A0A061IKL2_CRIGR Loading...

Carboxylic ester hydrolase

Esterase with broad substrate specificity. Contributes to the inactivation of the neurotransmitter acetylcholine. Can degrade neurotoxic organophosphate esters.

AlphaFold DB , UniProt , Accession A0A061IKL2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Bche, Length 603 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	52	Low	49.1	Very low	223 Å²	223	122.4 Å²	122.4	100%	1.099	67%	0.665	S	S	*	*				0	2.3	0	-84	-178.6	174	0	0	114.7
2	T	49.7	Very low	49.4	Very low	128 Å²	128	122.8 Å²	122.8	79%	0.785	66%	0.66	S	S	*	*			trans	-103.3	-21.2	-178.2	25.7	0	0	0	0	114.9
3	A	44.3	Very low	49.8	Very low	83 Å²	83	124.8 Å²	124.8	69%	0.686	66%	0.659	S	S	*	*	H	α-helix	trans	-80.7	-18.8	179.4	0	0	0	0	0	114.4	T6	A3-T6 PolarHBondContact O-OG1 3.22Å
4	Q	43.9	Very low	50.1	Low	165 Å²	165	121.6 Å²	121.6	77%	0.771	65%	0.651	S	S	*	*	H	α-helix	trans	-89.8	-17.1	-174.2	-138	166.4	-3.1	0	0	113	V8	Q4-V8 WeakPolarHBondContact O-CG2 3.47Å
5	R	46.5	Very low	50.4	Low	212 Å²	212	121.2 Å²	121.2	80%	0.8	65%	0.648	S	S	*	*	H	α-helix	trans	-85.2	-25.3	177.2	-90	-175.7	174.6	-177.4	-1.1	113.7	T9	R5-T9 PolarHBondContact O-OG1 2.99Å
6	T	48.3	Very low	50.7	Low	88 Å²	88	118.9 Å²	118.9	54%	0.54	64%	0.643	S	S	.	*	H	α-helix	trans	-79.1	-31.2	177.7	33.9	0	0	0	0	113.1	A3 T9 Q10	A3-T6 PolarHBondContact O-OG1 3.22Å; T6-T9 PolarHBondContact O-OG1 3.29Å; T6-Q10 PolarHBondContact O-N 3.33Å
7	A	46.8	Very low	51	Low	55 Å²	55	119.5 Å²	119.5	46%	0.455	64%	0.638	S	S	.	*	H	α-helix	trans	-69.4	-35.5	178	0	0	0	0	0	112.8	T11	A7-T11 PolarHBondContact O-N 2.68Å; A7-T11 PolarHBondContact O-OG1 3.18Å
8	V	50.8	Low	51.2	Low	82 Å²	82	118.8 Å²	118.8	50%	0.497	63%	0.634	S	S	.	*	H	α-helix	trans	-72.7	-36.5	-178.7	178.2	0	0	0	0	111.8	Q4 T11 Q12	Q4-V8 WeakPolarHBondContact O-CG2 3.47Å; V8-T11 PolarHBondContact O-OG1 3.07Å; V8-Q12 PolarHBondContact O-N 3.41Å; V8-Q12 VanDerWaalsContact O-N 3.14Å
9	T	52.5	Low	51.4	Low	82 Å²	82	116.5 Å²	116.5	50%	0.503	63%	0.625	S	S	.	*	H	α-helix	trans	-71.9	-33.7	176.4	28.2	0	0	0	0	112.9	R5 T6 F13	R5-T9 PolarHBondContact O-OG1 2.99Å; T6-T9 PolarHBondContact O-OG1 3.29Å; T9-F13 PolarHBondContact O-N 3.18Å
10	Q	50.8	Low	51.5	Low	147 Å²	147	114.7 Å²	114.7	69%	0.687	62%	0.617	S	S	*	*	H	α-helix	trans	-70.4	-38.8	173.9	-98.6	-179.5	-18	0	0	113	T6 F13 C14	T6-Q10 PolarHBondContact O-N 3.33Å; Q10-F13 PolarHBondContact O-N 3.14Å; Q10-C14 PolarHBondContact O-N 3.37Å
