondContact CB-OD2 3.07Å; L427-D431 PolarHBondContact N-OD2 2.69Å; L427-A435 HydrophobicContact CD2-CB 4.01Å; L427-A435 HydrophobicContact CG-CB 4.15Å; L427-A462 HydrophobicContact CD1-CB 4.19Å; L427-R463 HydrophobicContact CD1-CG 4.25Å; L427-R463 HydrophobicContact CD2-CB 4.46Å; L427-R463 HydrophobicContact CD2-CG 4.22Å; L427-D466 HydrophobicContact CD2-CB 3.48Å; L427-D466 VanDerWaalsContact CD2-CB 3.48Å; L427-R470 PolarHBondContact O-NH2 2.87Å
428	Q	92.2	Very high	95.2	Very high	109 Å²	109	70 Å²	70	51%	0.509	37%	0.37	S	S	.	.	S	Bend	trans	-116.7	145	168.7	-56.5	-57.6	-40.6	0	0	110.8	K426 D430 D431	K426-Q428 WeakPolarHBondContact CB-O 3.42Å; Q428-D430 VanDerWaalsContact CB-OD1 3.31Å; Q428-D430 WeakPolarHBondContact CB-OD1 3.37Å; Q428-D430 PolarHBondContact O-N 3.49Å; Q428-D430 VanDerWaalsContact O-N 3.17Å; Q428-D431 PolarHBondContact N-OD2 3.17Å; Q428-D431 WeakPolarHBondContact O-CB 3.44Å; Q428-D431 PolarHBondContact O-N 2.9Å
429	P	89.7	Confident	95.2	Very high	107 Å²	107	65.2 Å²	65.2	70%	0.695	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-32.7	-178.3	-27.2	35.5	0	0	0	114.3
430	D	93.2	Very high	95.2	Very high	137 Å²	137	65 Å²	65	73%	0.733	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.2	-179.1	63.4	-33.4	0	0	0	114.1	Q428 T432	Q428-D430 VanDerWaalsContact CB-OD1 3.31Å; Q428-D430 WeakPolarHBondContact CB-OD1 3.37Å; Q428-D430 PolarHBondContact O-N 3.49Å; Q428-D430 VanDerWaalsContact O-N 3.17Å; D430-T432 PolarHBondContact O-N 3.27Å
431	D	94.4	Very high	95.2	Very high	56 Å²	56	64.6 Å²	64.6	30%	0.299	33%	0.328	S	S	.	.			trans	-56.4	138	175.1	-75.8	-24.7	0	0	0	110.4	K426 L427 Q428 E433	K426-D431 HydrophobicContact CB-CB 4.25Å; K426-D431 HydrophobicContact CD-CB 4.32Å; K426-D431 VanDerWaalsContact CD-O 3.27Å; K426-D431 WeakPolarHBondContact CD-O 3.48Å; K426-D431 WeakPolarHBondContact CE-O 3.23Å; K426-D431 PolarHBondContact NZ-O 3.46Å; L427-D431 WeakPolarHBondContact CB-OD2 3.07Å; L427-D431 PolarHBondContact N-OD2 2.69Å; Q428-D431 PolarHBondContact N-OD2 3.17Å; Q428-D431 WeakPolarHBondContact O-CB 3.44Å; Q428-D431 PolarHBondContact O-N 2.9Å; D431-E433 VanDerWaalsContact C-N 3.34Å
432	T	94.5	Very high	95.1	Very high	129 Å²	129	61.8 Å²	61.8	79%	0.791	32%	0.319	S	S	*	.	S	Bend	trans	-73.9	-32.4	172.4	55.9	0	0	0	0	111.4	D430	D430-T432 PolarHBondContact O-N 3.27Å
433	E	96	Very high	95.2	Very high	97 Å²	97	62.7 Å²	62.7	45%	0.453	33%	0.327	S	S	.	.	S	Bend	trans	-88.4	130.7	-176	-68.4	-62.6	121.1	0	0	112	D431 R450	D431-E433 VanDerWaalsContact C-N 3.34Å; E433-R450 IonicContact OE2-CZ 3.21Å; E433-R450 IonicContact OE2-NH1 2.68Å; E433-R450 PolarHBondContact OE2-NH1 3.04Å; E433-R450 IonicContact OE2-NH2 2.81Å; E433-R450 PolarHBondContact OE2-NH2 2.94Å
434	V	96.6	Very high	95.3	Very high	32 Å²	32	59.4 Å²	59.4	19%	0.194	31%	0.313	C	S	.	.			trans	-73.7	130.8	167.7	171.2	0	0	0	0	109.4	H424 G436 Y437 R450	H424-V434 HydrophobicContact CB-CG1 3.83Å; H424-V434 HydrophobicContact CB-CG2 4.17Å; V434-G436 VanDerWaalsContact CG1-O 3.22Å; V434-G436 WeakPolarHBondContact CG1-O 3.31Å; V434-Y437 HydrophobicContact CG1-CE1 4.31Å; V434-R450 PolarHBondContact O-NH1 2.89Å
435	A	97	Very high	95.4	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.008	29%	0.289	C	S	.	.			trans	-81.8	-34.1	176.3	0	0	0	0	0	111.8	W425 L427 R450 R463	W425-A435 HydrophobicContact CD2-CB 4.49Å; W425-A435 HydrophobicContact CG-CB 4.39Å; W425-A435 HydrophobicContact CZ2-CB 4.36Å; W425-A435 PolarHBondContact O-N 2.91Å; L427-A435 HydrophobicContact CD2-CB 4.01Å; L427-A435 HydrophobicContact CG-CB 4.15Å; A435-R450 WeakPolarHBondContact O-CB 3.24Å; A435-R450 PolarHBondContact O-N 3.48Å; A435-R463 HydrophobicContact CB-CG 3.99Å
436	G	97.1	Very high	95.5	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	177.2	-162.5	174.9	0	0	0	0	0	113.9	H424 W425 V434 I448	H424-G436 CarbonylContact C-O 3.59Å; H424-G436 WeakPolarHBondContact CA-O 3.41Å; W425-G436 VanDerWaalsContact CZ3-CA 3.46Å; W425-G436 PolarHBondContact N-O 2.97Å; W425-G436 PolarHBondContact O-N 3.07Å; V434-G436 VanDerWaalsContact CG1-O 3.22Å; V434-G436 WeakPolarHBondContact CG1-O 3.31Å; G436-I448 CarbonylContact C-O 3.51Å; G436-I448 WeakPolarHBondContact CA-O 3.45Å
437	Y	97.6	Very high	95.6	Very high	81 Å²	81	51.5 Å²	51.5	32%	0.318	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	134.1	-179.7	-44.2	-83	0	0	0	112.8	R422 F423 H424 W425 V434 V447 I448	R422-Y437 VanDerWaalsContact CD-CB 3.47Å; F423-Y437 CarbonylContact O-C 3.58Å; F423-Y437 VanDerWaalsContact O-CA 3.25Å; F423-Y437 WeakPolarHBondContact O-CA 3.14Å; H424-Y437 HydrophobicContact CB-CD1 4.12Å; H424-Y437 HydrophobicContact CB-CE1 4.4Å; W425-Y437 WeakPolarHBondContact CZ3-O 3.07Å; V434-Y437 HydrophobicContact CG1-CE1 4.31Å; Y437-V447 WeakPolarHBondContact O-CA 3.48Å; Y437-I448 HydrophobicContact CD2-CB 4.27Å; Y437-I448 HydrophobicContact CD2-CG2 4.38Å; Y437-I448 PolarHBondContact N-O 3.29Å; Y437-I448 PolarHBondContact O-N 2.89Å