11	T	54.5	Low	51.6	Low	81 Å²	81	116.4 Å²	116.4	50%	0.497	62%	0.619	S	S	.	*	H	α-helix	trans	-69.9	-36.4	177.3	20.2	0	0	0	0	112.4	A7 V8 L15	A7-T11 PolarHBondContact O-N 2.68Å; A7-T11 PolarHBondContact O-OG1 3.18Å; V8-T11 PolarHBondContact O-OG1 3.07Å; T11-L15 WeakPolarHBondContact O-CD1 3.43Å; T11-L15 PolarHBondContact O-N 2.99Å
12	Q	52.9	Low	51.4	Low	128 Å²	128	112.8 Å²	112.8	60%	0.598	60%	0.602	S	S	*	*	H	α-helix	trans	-65	-39.6	172.7	-92.7	176.6	-33.8	0	0	112.7	V8 L15 C16	V8-Q12 PolarHBondContact O-N 3.41Å; V8-Q12 VanDerWaalsContact O-N 3.14Å; Q12-L15 PolarHBondContact O-N 3Å; Q12-C16 WeakPolarHBondContact O-CB 3.49Å; Q12-C16 PolarHBondContact O-N 3.47Å
13	F	54.3	Low	51.2	Low	149 Å²	149	113.3 Å²	113.3	65%	0.654	60%	0.599	S	S	*	*	H	α-helix	trans	-67	-40.5	176.8	-114.5	-90.8	0	0	0	112.6	T9 Q10 C16 F17	T9-F13 PolarHBondContact O-N 3.18Å; Q10-F13 PolarHBondContact O-N 3.14Å; F13-C16 PolarHBondContact O-N 3.44Å; F13-F17 HydrophobicContact CD1-CD2 4.43Å; F13-F17 PolarHBondContact O-N 2.96Å
14	C	54.1	Low	51.1	Low	80 Å²	80	115 Å²	115	54%	0.541	60%	0.596	S	S	.	*	H	α-helix	trans	-68	-37.6	175.6	-78.2	0	0	0	0	112.9	Q10 F17 L18	Q10-C14 PolarHBondContact O-N 3.37Å; C14-F17 PolarHBondContact O-N 2.97Å; C14-L18 WeakPolarHBondContact O-CB 3.43Å; C14-L18 PolarHBondContact O-N 3.43Å
15	L	54.6	Low	50.9	Low	115 Å²	115	109.6 Å²	109.6	60%	0.602	58%	0.584	S	S	*	*	H	α-helix	trans	-66.8	-41.1	174.1	-104	101.7	0	0	0	112	T11 Q12 F17 L18 V19	T11-L15 WeakPolarHBondContact O-CD1 3.43Å; T11-L15 PolarHBondContact O-N 2.99Å; Q12-L15 PolarHBondContact O-N 3Å; L15-F17 PolarHBondContact O-N 2.94Å; L15-L18 PolarHBondContact O-N 3.35Å; L15-V19 VanDerWaalsContact O-CG2 3.28Å; L15-V19 WeakPolarHBondContact O-CG2 3.5Å; L15-V19 PolarHBondContact O-N 3.5Å
16	C	55.8	Low	50.8	Low	84 Å²	84	108.5 Å²	108.5	57%	0.568	59%	0.585	S	S	*	*	H	α-helix	trans	-63.7	-39.4	174.5	-79.2	0	0	0	0	112.1	Q12 F13 V19 V20	Q12-C16 WeakPolarHBondContact O-CB 3.49Å; Q12-C16 PolarHBondContact O-N 3.47Å; F13-C16 PolarHBondContact O-N 3.44Å; C16-V19 PolarHBondContact O-N 3Å; C16-V20 WeakPolarHBondContact O-CB 3.26Å; C16-V20 VanDerWaalsContact O-CG2 3.26Å; C16-V20 WeakPolarHBondContact O-CG2 3.28Å; C16-V20 PolarHBondContact O-N 3.47Å
17	F	55.5	Low	50.4	Low	129 Å²	129	109.1 Å²	109.1	57%	0.566	59%	0.593	S	S	*	*	H	α-helix	trans	-67.1	-37.4	175.2	-107.2	-88	0	0	0	113	F13 C14 L15 V20 F21	F13-F17 HydrophobicContact CD1-CD2 4.43Å; F13-F17 PolarHBondContact O-N 2.96Å; C14-F17 PolarHBondContact O-N 2.97Å; L15-F17 PolarHBondContact O-N 2.94Å; F17-V20 PolarHBondContact O-N 2.89Å; F17-F21 WeakPolarHBondContact O-CB 3.23Å; F17-F21 PolarHBondContact O-N 3.46Å
18	L	54.2	Low	50.4	Low	107 Å²	107	112.5 Å²	112.5	56%	0.56	60%	0.599	S	S	*	*	H	α-helix	trans	-68.7	-36.4	175	-90	156	0	0	0	112.5	C14 L15 F21 M22	C14-L18 WeakPolarHBondContact O-CB 3.43Å; C14-L18 PolarHBondContact O-N 3.43Å; L15-L18 PolarHBondContact O-N 3.35Å; L18-F21 PolarHBondContact O-N 3.36Å; L18-M22 WeakPolarHBondContact O-CB 3.36Å; L18-M22 WeakPolarHBondContact O-CG 3.43Å; L18-M22 PolarHBondContact O-N 2.88Å
19	V	55.5	Low	50.4	Low	76 Å²	76	112.1 Å²	112.1	46%	0.461	60%	0.597	S	S	.	*	H	α-helix	trans	-70.3	-38.4	174.2	173.2	0	0	0	0	111	L15 C16 M22 L23	L15-V19 VanDerWaalsContact O-CG2 3.28Å; L15-V19 WeakPolarHBondContact O-CG2 3.5Å; L15-V19 PolarHBondContact O-N 3.5Å; C16-V19 PolarHBondContact O-N 3Å; V19-M22 PolarHBondContact O-N 3.49Å; V19-L23 HydrophobicContact CG1-CD1 3.84Å; V19-L23 HydrophobicContact CG1-CG 4.46Å; V19-L23 WeakPolarHBondContact O-CB 3.45Å; V19-L23 VanDerWaalsContact O-CG 3.23Å; V19-L23 WeakPolarHBondContact O-CG 3.3Å; V19-L23 PolarHBondContact O-N 2.89Å
20	V	54	Low	50.4	Low	79 Å²	79	115.7 Å²	115.7	48%	0.479	61%	0.608	S	S	.	*	H	α-helix	trans	-67.8	-37.2	173.7	173.2	0	0	0	0	111.6	C16 F17 L23 L24	C16-V20 WeakPolarHBondContact O-CB 3.26Å; C16-V20 VanDerWaalsContact O-CG2 3.26Å; C16-V20 WeakPolarHBondContact O-CG2 3.28Å; C16-V20 PolarHBondContact O-N 3.47Å; F17-V20 PolarHBondContact O-N 2.89Å; V20-L23 PolarHBondContact O-N 3.42Å; V20-L24 HydrophobicContact CG1-CD1 4.08Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 3.38Å
21	F	52.5	Low	50.9	Low	151 Å²	151	116.2 Å²	116.2	66%	0.662	61%	0.61	S	S	*	*	H	α-helix	trans	-70.4	-32.6	173.1	-109.4	-90.4	0	0	0	113.3	F17 L18 L24	F17-F21 WeakPolarHBondContact O-CB 3.23Å; F17-F21 PolarHBondContact O-N 3.46Å; L18-F21 PolarHBondContact O-N 3.36Å; F21-L24 PolarHBondContact O-N 3.38Å
22	M	48.7	Very low	51.6	Low	148 Å²	148	116.4 Å²	116.4	73%	0.729	61%	0.609	S	S	*	*	H	α-helix	trans	-72.6	-30.5	171.7	-79.2	-155.4	-105.8	0	0	112.7	L18 V19 L24 G25	L18-M22 WeakPolarHBondContact O-CB 3.36Å; L18-M22 WeakPolarHBondContact O-CG 3.43Å; L18-M22 PolarHBondContact O-N 2.88Å; V19-M22 PolarHBondContact O-N 3.49Å; M22-L24 VanDerWaalsContact C-N 3.34Å; M22-G25 PolarHBondContact O-N 2.94Å
23	L	43.9	Very low	53.3	Low	138 Å²	138	112.1 Å²	112.1	72%	0.723	59%	0.588	S	S	*	*	H	α-helix	trans	-79.2	-15.8	172.3	-70.5	166.6	0	0	0	113.3	V19 V20	V19-L23 HydrophobicContact CG1-CD1 3.84Å; V19-L23 HydrophobicContact CG1-CG 4.46Å; V19-L23 WeakPolarHBondContact O-CB 3.45Å; V19-L23 VanDerWaalsContact O-CG 3.23Å; V19-L23 WeakPolarHBondContact O-CG 3.3Å; V19-L23 PolarHBondContact O-N 2.89Å; V20-L23 PolarHBondContact O-N 3.42Å