438	V	97.3	Very high	95.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	140.5	-179.5	-166.9	0	0	0	0	110.3	R422 F423 W425 Q446 V447 W477	R422-V438 WeakPolarHBondContact CA-O 3.22Å; F423-V438 HydrophobicContact CD1-CB 4.41Å; F423-V438 WeakPolarHBondContact CD1-O 3.17Å; F423-V438 HydrophobicContact CD2-CB 4.29Å; F423-V438 HydrophobicContact CE1-CB 3.85Å; F423-V438 HydrophobicContact CE1-CG1 4.09Å; F423-V438 HydrophobicContact CE2-CB 3.73Å; F423-V438 HydrophobicContact CE2-CG1 4.39Å; F423-V438 HydrophobicContact CE2-CG2 3.89Å; F423-V438 HydrophobicContact CZ-CB 3.49Å; F423-V438 VanDerWaalsContact CZ-CB 3.49Å; F423-V438 HydrophobicContact CZ-CG1 3.73Å; F423-V438 HydrophobicContact CZ-CG2 4.08Å; F423-V438 PolarHBondContact N-O 3.17Å; F423-V438 PolarHBondContact O-N 3.14Å; W425-V438 HydrophobicContact CB-CG2 4.21Å; W425-V438 HydrophobicContact CD2-CG2 4.02Å; W425-V438 HydrophobicContact CE3-CB 4.48Å; W425-V438 HydrophobicContact CE3-CG2 3.23Å; W425-V438 HydrophobicContact CG-CG2 4.44Å; W425-V438 HydrophobicContact CZ3-CG2 3.87Å; V438-Q446 CarbonylContact C-O 3.47Å; V438-Q446 WeakPolarHBondContact CA-O 3.28Å; V438-V447 HydrophobicContact CG1-CG2 4.15Å; V438-V447 HydrophobicContact CG2-CG2 4.38Å; V438-W477 HydrophobicContact CG1-CD2 4.14Å; V438-W477 HydrophobicContact CG1-CG 4.12Å; V438-W477 HydrophobicContact CG2-CB 4.06Å; V438-W477 HydrophobicContact CG2-CD2 3.77Å; V438-W477 HydrophobicContact CG2-CE3 3.46Å; V438-W477 VanDerWaalsContact CG2-CE3 3.46Å; V438-W477 HydrophobicContact CG2-CG 4.05Å; V438-W477 HydrophobicContact CG2-CZ3 4.16Å
439	R	96.8	Very high	96.1	Very high	42 Å²	42	45.3 Å²	45.3	16%	0.158	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	129.6	159.2	-178.1	-169.5	-74.9	147.2	-4.1	107.2	E403 Y417 A420 Q446	E403-R439 IonicContact OE1-CZ 3.17Å; E403-R439 IonicContact OE1-NH1 3.93Å; E403-R439 PolarHBondContact OE1-NH1 2.83Å; E403-R439 IonicContact OE1-NH2 3.86Å; E403-R439 IonicContact OE2-CZ 4Å; E403-R439 IonicContact OE2-NH1 3.36Å; E403-R439 PolarHBondContact OE2-NH1 2.94Å; E403-R439 IonicContact OE2-NH2 3.97Å; Y417-R439 HydrophobicContact CD2-CG 4.32Å; Y417-R439 HydrophobicContact CE2-CG 4.09Å; Y417-R439 VanDerWaalsContact CZ-NH1 3.33Å; Y417-R439 PolarHBondContact OH-NH1 3.47Å; A420-R439 HydrophobicContact CB-CG 3.88Å; A420-R439 PolarHBondContact O-NE 3.18Å; R439-Q446 HydrophobicContact CB-CB 4.37Å; R439-Q446 PolarHBondContact N-O 3.32Å; R439-Q446 PolarHBondContact O-N 3.44Å
440	Q	95.6	Very high	96.5	Very high	80 Å²	80	43.8 Å²	43.8	37%	0.374	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	138.5	-177.9	-178.6	-176.5	-9.1	0	0	110.5	G442 F444 F445	Q440-G442 PolarHBondContact NE2-O 3.35Å; Q440-F444 WeakPolarHBondContact CA-O 3.47Å; Q440-F445 HydrophobicContact CB-CD1 4.19Å; Q440-F445 HydrophobicContact CB-CE1 4.41Å; Q440-F445 HydrophobicContact CG-CD1 3.79Å; Q440-F445 HydrophobicContact CG-CE1 3.61Å; Q440-F445 HydrophobicContact CG-CZ 4.16Å; Q440-F445 VanDerWaalsContact NE2-CE1 3.33Å
441	V	96.3	Very high	96.7	Very high	5 Å²	5	38.3 Å²	38.3	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	110.9	168.5	171.8	0	0	0	0	108.2	W411 E416 Y417 A420 E443 F444	W411-V441 HydrophobicContact CH2-CB 3.92Å; W411-V441 HydrophobicContact CH2-CG1 3.6Å; W411-V441 HydrophobicContact CZ2-CB 4.49Å; W411-V441 HydrophobicContact CZ2-CG1 4.32Å; W411-V441 HydrophobicContact CZ3-CG1 4.38Å; E416-V441 HydrophobicContact CB-CG1 3.96Å; E416-V441 HydrophobicContact CB-CG2 4.41Å; E416-V441 HydrophobicContact CG-CG1 3.91Å; E416-V441 HydrophobicContact CG-CG2 4.01Å; Y417-V441 HydrophobicContact CD2-CG2 4.36Å; A420-V441 HydrophobicContact CB-CG2 3.71Å; V441-E443 PolarHBondContact O-N 2.86Å; V441-F444 PolarHBondContact N-O 3.17Å; V441-F444 WeakPolarHBondContact O-CB 3.26Å; V441-F444 PolarHBondContact O-N 2.99Å
442	G	94	Very high	96.8	Very high	49 Å²	49	35.6 Å²	35.6	51%	0.505	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-121.5	-172	0	0	0	0	0	111.8	Q440	Q440-G442 PolarHBondContact NE2-O 3.35Å
443	E	95.3	Very high	97	Very high	109 Å²	109	29.5 Å²	29.5	51%	0.509	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	9.1	179.2	-65.6	-58.2	144.1	0	0	113.8	R385 V386 V441 F445	R385-E443 WeakPolarHBondContact CA-O 3.06Å; R385-E443 HydrophobicContact CB-CB 4.39Å; R385-E443 WeakPolarHBondContact CD-OE2 3.49Å; R385-E443 HydrophobicContact CG-CB 4.13Å; R385-E443 WeakPolarHBondContact CG-O 3.04Å; R385-E443 VanDerWaalsContact CG-OE2 3.27Å; R385-E443 WeakPolarHBondContact CG-OE2 3.36Å; R385-E443 IonicContact NE-OE2 3.54Å; R385-E443 PolarHBondContact NE-OE2 3.24Å; R385-E443 VanDerWaalsContact NE-OE2 3.17Å; V386-E443 PolarHBondContact N-O 2.88Å; V441-E443 PolarHBondContact O-N 2.86Å; E443-F445 WeakPolarHBondContact O-CD2 3.38Å; E443-F445 WeakPolarHBondContact O-CE2 3.38Å