24	L	42.3	Very low	55.3	Low	120 Å²	120	107.2 Å²	107.2	63%	0.628	57%	0.568	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	16.9	167.5	-75.3	164.1	0	0	0	112.7	V20 F21 M22 K26	V20-L24 HydrophobicContact CG1-CD1 4.08Å; V20-L24 WeakPolarHBondContact O-CB 3.42Å; V20-L24 VanDerWaalsContact O-CG 3.3Å; V20-L24 WeakPolarHBondContact O-CG 3.41Å; V20-L24 PolarHBondContact O-N 3.38Å; F21-L24 PolarHBondContact O-N 3.38Å; M22-L24 VanDerWaalsContact C-N 3.34Å; L24-K26 PolarHBondContact O-N 2.91Å; L24-K26 VanDerWaalsContact O-N 3.1Å
25	G	41.3	Very low	57.3	Low	50 Å²	50	103.7 Å²	103.7	52%	0.515	54%	0.544	S	S	.	.	S	Bend	trans	-57.3	116.2	156.8	0	0	0	0	0	107.5	M22 S27	M22-G25 PolarHBondContact O-N 2.94Å; G25-S27 VanDerWaalsContact C-N 3.35Å; G25-S27 PolarHBondContact O-N 3.1Å
26	K	42.7	Very low	59.4	Low	190 Å²	190	102.7 Å²	102.7	83%	0.826	54%	0.543	S	S	*	.			trans	-45.5	99.9	177.7	-79.8	-178.8	174.6	178.7	0	109.2	L24 H28	L24-K26 PolarHBondContact O-N 2.91Å; L24-K26 VanDerWaalsContact O-N 3.1Å; K26-H28 VanDerWaalsContact C-N 3.35Å; K26-H28 PolarHBondContact O-N 2.98Å
27	S	40.1	Very low	61.3	Low	100 Å²	100	99.2 Å²	99.2	70%	0.699	52%	0.519	S	S	*	.			trans	-62.3	105.6	163.1	177.6	0	0	0	0	104.4	G25 T29	G25-S27 VanDerWaalsContact C-N 3.35Å; G25-S27 PolarHBondContact O-N 3.1Å; S27-T29 PolarHBondContact O-N 2.73Å
28	H	47.7	Very low	63.3	Low	126 Å²	126	100 Å²	100	58%	0.583	52%	0.522	S	S	*	.			trans	-62.5	97.4	168.3	-84.4	-63.4	0	0	0	106.2	K26 D32 F33	K26-H28 VanDerWaalsContact C-N 3.35Å; K26-H28 PolarHBondContact O-N 2.98Å; H28-D32 IonicContact CE1-OD2 3.83Å; H28-D32 IonicContact CG-OD2 3.66Å; H28-D32 IonicContact ND1-OD2 2.8Å; H28-D32 PolarHBondContact ND1-OD2 2.87Å; H28-F33 HydrophobicContact CB-CE2 4.44Å; H28-F33 HydrophobicContact CB-CZ 4.35Å
29	T	51.3	Low	65.2	Low	74 Å²	74	95.9 Å²	95.9	45%	0.454	50%	0.501	S	S	.	.			trans	-61	146.2	178.4	40	0	0	0	0	109.1	S27 E31 D32	S27-T29 PolarHBondContact O-N 2.73Å; T29-E31 PolarHBondContact O-N 2.89Å; T29-D32 WeakPolarHBondContact O-CB 3.4Å; T29-D32 PolarHBondContact O-N 3.11Å
30	E	52.1	Low	67.1	Low	158 Å²	158	92.8 Å²	92.8	74%	0.738	49%	0.485	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-14.6	179.5	-68.2	-173.5	156.1	0	0	114.6
31	E	61.1	Low	69.2	Low	157 Å²	157	94.2 Å²	94.2	73%	0.734	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-21.6	173.9	-63.5	-165.5	155.3	0	0	114.4	T29 F33 I34	T29-E31 PolarHBondContact O-N 2.89Å; E31-F33 PolarHBondContact O-N 2.85Å; E31-F33 VanDerWaalsContact O-N 3.11Å; E31-I34 PolarHBondContact O-N 3.25Å
32	D	68.9	Low	71.3	Confident	86 Å²	86	87 Å²	87	46%	0.46	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-19.2	-171.8	-83.1	-4.8	0	0	0	113.9	H28 T29	H28-D32 IonicContact CE1-OD2 3.83Å; H28-D32 IonicContact CG-OD2 3.66Å; H28-D32 IonicContact ND1-OD2 2.8Å; H28-D32 PolarHBondContact ND1-OD2 2.87Å; T29-D32 WeakPolarHBondContact O-CB 3.4Å; T29-D32 PolarHBondContact O-N 3.11Å
33	F	88.9	Confident	73.7	Confident	38 Å²	38	83.2 Å²	83.2	17%	0.167	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	18.9	-177.1	-47.5	-61.5	0	0	0	113.3	H28 E31 R43 G44 T55 Y57	H28-F33 HydrophobicContact CB-CE2 4.44Å; H28-F33 HydrophobicContact CB-CZ 4.35Å; E31-F33 PolarHBondContact O-N 2.85Å; E31-F33 VanDerWaalsContact O-N 3.11Å; F33-R43 WeakPolarHBondContact O-CA 3.33Å; F33-G44 PolarHBondContact O-N 2.83Å; F33-T55 HydrophobicContact CB-CG2 4.39Å; F33-T55 HydrophobicContact CD1-CG2 3.73Å; F33-T55 HydrophobicContact CG-CG2 4.39Å; F33-Y57 WeakPolarHBondContact O-CE1 3.03Å
34	I	96.3	Very high	76.2	Confident	45 Å²	45	76.9 Å²	76.9	23%	0.231	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	126.7	175.6	-59.7	175	0	0	0	109.7	E31 R41 V42 R43 I84	E31-I34 PolarHBondContact O-N 3.25Å; I34-R41 HydrophobicContact CG2-CB 4.2Å; I34-V42 CarbonylContact C-O 3.54Å; I34-V42 WeakPolarHBondContact CA-O 3.44Å; I34-R43 HydrophobicContact CG1-CB 4.37Å; I34-R43 HydrophobicContact CG1-CG 4.47Å; I34-I84 HydrophobicContact CD1-CD1 3.82Å
35	V	96.7	Very high	78.7	Confident	6 Å²	6	75 Å²	75	4%	0.036	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.2	174.2	175.2	0	0	0	0	109.7	R41 V42 Y57 A213 F214	V35-R41 WeakPolarHBondContact O-CA 3.49Å; V35-V42 HydrophobicContact CB-CG2 4.08Å; V35-V42 PolarHBondContact N-O 2.84Å; V35-V42 PolarHBondContact O-N 3.32Å; V35-Y57 HydrophobicContact CB-CE1 4.23Å; V35-Y57 HydrophobicContact CG2-CE1 3.83Å; V35-Y57 VanDerWaalsContact CG2-OH 3.23Å; V35-Y57 WeakPolarHBondContact CG2-OH 3.33Å; V35-A213 HydrophobicContact CG1-CB 3.64Å; V35-F214 HydrophobicContact CB-CD1 4.38Å; V35-F214 HydrophobicContact CB-CE1 3.95Å; V35-F214 HydrophobicContact CB-CZ 4.09Å; V35-F214 HydrophobicContact CG1-CD1 4.16Å; V35-F214 HydrophobicContact CG1-CD2 4.03Å; V35-F214 HydrophobicContact CG1-CE1 3.89Å; V35-F214 HydrophobicContact CG1-CE2 3.75Å; V35-F214 HydrophobicContact CG1-CG 4.23Å; V35-F214 HydrophobicContact CG1-CZ 3.68Å; V35-F214 HydrophobicContact CG2-CD1 4.07Å; V35-F214 HydrophobicContact CG2-CE1 4.05Å
36	T	97.3	Very high	81.3	Confident	95 Å²	95	74.6 Å²	74.6	58%	0.583	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	110	173.2	-56.5	0	0	0	0	109.5	R41	T36-R41 HydrophobicContact CG2-CG 4.31Å