444	F	97.6	Very high	97.1	Very high	3 Å²	3	25 Å²	25	1%	0.013	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.6	172.3	175.4	-124.9	0	0	0	111.6	M381 V386 I388 L406 W411 Y417 Q440 V441 Q446	M381-F444 HydrophobicContact CE-CB 4.33Å; M381-F444 HydrophobicContact CE-CD1 3.58Å; M381-F444 HydrophobicContact CE-CD2 3.64Å; M381-F444 HydrophobicContact CE-CE1 3.63Å; M381-F444 HydrophobicContact CE-CE2 3.73Å; M381-F444 HydrophobicContact CE-CG 3.57Å; M381-F444 HydrophobicContact CE-CZ 3.74Å; V386-F444 HydrophobicContact CB-CD2 3.97Å; V386-F444 HydrophobicContact CG1-CD2 3.96Å; V386-F444 HydrophobicContact CG1-CE2 4.14Å; V386-F444 CarbonylContact O-C 3.58Å; V386-F444 WeakPolarHBondContact O-CA 3.44Å; V386-F444 WeakPolarHBondContact O-CD2 3.36Å; I388-F444 HydrophobicContact CB-CE2 4.31Å; I388-F444 HydrophobicContact CG1-CE2 3.74Å; I388-F444 HydrophobicContact CG1-CZ 4.29Å; L406-F444 HydrophobicContact CD1-CZ 4.19Å; L406-F444 HydrophobicContact CD2-CZ 3.97Å; W411-F444 HydrophobicContact CH2-CB 3.73Å; W411-F444 AromaticContact CH2-CD1 3.92Å; W411-F444 HydrophobicContact CH2-CD1 3.92Å; W411-F444 HydrophobicContact CH2-CG 4.17Å; W411-F444 HydrophobicContact CZ2-CB 4.38Å; W411-F444 AromaticContact CZ2-CD1 3.73Å; W411-F444 HydrophobicContact CZ2-CD1 3.73Å; W411-F444 HydrophobicContact CZ2-CE1 4.43Å; W411-F444 HydrophobicContact CZ2-CG 4.33Å; W411-F444 HydrophobicContact CZ3-CB 4.22Å; Y417-F444 AromaticContact CD2-CD1 3.89Å; Y417-F444 HydrophobicContact CD2-CD1 3.89Å; Y417-F444 AromaticContact CD2-CE1 3.53Å; Y417-F444 HydrophobicContact CD2-CE1 3.53Å; Y417-F444 HydrophobicContact CE2-CD1 4.12Å; Y417-F444 AromaticContact CE2-CE1 3.36Å; Y417-F444 HydrophobicContact CE2-CE1 3.36Å; Y417-F444 HydrophobicContact CE2-CZ 4.25Å; Y417-F444 HydrophobicContact CG-CE1 4.34Å; Q440-F444 WeakPolarHBondContact CA-O 3.47Å; V441-F444 PolarHBondContact N-O 3.17Å; V441-F444 WeakPolarHBondContact O-CB 3.26Å; V441-F444 PolarHBondContact O-N 2.99Å; F444-Q446 HydrophobicContact CZ-CB 4.32Å
445	F	97.3	Very high	97.1	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.018	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	125.9	-178.5	-56.7	-96.5	0	0	0	109.5	R385 V386 L387 I388 Q440 E443 F471 W477	R385-F445 HydrophobicContact CG-CD2 4.41Å; R385-F445 HydrophobicContact CG-CE2 3.87Å; R385-F445 VanDerWaalsContact NE-CE2 3.34Å; V386-F445 PolarHBondContact O-N 3.39Å; L387-F445 WeakPolarHBondContact CA-O 3.49Å; L387-F445 HydrophobicContact CD1-CB 3.75Å; I388-F445 PolarHBondContact N-O 3.15Å; Q440-F445 HydrophobicContact CB-CD1 4.19Å; Q440-F445 HydrophobicContact CB-CE1 4.41Å; Q440-F445 HydrophobicContact CG-CD1 3.79Å; Q440-F445 HydrophobicContact CG-CE1 3.61Å; Q440-F445 HydrophobicContact CG-CZ 4.16Å; Q440-F445 VanDerWaalsContact NE2-CE1 3.33Å; E443-F445 WeakPolarHBondContact O-CD2 3.38Å; E443-F445 WeakPolarHBondContact O-CE2 3.38Å; F445-F471 HydrophobicContact CD2-CD2 4.05Å; F445-F471 HydrophobicContact CD2-CE2 4.14Å; F445-F471 HydrophobicContact CE2-CD2 4.49Å; F445-W477 AromaticContact CD1-CD1 3.88Å; F445-W477 AromaticContact CD1-CE2 3.99Å; F445-W477 HydrophobicContact CD1-CZ2 4.41Å; F445-W477 AromaticContact CD1-NE1 3.17Å; F445-W477 AromaticContact CE1-CD1 3.76Å; F445-W477 AromaticContact CE1-NE1 3.27Å; F445-W477 VanDerWaalsContact CE1-NE1 3.27Å
446	Q	98	Very high	97.1	Very high	2 Å²	2	23.5 Å²	23.5	1%	0.009	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	125.8	167.1	-171.3	-153.2	18.8	0	0	108.9	I388 E403 L406 Y417 V438 R439 F444	I388-Q446 CarbonylContact O-C 3.52Å; I388-Q446 VanDerWaalsContact O-CA 3.3Å; I388-Q446 WeakPolarHBondContact O-CA 3.26Å; E403-Q446 PolarHBondContact OE1-NE2 3.4Å; E403-Q446 PolarHBondContact OE1-OE1 2.97Å; L406-Q446 HydrophobicContact CD1-CG 3.92Å; Y417-Q446 HydrophobicContact CE2-CB 4.28Å; Y417-Q446 PolarHBondContact OH-NE2 3Å; Y417-Q446 PolarHBondContact OH-OE1 3.29Å; V438-Q446 CarbonylContact C-O 3.47Å; V438-Q446 WeakPolarHBondContact CA-O 3.28Å; R439-Q446 HydrophobicContact CB-CB 4.37Å; R439-Q446 PolarHBondContact N-O 3.32Å; R439-Q446 PolarHBondContact O-N 3.44Å; F444-Q446 HydrophobicContact CZ-CB 4.32Å
447	V	98.2	Very high	97.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	130.7	-170.3	166	0	0	0	0	110.4	L387 I388 Y389 S390 W425 Y437 V438 I449 M467 W477	L387-V447 HydrophobicContact CD1-CB 3.91Å; L387-V447 HydrophobicContact CD1-CG2 3.54Å; I388-V447 PolarHBondContact O-N 2.75Å; Y389-V447 CarbonylContact C-O 3.58Å; Y389-V447 WeakPolarHBondContact CA-O 3.36Å; S390-V447 PolarHBondContact N-O 2.75Å; W425-V447 HydrophobicContact CE3-CG1 4.49Å; W425-V447 HydrophobicContact CH2-CB 4.43Å; W425-V447 HydrophobicContact CH2-CG1 3.11Å; W425-V447 HydrophobicContact CZ2-CG1 4.12Å; W425-V447 HydrophobicContact CZ3-CB 4.26Å; W425-V447 HydrophobicContact CZ3-CG1 3.31Å; W425-V447 HydrophobicContact CZ3-CG2 4.47Å; Y437-V447 WeakPolarHBondContact O-CA 3.48Å; V438-V447 HydrophobicContact CG1-CG2 4.15Å; V438-V447 HydrophobicContact CG2-CG2 4.38Å; V447-I449 HydrophobicContact CG1-CG1 4.12Å; V447-M467 HydrophobicContact CB-SD 4.37Å; V447-M467 HydrophobicContact CG1-CG 3.8Å; V447-M467 HydrophobicContact CG1-SD 3.63Å; V447-W477 HydrophobicContact CG2-CH2 3.71Å; V447-W477 HydrophobicContact CG2-CZ2 4.05Å; V447-W477 HydrophobicContact CG2-CZ3 4.04Å
448	I	98.3	Very high	97.1	Very high	17 Å²	17	22.6 Å²	22.6	9%	0.087	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	120.5	169.9	-58.7	178.5	0	0	0	108.8	S390 Q392 A399 R422 W425 G436 Y437	S390-I448 WeakPolarHBondContact O-CA 3.45Å; Q392-I448 HydrophobicContact CB-CG2 4.17Å; A399-I448 HydrophobicContact CB-CD1 4.12Å; A399-I448 HydrophobicContact CB-CG1 4.29Å; R422-I448 VanDerWaalsContact NH1-CD1 3.28Å; W425-I448 WeakPolarHBondContact CH2-O 3.4Å; W425-I448 WeakPolarHBondContact CZ3-O 3.34Å; G436-I448 CarbonylContact C-O 3.51Å; G436-I448 WeakPolarHBondContact CA-O 3.45Å; Y437-I448 HydrophobicContact CD2-CB 4.27Å; Y437-I448 HydrophobicContact CD2-CG2 4.38Å; Y437-I448 PolarHBondContact N-O 3.29Å; Y437-I448 PolarHBondContact O-N 2.89Å