37	T	97.5	Very high	83.8	Confident	11 Å²	11	67.5 Å²	67.5	7%	0.067	35%	0.346	C	S	.	.			trans	-88.1	176.7	171	84.9	0	0	0	0	109.9	T39 G40 V42 W206 N210 F214	T37-T39 PolarHBondContact O-N 2.93Å; T37-T39 PolarHBondContact OG1-N 3.28Å; T37-T39 VanDerWaalsContact OG1-N 3.13Å; T37-T39 PolarHBondContact OG1-OG1 2.89Å; T37-T39 VanDerWaalsContact OG1-OG1 3.13Å; T37-G40 WeakPolarHBondContact CA-O 3.33Å; T37-G40 WeakPolarHBondContact CB-O 3.34Å; T37-G40 PolarHBondContact N-O 2.88Å; T37-G40 PolarHBondContact OG1-N 3.25Å; T37-G40 PolarHBondContact OG1-O 2.8Å; T37-V42 HydrophobicContact CG2-CG1 4.33Å; T37-V42 HydrophobicContact CG2-CG2 4.12Å; T37-W206 HydrophobicContact CG2-CZ2 4.18Å; T37-N210 WeakPolarHBondContact CB-OD1 3.32Å; T37-F214 HydrophobicContact CG2-CE2 4.15Å; T37-F214 HydrophobicContact CG2-CZ 4.13Å
38	K	96.1	Very high	86.4	Confident	146 Å²	146	68.3 Å²	68.3	64%	0.635	35%	0.349	S	S	*	.	S	Bend	trans	-68.5	-23.4	173.7	-64	-64.4	-176.2	178.7	0	113.2	K80 R209 N210	K38-K80 WeakPolarHBondContact O-CE 2.97Å; K38-R209 HydrophobicContact CG-CB 4.45Å; K38-N210 WeakPolarHBondContact CB-OD1 3.47Å; K38-N210 WeakPolarHBondContact CG-OD1 3.06Å; K38-N210 PolarHBondContact N-OD1 2.86Å
39	T	94	Very high	88.7	Confident	19 Å²	19	62.5 Å²	62.5	12%	0.117	32%	0.322	C	S	.	.	S	Bend	trans	-101.2	-19.7	-177.3	48	0	0	0	0	113.3	T37 L78 K80 W81	T37-T39 PolarHBondContact O-N 2.93Å; T37-T39 PolarHBondContact OG1-N 3.28Å; T37-T39 VanDerWaalsContact OG1-N 3.13Å; T37-T39 PolarHBondContact OG1-OG1 2.89Å; T37-T39 VanDerWaalsContact OG1-OG1 3.13Å; T39-L78 HydrophobicContact CG2-CB 4.22Å; T39-K80 CarbonylContact O-C 3.52Å; T39-K80 WeakPolarHBondContact O-CA 3.05Å; T39-W81 PolarHBondContact O-N 3.22Å; T39-W81 VanDerWaalsContact OG1-CH2 3.25Å; T39-W81 WeakPolarHBondContact OG1-CH2 3.41Å; T39-W81 WeakPolarHBondContact OG1-CZ3 3.39Å
40	G	95.6	Very high	90.7	Very high	11 Å²	11	62 Å²	62	11%	0.113	32%	0.316	C	S	.	.			trans	164.9	-173	171.8	0	0	0	0	0	112.9	T37	T37-G40 WeakPolarHBondContact CA-O 3.33Å; T37-G40 WeakPolarHBondContact CB-O 3.34Å; T37-G40 PolarHBondContact N-O 2.88Å; T37-G40 PolarHBondContact OG1-N 3.25Å; T37-G40 PolarHBondContact OG1-O 2.8Å
41	R	97.9	Very high	92.6	Very high	109 Å²	109	58.9 Å²	58.9	41%	0.411	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	139.5	178.1	-61.4	-177.4	-64.8	178.3	-0.9	110.8	I34 V35 T36 W81 G83 I84 K85	I34-R41 HydrophobicContact CG2-CB 4.2Å; V35-R41 WeakPolarHBondContact O-CA 3.49Å; T36-R41 HydrophobicContact CG2-CG 4.31Å; R41-W81 PolarHBondContact O-NE1 3.28Å; R41-G83 PolarHBondContact NE-O 2.79Å; R41-I84 HydrophobicContact CB-CG1 4Å; R41-I84 WeakPolarHBondContact O-CA 3.47Å; R41-K85 PolarHBondContact O-N 2.72Å
42	V	97.9	Very high	94.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	142	175.3	-60.9	0	0	0	0	110.7	I34 V35 T37 Y57 I60 W81 K85 A87 F214	I34-V42 CarbonylContact C-O 3.54Å; I34-V42 WeakPolarHBondContact CA-O 3.44Å; V35-V42 HydrophobicContact CB-CG2 4.08Å; V35-V42 PolarHBondContact N-O 2.84Å; V35-V42 PolarHBondContact O-N 3.32Å; T37-V42 HydrophobicContact CG2-CG1 4.33Å; T37-V42 HydrophobicContact CG2-CG2 4.12Å; V42-Y57 HydrophobicContact CG2-CD1 3.85Å; V42-Y57 HydrophobicContact CG2-CE1 4.23Å; V42-I60 HydrophobicContact CG1-CG1 4.29Å; V42-I60 HydrophobicContact CG1-CG2 4.19Å; V42-I60 HydrophobicContact CG2-CD1 4.31Å; V42-W81 HydrophobicContact CG1-CH2 4.46Å; V42-W81 HydrophobicContact CG1-CZ2 3.8Å; V42-K85 CarbonylContact C-O 3.57Å; V42-K85 WeakPolarHBondContact CA-O 3.46Å; V42-A87 HydrophobicContact CB-CB 4.38Å; V42-F214 HydrophobicContact CG2-CE1 4.21Å; V42-F214 HydrophobicContact CG2-CZ 3.92Å
43	R	97.4	Very high	95.4	Very high	69 Å²	69	50.8 Å²	50.8	26%	0.26	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	123.2	174.4	178.4	-176.4	-69.9	137.4	-14.7	109.9	F33 I34 I84 K85 N86 A87	F33-R43 WeakPolarHBondContact O-CA 3.33Å; I34-R43 HydrophobicContact CG1-CB 4.37Å; I34-R43 HydrophobicContact CG1-CG 4.47Å; R43-I84 HydrophobicContact CB-CG2 3.74Å; R43-K85 PolarHBondContact N-O 3.27Å; R43-N86 PolarHBondContact NH1-OD1 3.41Å; R43-A87 CarbonylContact O-C 3.52Å; R43-A87 WeakPolarHBondContact O-CA 3.33Å; R43-A87 PolarHBondContact O-N 3.39Å
44	G	97	Very high	95.8	Very high	5 Å²	5	49 Å²	49	5%	0.052	29%	0.287	C	S	.	.			trans	-93.4	-169.5	175.8	0	0	0	0	0	113.6	F33 S56 Y57	F33-G44 PolarHBondContact O-N 2.83Å; G44-S56 CarbonylContact C-O 3.42Å; G44-S56 WeakPolarHBondContact CA-O 3.35Å; G44-Y57 VanDerWaalsContact CA-CD1 3.45Å
45	L	95.3	Very high	95.9	Very high	79 Å²	79	47.4 Å²	47.4	41%	0.414	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	144	176.2	-178.2	69.8	0	0	0	110.1	L47 T55 S56 T88	L45-L47 HydrophobicContact CD2-CD2 3.67Å; L45-L47 HydrophobicContact CG-CD2 4.16Å; L45-T55 CarbonylContact O-C 3.55Å; L45-T55 WeakPolarHBondContact O-CA 3.42Å; L45-S56 PolarHBondContact N-O 2.93Å; L45-S56 PolarHBondContact O-N 2.87Å; L45-S56 PolarHBondContact O-OG 2.85Å; L45-T88 HydrophobicContact CB-CG2 4.3Å
46	S	95.6	Very high	96	Very high	42 Å²	42	47.2 Å²	47.2	29%	0.294	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	126	171.5	-173.1	0	0	0	0	110.5	T53	S46-T53 WeakPolarHBondContact OG-CG2 3.33Å