449	I	98.3	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	118.8	177.7	-67.2	-177.2	0	0	0	109.6	S390 Q392 W425 V447 G451 G452 L456 Q460 R463 M467	S390-I449 PolarHBondContact O-N 3.3Å; Q392-I449 WeakPolarHBondContact CB-O 3.05Å; Q392-I449 PolarHBondContact N-O 3.46Å; Q392-I449 VanDerWaalsContact N-O 3.11Å; W425-I449 HydrophobicContact CH2-CB 4.45Å; W425-I449 HydrophobicContact CH2-CD1 4.43Å; W425-I449 HydrophobicContact CH2-CG1 3.52Å; W425-I449 HydrophobicContact CZ2-CD1 4.38Å; W425-I449 HydrophobicContact CZ2-CG1 3.77Å; V447-I449 HydrophobicContact CG1-CG1 4.12Å; I449-G451 PolarHBondContact O-N 3.44Å; I449-G452 PolarHBondContact O-N 3.1Å; I449-L456 HydrophobicContact CB-CD1 3.71Å; I449-L456 HydrophobicContact CB-CD2 4.39Å; I449-L456 HydrophobicContact CB-CG 4.22Å; I449-L456 HydrophobicContact CD1-CD1 3.83Å; I449-L456 HydrophobicContact CD1-CD2 3.31Å; I449-L456 HydrophobicContact CD1-CG 4.06Å; I449-L456 HydrophobicContact CG1-CD1 4.01Å; I449-L456 HydrophobicContact CG1-CD2 4.3Å; I449-L456 HydrophobicContact CG2-CD1 4.41Å; I449-L456 HydrophobicContact CG2-CD2 4.44Å; I449-L456 HydrophobicContact CG2-CG 4.4Å; I449-Q460 HydrophobicContact CG2-CB 3.86Å; I449-Q460 HydrophobicContact CG2-CG 4.02Å; I449-R463 HydrophobicContact CG2-CB 4.01Å; I449-M467 HydrophobicContact CD1-CB 4.06Å; I449-M467 HydrophobicContact CD1-CE 4.22Å; I449-M467 HydrophobicContact CD1-CG 4.2Å; I449-M467 HydrophobicContact CD1-SD 3.43Å; I449-M467 WeakPolarHBondContact CD1-SD 3.35Å; I449-M467 HydrophobicContact CG1-SD 4.25Å
450	R	97.8	Very high	97.1	Very high	76 Å²	76	24.8 Å²	24.8	29%	0.287	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	134.3	179.9	175.3	167.5	162.9	-102.8	-0.8	109.7	E433 V434 A435 G452 R463	E433-R450 IonicContact OE2-CZ 3.21Å; E433-R450 IonicContact OE2-NH1 2.68Å; E433-R450 PolarHBondContact OE2-NH1 3.04Å; E433-R450 IonicContact OE2-NH2 2.81Å; E433-R450 PolarHBondContact OE2-NH2 2.94Å; V434-R450 PolarHBondContact O-NH1 2.89Å; A435-R450 WeakPolarHBondContact O-CB 3.24Å; A435-R450 PolarHBondContact O-N 3.48Å; R450-G452 PolarHBondContact O-N 2.93Å; R450-R463 PolarHBondContact O-NH1 2.88Å
451	G	96.9	Very high	97.2	Very high	21 Å²	21	23.2 Å²	23.2	22%	0.216	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	6.4	177.5	0	0	0	0	0	115.9	I449 Q460	I449-G451 PolarHBondContact O-N 3.44Å; G451-Q460 PolarHBondContact O-NE2 2.97Å
452	G	97.6	Very high	97.3	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.136	C	C	.	.			trans	-92.9	141.1	169.1	0	0	0	0	0	110.8	G391 Q392 L393 I449 R450	G391-G452 CarbonylContact C-O 3.54Å; G391-G452 WeakPolarHBondContact CA-O 3.11Å; Q392-G452 PolarHBondContact N-O 3.36Å; L393-G452 WeakPolarHBondContact CB-O 3.43Å; L393-G452 PolarHBondContact N-O 3.35Å; I449-G452 PolarHBondContact O-N 3.1Å; R450-G452 PolarHBondContact O-N 2.93Å
453	G	98.1	Very high	97.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.118	C	C	.	.			trans	-90.9	-154.6	163.6	0	0	0	0	0	111.5	F321 G391 D459	F321-G453 CarbonylContact O-C 3.54Å; F321-G453 VanDerWaalsContact O-CA 3.23Å; F321-G453 WeakPolarHBondContact O-CA 3.47Å; G391-G453 WeakPolarHBondContact CA-O 2.99Å; G453-D459 VanDerWaalsContact CA-OD2 3.24Å; G453-D459 WeakPolarHBondContact CA-OD2 3.25Å; G453-D459 PolarHBondContact N-OD2 3.11Å
454	H	98.1	Very high	97.5	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.009	9%	0.094	C	C	.	.	S	Bend	trans	-62.2	-45.3	-179.3	-161.3	69.9	0	0	0	111.9	S210 D243 F321 D394 I396 L456	S210-H454 WeakPolarHBondContact CB-NE2 3.37Å; S210-H454 PolarHBondContact OG-NE2 2.81Å; D243-H454 WeakPolarHBondContact CB-ND1 3.49Å; D243-H454 PolarHBondContact O-CE1 3.23Å; F321-H454 HydrophobicContact CB-CB 3.72Å; F321-H454 HydrophobicContact CD1-CB 3.5Å; F321-H454 VanDerWaalsContact CD1-CB 3.5Å; F321-H454 AromaticContact CD1-CD2 3.35Å; F321-H454 WeakPolarHBondContact CD1-CD2 3.09Å; F321-H454 AromaticContact CD1-CG 3.53Å; F321-H454 HydrophobicContact CE1-CB 4.48Å; F321-H454 AromaticContact CE1-CD2 3.47Å; F321-H454 VanDerWaalsContact CE1-CD2 3.47Å; F321-H454 WeakPolarHBondContact CE1-CD2 3.32Å; F321-H454 HydrophobicContact CG-CB 4.02Å; F321-H454 PolarHBondContact O-N 3.33Å; D394-H454 HydrophobicContact CB-CB 4.28Å; D394-H454 VanDerWaalsContact CG-ND1 3.29Å; D394-H454 WeakPolarHBondContact OD1-CB 3.19Å; D394-H454 IonicContact OD1-CG 2.94Å; D394-H454 IonicContact OD1-ND1 2.68Å; D394-H454 PolarHBondContact OD1-ND1 3.42Å; D394-H454 IonicContact OD2-CE1 3.6Å; D394-H454 IonicContact OD2-CG 2.86Å; D394-H454 IonicContact OD2-ND1 3.61Å; D394-H454 PolarHBondContact OD2-ND1 3.26Å; I396-H454 HydrophobicContact CG2-CB 4.36Å; I396-H454 VanDerWaalsContact CG2-CE1 3.46Å; I396-H454 WeakPolarHBondContact CG2-CE1 3.48Å; I396-H454 VanDerWaalsContact CG2-ND1 3.31Å; I396-H454 WeakPolarHBondContact CG2-ND1 3.43Å; H454-L456 PolarHBondContact O-N 3.44Å
455	I	97.2	Very high	97.5	Very high	3 Å²	3	19.8 Å²	19.8	2%	0.015	10%	0.1	C	C	.	.	S	Bend	trans	-83.9	64.6	178.7	-44.8	-52.3	0	0	0	108.4	F123 V127 E128 E209 Y458 D459	F123-I455 HydrophobicContact CE1-CD1 3.92Å; F123-I455 HydrophobicContact CE1-CG1 4.32Å; F123-I455 HydrophobicContact CE1-CG2 3.7Å; F123-I455 HydrophobicContact CZ-CD1 4.21Å; F123-I455 HydrophobicContact CZ-CG1 4.31Å; F123-I455 HydrophobicContact CZ-CG2 4.13Å; V127-I455 HydrophobicContact CG1-CG2 4.46Å; E128-I455 HydrophobicContact CG-CG2 3.6Å; E209-I455 WeakPolarHBondContact OE1-CD1 3.42Å; I455-Y458 HydrophobicContact CG2-CG 4.42Å; I455-Y458 WeakPolarHBondContact O-CB 3.49Å; I455-Y458 PolarHBondContact O-N 3.18Å; I455-D459 PolarHBondContact O-N 3.03Å; I455-D459 VanDerWaalsContact O-N 3.1Å
456	L	95.7	Very high	97.5	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-42.6	-161.3	-178.1	154.4	0	0	0	113.6	Y389 I449 H454 Y458 D459 Q460	Y389-L456 HydrophobicContact CD2-CD1 3.74Å; Y389-L456 HydrophobicContact CD2-CD2 4.38Å; Y389-L456 HydrophobicContact CE2-CB 4.46Å; Y389-L456 HydrophobicContact CE2-CD1 4.13Å; Y389-L456 HydrophobicContact CE2-CD2 4.26Å; I449-L456 HydrophobicContact CB-CD1 3.71Å; I449-L456 HydrophobicContact CB-CD2 4.39Å; I449-L456 HydrophobicContact CB-CG 4.22Å; I449-L456 HydrophobicContact CD1-CD1 3.83Å; I449-L456 HydrophobicContact CD1-CD2 3.31Å; I449-L456 HydrophobicContact CD1-CG 4.06Å; I449-L456 HydrophobicContact CG1-CD1 4.01Å; I449-L456 HydrophobicContact CG1-CD2 4.3Å; I449-L456 HydrophobicContact CG2-CD1 4.41Å; I449-L456 HydrophobicContact CG2-CD2 4.44Å; I449-L456 HydrophobicContact CG2-CG 4.4Å; H454-L456 PolarHBondContact O-N 3.44Å; L456-Y458 PolarHBondContact O-N 3.08Å; L456-D459 PolarHBondContact O-N 3.21Å; L456-Q460 PolarHBondContact O-N 3.17Å
457	P	97.1	Very high	97.5	Very high	3 Å²	3	20.7 Å²	20.7	2%	0.019	11%	0.106	C	C	.	.	H	α-helix	trans	-68.7	-22.2	178.5	-15.7	30	0	0	0	113.1	E128 H129 P461 S464	E128-P457 HydrophobicContact CB-CB 4Å; E128-P457 HydrophobicContact CB-CG 4.14Å; H129-P457 HydrophobicContact CB-CB 3.86Å; H129-P457 HydrophobicContact CB-CG 4.48Å; P457-P461 WeakPolarHBondContact O-CA 3.46Å; P457-P461 WeakPolarHBondContact O-CB 3.45Å; P457-S464 WeakPolarHBondContact CB-OG 3.44Å; P457-S464 WeakPolarHBondContact CG-OG 3.35Å
458	Y	97.4	Very high	97.4	Very high	58 Å²	58	20.7 Å²	20.7	23%	0.227	11%	0.106	C	C	.	.	H	α-helix	trans	-72.4	-47.7	170.7	175.6	-88.4	0	0	0	111	V127 P329 D331 Q332 I455 L456	V127-Y458 HydrophobicContact CG1-CD2 3.67Å; V127-Y458 HydrophobicContact CG1-CE2 4.28Å; V127-Y458 HydrophobicContact CG1-CG 4.29Å; P329-Y458 HydrophobicContact CB-CE1 4.42Å; P329-Y458 VanDerWaalsContact CB-OH 3.26Å; P329-Y458 WeakPolarHBondContact CB-OH 3.32Å; P329-Y458 HydrophobicContact CG-CE1 3.89Å; D331-Y458 VanDerWaalsContact CG-OH 3.32Å; D331-Y458 PolarHBondContact OD1-OH 2.63Å; D331-Y458 WeakPolarHBondContact OD2-CE2 3.42Å; D331-Y458 PolarHBondContact OD2-OH 3.12Å; Q332-Y458 HydrophobicContact CG-CD2 4.48Å; Q332-Y458 HydrophobicContact CG-CE2 4.1Å; I455-Y458 HydrophobicContact CG2-CG 4.42Å; I455-Y458 WeakPolarHBondContact O-CB 3.49Å; I455-Y458 PolarHBondContact O-N 3.18Å; L456-Y458 PolarHBondContact O-N 3.08Å
459	D	97.6	Very high	97.2	Very high	42 Å²	42	20.3 Å²	20.3	23%	0.225	10%	0.104	C	C	.	.	H	α-helix	trans	-72.7	-37.3	-175.6	-73.8	-23.7	0	0	0	113.4	N322 G453 I455 L456	N322-D459 PolarHBondContact ND2-OD2 2.88Å; G453-D459 VanDerWaalsContact CA-OD2 3.24Å; G453-D459 WeakPolarHBondContact CA-OD2 3.25Å; G453-D459 PolarHBondContact N-OD2 3.11Å; I455-D459 PolarHBondContact O-N 3.03Å; I455-D459 VanDerWaalsContact O-N 3.1Å; L456-D459 PolarHBondContact O-N 3.21Å
460	Q	97.8	Very high	97.1	Very high	47 Å²	47	21.7 Å²	21.7	22%	0.22	11%	0.109	C	C	.	.	S	Bend	trans	-135	63.8	-175.4	-64.1	-64.3	-33.4	0	0	111.8	I449 G451 L456 A462 R463 S464	I449-Q460 HydrophobicContact CG2-CB 3.86Å; I449-Q460 HydrophobicContact CG2-CG 4.02Å; G451-Q460 PolarHBondContact O-NE2 2.97Å; L456-Q460 PolarHBondContact O-N 3.17Å; Q460-A462 PolarHBondContact O-N 2.95Å; Q460-R463 HydrophobicContact CB-CB 4.14Å; Q460-R463 HydrophobicContact CB-CG 4.46Å; Q460-R463 PolarHBondContact O-N 2.8Å; Q460-R463 VanDerWaalsContact O-N 3.15Å; Q460-S464 WeakPolarHBondContact O-CB 3.41Å; Q460-S464 PolarHBondContact O-N 2.86Å
461	P	97.5	Very high	97	Very high	46 Å²	46	18.1 Å²	18.1	30%	0.299	10%	0.095	S	C	.	.	H	α-helix	trans	-58.7	-45.4	-169.3	19.7	-32.4	0	0	0	113.7	Y145 P457 R463 F465	Y145-P461 HydrophobicContact CD2-CB 4.01Å; Y145-P461 HydrophobicContact CD2-CG 4.37Å; Y145-P461 HydrophobicContact CG-CB 4.28Å; P457-P461 WeakPolarHBondContact O-CA 3.46Å; P457-P461 WeakPolarHBondContact O-CB 3.45Å; P461-R463 PolarHBondContact O-N 2.95Å; P461-F465 WeakPolarHBondContact O-CB 3.19Å; P461-F465 PolarHBondContact O-N 3.05Å
462	A	97.4	Very high	96.8	Very high	23 Å²	23	17.5 Å²	17.5	19%	0.19	9%	0.087	C	C	.	.	H	α-helix	trans	-64.5	-40.9	178.9	0	0	0	0	0	112.5	Y145 L427 Q460 D466	Y145-A462 HydrophobicContact CD1-CB 4.08Å; Y145-A462 HydrophobicContact CD2-CB 4.34Å; Y145-A462 HydrophobicContact CE1-CB 3.64Å; Y145-A462 HydrophobicContact CE2-CB 3.94Å; Y145-A462 HydrophobicContact CG-CB 4.41Å; L427-A462 HydrophobicContact CD1-CB 4.19Å; Q460-A462 PolarHBondContact O-N 2.95Å; A462-D466 WeakPolarHBondContact O-CB 3.42Å; A462-D466 PolarHBondContact O-N 2.81Å
463	R	97.6	Very high	96.1	Very high	38 Å²	38	19 Å²	19	14%	0.143	10%	0.098	C	C	.	.	H	α-helix	trans	-72.9	-38.8	-179.4	-57.8	178.5	176.4	175.7	0.2	111.8	L427 A435 I449 R450 Q460 P461 M467	L427-R463 HydrophobicContact CD1-CG 4.25Å; L427-R463 HydrophobicContact CD2-CB 4.46Å; L427-R463 HydrophobicContact CD2-CG 4.22Å; A435-R463 HydrophobicContact CB-CG 3.99Å; I449-R463 HydrophobicContact CG2-CB 4.01Å; R450-R463 PolarHBondContact O-NH1 2.88Å; Q460-R463 HydrophobicContact CB-CB 4.14Å; Q460-R463 HydrophobicContact CB-CG 4.46Å; Q460-R463 PolarHBondContact O-N 2.8Å; Q460-R463 VanDerWaalsContact O-N 3.15Å; P461-R463 PolarHBondContact O-N 2.95Å; R463-M467 VanDerWaalsContact O-CB 3.24Å; R463-M467 WeakPolarHBondContact O-CB 3.13Å; R463-M467 PolarHBondContact O-N 2.89Å
464	S	97.3	Very high	94.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.1	-44.7	173.8	-178.1	0	0	0	0	111.5	P457 Q460 M467 I468	P457-S464 WeakPolarHBondContact CB-OG 3.44Å; P457-S464 WeakPolarHBondContact CG-OG 3.35Å; Q460-S464 WeakPolarHBondContact O-CB 3.41Å; Q460-S464 PolarHBondContact O-N 2.86Å; S464-M467 WeakPolarHBondContact O-CB 3.45Å; S464-M467 PolarHBondContact O-N 3.14Å; S464-I468 PolarHBondContact O-N 3.35Å
465	F	97.1	Very high	93.2	Very high	33 Å²	33	29 Å²	29	15%	0.145	15%	0.152	C	C	.	.	H	α-helix	trans	-64.6	-46.4	177.6	-175.4	-98.4	0	0	0	112.5	Y145 S146 W147 S149 R150 P461 M467 I468 D469	Y145-F465 HydrophobicContact CD1-CB 4.31Å; S146-F465 VanDerWaalsContact O-CE2 3.31Å; S146-F465 WeakPolarHBondContact O-CE2 3.46Å; W147-F465 AromaticContact CD1-CD2 3.94Å; S149-F465 WeakPolarHBondContact OG-CE2 3.45Å; S149-F465 WeakPolarHBondContact OG-CZ 3.34Å; R150-F465 HydrophobicContact CG-CZ 4.05Å; P461-F465 WeakPolarHBondContact O-CB 3.19Å; P461-F465 PolarHBondContact O-N 3.05Å; F465-M467 VanDerWaalsContact C-N 3.34Å; F465-M467 PolarHBondContact O-N 2.94Å; F465-I468 VanDerWaalsContact O-CG2 3.27Å; F465-I468 WeakPolarHBondContact O-CG2 3.35Å; F465-I468 PolarHBondContact O-N 3.32Å; F465-D469 VanDerWaalsContact O-CB 3.25Å; F465-D469 WeakPolarHBondContact O-CB 3.23Å; F465-D469 PolarHBondContact O-N 3.48Å
466	D	96.7	Very high	91.9	Very high	25 Å²	25	31.2 Å²	31.2	13%	0.134	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-40.8	175.9	176.3	85.8	0	0	0	112.1	L427 A462 D469 R470	L427-D466 HydrophobicContact CD2-CB 3.48Å; L427-D466 VanDerWaalsContact CD2-CB 3.48Å; A462-D466 WeakPolarHBondContact O-CB 3.42Å; A462-D466 PolarHBondContact O-N 2.81Å; D466-D469 PolarHBondContact O-N 2.92Å; D466-R470 VanDerWaalsContact CG-NE 3.31Å; D466-R470 WeakPolarHBondContact O-CG 3.34Å; D466-R470 PolarHBondContact O-N 3.15Å; D466-R470 IonicContact OD1-CZ 3.67Å; D466-R470 IonicContact OD1-NE 3.56Å; D466-R470 PolarHBondContact OD1-NE 2.88Å; D466-R470 IonicContact OD1-NH2 2.87Å; D466-R470 PolarHBondContact OD1-NH2 2.74Å; D466-R470 IonicContact OD2-CZ 2.68Å; D466-R470 IonicContact OD2-NE 3.47Å; D466-R470 PolarHBondContact OD2-NE 3.01Å; D466-R470 IonicContact OD2-NH2 3.44Å; D466-R470 PolarHBondContact OD2-NH2 2.64Å
467	M	97.3	Very high	91.1	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-54.3	175.5	176.5	-156.6	66.7	0	0	111.7	L387 Y389 V447 I449 R463 S464 F465 D469 R470 F471 W477	L387-M467 HydrophobicContact CD2-CE 4.11Å; L387-M467 HydrophobicContact CD2-CG 4.27Å; L387-M467 HydrophobicContact CD2-SD 4.15Å; Y389-M467 WeakPolarHBondContact CB-SD 3.47Å; Y389-M467 HydrophobicContact CD1-CE 3.73Å; Y389-M467 HydrophobicContact CD1-SD 4.05Å; Y389-M467 HydrophobicContact CD2-CE 3.82Å; Y389-M467 HydrophobicContact CD2-SD 3.92Å; Y389-M467 HydrophobicContact CE1-CE 3.93Å; Y389-M467 HydrophobicContact CE2-CE 4.05Å; Y389-M467 HydrophobicContact CG-CE 3.66Å; Y389-M467 HydrophobicContact CG-SD 3.54Å; Y389-M467 VanDerWaalsContact CG-SD 3.54Å; V447-M467 HydrophobicContact CB-SD 4.37Å; V447-M467 HydrophobicContact CG1-CG 3.8Å; V447-M467 HydrophobicContact CG1-SD 3.63Å; I449-M467 HydrophobicContact CD1-CB 4.06Å; I449-M467 HydrophobicContact CD1-CE 4.22Å; I449-M467 HydrophobicContact CD1-CG 4.2Å; I449-M467 HydrophobicContact CD1-SD 3.43Å; I449-M467 WeakPolarHBondContact CD1-SD 3.35Å; I449-M467 HydrophobicContact CG1-SD 4.25Å; R463-M467 VanDerWaalsContact O-CB 3.24Å; R463-M467 WeakPolarHBondContact O-CB 3.13Å; R463-M467 PolarHBondContact O-N 2.89Å; S464-M467 WeakPolarHBondContact O-CB 3.45Å; S464-M467 PolarHBondContact O-N 3.14Å; F465-M467 VanDerWaalsContact C-N 3.34Å; F465-M467 PolarHBondContact O-N 2.94Å; M467-D469 PolarHBondContact O-N 2.91Å; M467-R470 PolarHBondContact O-N 3.29Å; M467-F471 WeakPolarHBondContact O-CB 3.3Å; M467-F471 PolarHBondContact O-N 2.94Å; M467-W477 HydrophobicContact CB-CH2 4.06Å; M467-W477 HydrophobicContact CB-CZ3 4.24Å; M467-W477 HydrophobicContact CG-CH2 3.49Å; M467-W477 VanDerWaalsContact CG-CH2 3.49Å; M467-W477 HydrophobicContact CG-CZ3 4.01Å; M467-W477 WeakPolarHBondContact O-CH2 3.31Å
468	I	96.8	Very high	89.3	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-33.6	-179.3	-162.9	65.8	0	0	0	110.7	W147 A240 L387 S464 F465 F471 L472	W147-I468 HydrophobicContact CD2-CG1 4.38Å; W147-I468 HydrophobicContact CD2-CG2 4.06Å; W147-I468 HydrophobicContact CE3-CG1 4.3Å; W147-I468 HydrophobicContact CG-CG2 4.3Å; W147-I468 HydrophobicContact CH2-CB 4.32Å; W147-I468 HydrophobicContact CH2-CD1 3.92Å; W147-I468 HydrophobicContact CH2-CG1 3.88Å; W147-I468 HydrophobicContact CZ2-CB 3.88Å; W147-I468 HydrophobicContact CZ2-CD1 4.34Å; W147-I468 HydrophobicContact CZ2-CG1 3.94Å; W147-I468 HydrophobicContact CZ2-CG2 4.01Å; W147-I468 HydrophobicContact CZ3-CD1 4.25Å; W147-I468 HydrophobicContact CZ3-CG1 4.07Å; A240-I468 HydrophobicContact CB-CD1 4.18Å; L387-I468 HydrophobicContact CD2-CD1 4.47Å; S464-I468 PolarHBondContact O-N 3.35Å; F465-I468 VanDerWaalsContact O-CG2 3.27Å; F465-I468 WeakPolarHBondContact O-CG2 3.35Å; F465-I468 PolarHBondContact O-N 3.32Å; I468-F471 HydrophobicContact CD1-CD1 3.98Å; I468-F471 PolarHBondContact O-N 3.27Å; I468-L472 HydrophobicContact CD1-CD1 4.35Å; I468-L472 HydrophobicContact CD1-CG 4.46Å; I468-L472 HydrophobicContact CG1-CD1 3.79Å; I468-L472 HydrophobicContact CG1-CG 4.27Å; I468-L472 WeakPolarHBondContact O-CB 3.42Å; I468-L472 VanDerWaalsContact O-CG 3.29Å; I468-L472 WeakPolarHBondContact O-CG 3.41Å; I468-L472 PolarHBondContact O-N 3.15Å
469	D	95.2	Very high	88.9	Confident	9 Å²	9	37.4 Å²	37.4	5%	0.048	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-45	178.6	-163.2	65.1	0	0	0	112.2	R150 Y151 F465 D466 M467 F471 L472 S473	R150-D469 VanDerWaalsContact CZ-CG 3.45Å; R150-D469 IonicContact CZ-OD1 3.97Å; R150-D469 IonicContact CZ-OD2 3.17Å; R150-D469 VanDerWaalsContact CZ-OD2 3.29Å; R150-D469 IonicContact NE-OD1 3.38Å; R150-D469 PolarHBondContact NE-OD1 3.26Å; R150-D469 IonicContact NH1-OD1 3.29Å; R150-D469 PolarHBondContact NH1-OD1 3.28Å; R150-D469 IonicContact NH1-OD2 2.78Å; R150-D469 PolarHBondContact NH1-OD2 3.25Å; R150-D469 IonicContact NH2-OD1 3.7Å; R150-D469 PolarHBondContact NH2-OD1 2.87Å; R150-D469 VanDerWaalsContact NH2-OD1 3.13Å; R150-D469 IonicContact NH2-OD2 3.24Å; R150-D469 PolarHBondContact NH2-OD2 3.18Å; Y151-D469 PolarHBondContact OH-OD1 3.09Å; F465-D469 VanDerWaalsContact O-CB 3.25Å; F465-D469 WeakPolarHBondContact O-CB 3.23Å; F465-D469 PolarHBondContact O-N 3.48Å; D466-D469 PolarHBondContact O-N 2.92Å; M467-D469 PolarHBondContact O-N 2.91Å; D469-F471 VanDerWaalsContact C-N 3.34Å; D469-L472 PolarHBondContact O-N 2.73Å; D469-S473 WeakPolarHBondContact O-CB 3.49Å; D469-S473 PolarHBondContact O-N 3.21Å; D469-S473 PolarHBondContact O-OG 3.46Å
470	R	94.7	Very high	88.5	Confident	30 Å²	30	37.1 Å²	37.1	11%	0.113	23%	0.234	C	C	.	.	H	α-helix	trans	-64.5	-40	174.5	-69	175.6	-167.4	-94.6	-4.9	111.9	R385 L427 D466 M467 L472 T474 Q475 G476 W477	R385-R470 PolarHBondContact NH2-O 3.43Å; L427-R470 PolarHBondContact O-NH2 2.87Å; D466-R470 VanDerWaalsContact CG-NE 3.31Å; D466-R470 WeakPolarHBondContact O-CG 3.34Å; D466-R470 PolarHBondContact O-N 3.15Å; D466-R470 IonicContact OD1-CZ 3.67Å; D466-R470 IonicContact OD1-NE 3.56Å; D466-R470 PolarHBondContact OD1-NE 2.88Å; D466-R470 IonicContact OD1-NH2 2.87Å; D466-R470 PolarHBondContact OD1-NH2 2.74Å; D466-R470 IonicContact OD2-CZ 2.68Å; D466-R470 IonicContact OD2-NE 3.47Å; D466-R470 PolarHBondContact OD2-NE 3.01Å; D466-R470 IonicContact OD2-NH2 3.44Å; D466-R470 PolarHBondContact OD2-NH2 2.64Å; M467-R470 PolarHBondContact O-N 3.29Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 3.2Å; R470-T474 PolarHBondContact O-N 3.11Å; R470-Q475 HydrophobicContact CG-CB 4.41Å; R470-G476 PolarHBondContact NH1-O 3.3Å; R470-W477 HydrophobicContact CB-CD2 4.32Å; R470-W477 HydrophobicContact CB-CH2 4.33Å; R470-W477 HydrophobicContact CB-CZ2 4.14Å
471	F	95.8	Very high	87.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-38.1	174.7	175.7	-107.2	0	0	0	112.3	Y205 M239 A240 R385 L387 F445 M467 I468 D469 W477	Y205-F471 AromaticContact CD1-CE1 3.84Å; Y205-F471 HydrophobicContact CD1-CE1 3.84Å; Y205-F471 HydrophobicContact CD1-CZ 4.27Å; Y205-F471 HydrophobicContact CE1-CE1 4.1Å; Y205-F471 HydrophobicContact CE1-CZ 4.36Å; M239-F471 WeakPolarHBondContact O-CZ 3.45Å; A240-F471 HydrophobicContact CB-CE1 4.2Å; R385-F471 HydrophobicContact CB-CE2 4.33Å; R385-F471 HydrophobicContact CB-CZ 4.37Å; R385-F471 HydrophobicContact CG-CD2 4.41Å; R385-F471 HydrophobicContact CG-CE2 3.64Å; R385-F471 HydrophobicContact CG-CZ 4.13Å; R385-F471 PolarHBondContact NH1-O 2.03Å; R385-F471 PolarHBondContact NH2-O 3.18Å; L387-F471 HydrophobicContact CB-CD1 4.33Å; L387-F471 HydrophobicContact CB-CD2 3.53Å; L387-F471 HydrophobicContact CB-CE1 4.29Å; L387-F471 HydrophobicContact CB-CE2 3.44Å; L387-F471 VanDerWaalsContact CB-CE2 3.44Å; L387-F471 HydrophobicContact CB-CG 3.96Å; L387-F471 HydrophobicContact CB-CZ 3.85Å; L387-F471 HydrophobicContact CD2-CB 3.94Å; L387-F471 HydrophobicContact CD2-CD1 4.25Å; L387-F471 HydrophobicContact CD2-CD2 4.22Å; L387-F471 HydrophobicContact CD2-CG 3.87Å; L387-F471 HydrophobicContact CG-CD2 4.35Å; L387-F471 HydrophobicContact CG-CG 4.48Å; F445-F471 HydrophobicContact CD2-CD2 4.05Å; F445-F471 HydrophobicContact CD2-CE2 4.14Å; F445-F471 HydrophobicContact CE2-CD2 4.49Å; M467-F471 WeakPolarHBondContact O-CB 3.3Å; M467-F471 PolarHBondContact O-N 2.94Å; I468-F471 HydrophobicContact CD1-CD1 3.98Å; I468-F471 PolarHBondContact O-N 3.27Å; D469-F471 VanDerWaalsContact C-N 3.34Å; F471-W477 HydrophobicContact CB-CZ2 4.46Å
472	L	93.3	Very high	87.4	Confident	8 Å²	8	36 Å²	36	4%	0.042	23%	0.231	C	C	.	.	H	α-helix	trans	-89.8	-36.4	-177.3	-64.8	172.3	0	0	0	113	L110 Y151 Y205 I468 D469 R470 T474	L110-L472 HydrophobicContact CD1-CD1 3.7Å; L110-L472 HydrophobicContact CD2-CD1 3.66Å; L110-L472 HydrophobicContact CD2-CD2 3.89Å; L110-L472 HydrophobicContact CD2-CG 4.46Å; L110-L472 HydrophobicContact CG-CD1 4.26Å; Y151-L472 HydrophobicContact CD1-CD1 3.68Å; Y151-L472 HydrophobicContact CD2-CD1 3.94Å; Y151-L472 HydrophobicContact CE1-CB 3.76Å; Y151-L472 HydrophobicContact CE1-CD1 3.45Å; Y151-L472 VanDerWaalsContact CE1-CD1 3.45Å; Y151-L472 HydrophobicContact CE1-CG 4.25Å; Y151-L472 HydrophobicContact CE2-CD1 3.74Å; Y151-L472 HydrophobicContact CG-CD1 3.92Å; Y151-L472 VanDerWaalsContact CZ-CD1 3.49Å; Y205-L472 HydrophobicContact CD1-CD2 3.75Å; Y205-L472 HydrophobicContact CD2-CD2 3.51Å; Y205-L472 HydrophobicContact CE1-CD2 3.82Å; Y205-L472 HydrophobicContact CE2-CD2 3.56Å; Y205-L472 HydrophobicContact CG-CD2 3.61Å; I468-L472 HydrophobicContact CD1-CD1 4.35Å; I468-L472 HydrophobicContact CD1-CG 4.46Å; I468-L472 HydrophobicContact CG1-CD1 3.79Å; I468-L472 HydrophobicContact CG1-CG 4.27Å; I468-L472 WeakPolarHBondContact O-CB 3.42Å; I468-L472 VanDerWaalsContact O-CG 3.29Å; I468-L472 WeakPolarHBondContact O-CG 3.41Å; I468-L472 PolarHBondContact O-N 3.15Å; D469-L472 PolarHBondContact O-N 2.73Å; R470-L472 VanDerWaalsContact C-N 3.32Å; R470-L472 PolarHBondContact O-N 3.2Å; L472-T474 VanDerWaalsContact C-N 3.33Å; L472-T474 PolarHBondContact O-N 2.65Å
473	S	82.4	Confident	86.7	Confident	33 Å²	33	36.8 Å²	36.8	23%	0.231	23%	0.234	C	C	.	.	H	α-helix	trans	-85.3	2	-173.6	67.6	0	0	0	0	114.9	D469 Q475	D469-S473 WeakPolarHBondContact O-CB 3.49Å; D469-S473 PolarHBondContact O-N 3.21Å; D469-S473 PolarHBondContact O-OG 3.46Å; S473-Q475 PolarHBondContact O-N 3.16Å; S473-Q475 WeakPolarHBondContact OG-CB 3.49Å; S473-Q475 VanDerWaalsContact OG-CG 3.26Å; S473-Q475 WeakPolarHBondContact OG-CG 3.46Å
474	T	68.6	Low	86	Confident	111 Å²	111	36.7 Å²	36.7	68%	0.681	24%	0.24	S	C	*	.			trans	57.2	9.9	-171.5	64.2	0	0	0	0	114.4	R385 R470 L472 G476	R385-T474 VanDerWaalsContact NH1-CG2 3.28Å; R470-T474 PolarHBondContact O-N 3.11Å; L472-T474 VanDerWaalsContact C-N 3.33Å; L472-T474 PolarHBondContact O-N 2.65Å; T474-G476 PolarHBondContact O-N 3.36Å
475	Q	67.8	Low	85.2	Confident	100 Å²	100	39.4 Å²	39.4	47%	0.467	26%	0.257	S	S	.	.			trans	-62	133	171.3	-70.9	-179.1	11.3	0	0	109.1	R470 S473	R470-Q475 HydrophobicContact CG-CB 4.41Å; S473-Q475 PolarHBondContact O-N 3.16Å; S473-Q475 WeakPolarHBondContact OG-CB 3.49Å; S473-Q475 VanDerWaalsContact OG-CG 3.26Å; S473-Q475 WeakPolarHBondContact OG-CG 3.46Å
476	G	70	Confident	84.3	Confident	49 Å²	49	39.8 Å²	39.8	51%	0.505	27%	0.265	S	S	.	.			trans	-61.2	158.8	178	0	0	0	0	0	112.1	R470 T474 A478	R470-G476 PolarHBondContact NH1-O 3.3Å; T474-G476 PolarHBondContact O-N 3.36Å; G476-A478 VanDerWaalsContact C-N 3.32Å
477	W	76.9	Confident	83.3	Confident	8 Å²	8	41.1 Å²	41.1	3%	0.03	28%	0.276	C	S	.	.			trans	-89.3	-1.1	174.6	-62.1	87.1	0	0	0	113.3	F423 W425 V438 F445 V447 M467 R470 F471	F423-W477 HydrophobicContact CE2-CB 3.53Å; F423-W477 HydrophobicContact CZ-CB 3.68Å; F423-W477 HydrophobicContact CZ-CG 4.44Å; W425-W477 HydrophobicContact CD2-CE3 4.2Å; W425-W477 HydrophobicContact CD2-CZ3 4.26Å; W425-W477 HydrophobicContact CE3-CE3 4.37Å; W425-W477 HydrophobicContact CE3-CZ3 4.39Å; W425-W477 HydrophobicContact CG-CE3 4.32Å; V438-W477 HydrophobicContact CG1-CD2 4.14Å; V438-W477 HydrophobicContact CG1-CG 4.12Å; V438-W477 HydrophobicContact CG2-CB 4.06Å; V438-W477 HydrophobicContact CG2-CD2 3.77Å; V438-W477 HydrophobicContact CG2-CE3 3.46Å; V438-W477 VanDerWaalsContact CG2-CE3 3.46Å; V438-W477 HydrophobicContact CG2-CG 4.05Å; V438-W477 HydrophobicContact CG2-CZ3 4.16Å; F445-W477 AromaticContact CD1-CD1 3.88Å; F445-W477 AromaticContact CD1-CE2 3.99Å; F445-W477 HydrophobicContact CD1-CZ2 4.41Å; F445-W477 AromaticContact CD1-NE1 3.17Å; F445-W477 AromaticContact CE1-CD1 3.76Å; F445-W477 AromaticContact CE1-NE1 3.27Å; F445-W477 VanDerWaalsContact CE1-NE1 3.27Å; V447-W477 HydrophobicContact CG2-CH2 3.71Å; V447-W477 HydrophobicContact CG2-CZ2 4.05Å; V447-W477 HydrophobicContact CG2-CZ3 4.04Å; M467-W477 HydrophobicContact CB-CH2 4.06Å; M467-W477 HydrophobicContact CB-CZ3 4.24Å; M467-W477 HydrophobicContact CG-CH2 3.49Å; M467-W477 VanDerWaalsContact CG-CH2 3.49Å; M467-W477 HydrophobicContact CG-CZ3 4.01Å; M467-W477 WeakPolarHBondContact O-CH2 3.31Å; R470-W477 HydrophobicContact CB-CD2 4.32Å; R470-W477 HydrophobicContact CB-CH2 4.33Å; R470-W477 HydrophobicContact CB-CZ2 4.14Å; F471-W477 HydrophobicContact CB-CZ2 4.46Å
478	A	60.6	Low	82	Confident	145 Å²	145	44.8 Å²	44.8	100%	1.198	30%	0.301	S	S	*	.			trans	-97.9	0	-175	0	0	0	0	0	112.3	G476	G476-A478 VanDerWaalsContact C-N 3.32Å

Retrieved 478 of 478 residues in 117.9 ms (Link to these results)

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