47	L	94.9	Very high	96	Very high	41 Å²	41	43.1 Å²	43.1	22%	0.215	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.9	-177.7	-63.4	178.7	0	0	0	111	L45 V49 T53 V54 S56	L45-L47 HydrophobicContact CD2-CD2 3.67Å; L45-L47 HydrophobicContact CG-CD2 4.16Å; L47-V49 HydrophobicContact CB-CG2 4.3Å; L47-T53 VanDerWaalsContact O-CA 3.32Å; L47-T53 WeakPolarHBondContact O-CA 3.44Å; L47-V54 PolarHBondContact N-O 2.9Å; L47-V54 PolarHBondContact O-N 2.81Å; L47-S56 WeakPolarHBondContact CD1-OG 3.34Å
48	P	95.1	Very high	96.1	Very high	117 Å²	117	43.4 Å²	43.4	76%	0.76	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.8	126.2	170	29.8	-32.4	0	0	0	110.4	G52	P48-G52 CarbonylContact C-O 3.49Å; P48-G52 WeakPolarHBondContact CA-O 3.39Å
49	V	95.6	Very high	96.2	Very high	5 Å²	5	37 Å²	37	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	118.1	-178.5	-170.5	0	0	0	0	109.6	L47 G51 G52 V54 K160 F161 R164	L47-V49 HydrophobicContact CB-CG2 4.3Å; V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 2.87Å; V49-G52 PolarHBondContact N-O 3.13Å; V49-G52 CarbonylContact O-C 3.53Å; V49-G52 PolarHBondContact O-N 3.13Å; V49-V54 HydrophobicContact CB-CG2 4.33Å; V49-V54 HydrophobicContact CG2-CB 4.18Å; V49-V54 HydrophobicContact CG2-CG2 4.06Å; V49-K160 HydrophobicContact CG1-CG 4.16Å; V49-K160 HydrophobicContact CG2-CB 4.02Å; V49-K160 HydrophobicContact CG2-CD 3.94Å; V49-K160 HydrophobicContact CG2-CG 4Å; V49-F161 HydrophobicContact CG1-CD1 3.68Å; V49-F161 HydrophobicContact CG1-CE1 3.99Å; V49-R164 HydrophobicContact CB-CB 4.16Å; V49-R164 HydrophobicContact CB-CG 4.07Å; V49-R164 HydrophobicContact CG1-CB 3.76Å; V49-R164 HydrophobicContact CG1-CG 3.88Å; V49-R164 PolarHBondContact O-NE 2.79Å
50	L	93.7	Very high	96.4	Very high	62 Å²	62	36.1 Å²	36.1	33%	0.325	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	50.4	176.5	-56.2	175.5	0	0	0	113.2	G52 F161 R164 V165 L479	L50-G52 PolarHBondContact O-N 3.05Å; L50-G52 VanDerWaalsContact O-N 3.15Å; L50-F161 HydrophobicContact CD1-CD1 4.2Å; L50-F161 HydrophobicContact CG-CD1 4.27Å; L50-R164 HydrophobicContact CB-CG 4.41Å; L50-V165 HydrophobicContact CD1-CG2 3.7Å; L50-L479 HydrophobicContact CD1-CB 4.18Å; L50-L479 HydrophobicContact CD1-CD2 3.86Å; L50-L479 HydrophobicContact CD2-CB 4.32Å; L50-L479 WeakPolarHBondContact CD2-O 3.17Å
51	G	91.1	Very high	96.6	Very high	93 Å²	93	35.9 Å²	35.9	96%	0.959	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	6.3	-179.3	0	0	0	0	0	115.4	V49	V49-G51 VanDerWaalsContact C-N 3.34Å; V49-G51 PolarHBondContact O-N 2.87Å
52	G	93.9	Very high	96.6	Very high	19 Å²	19	30.8 Å²	30.8	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	-157	170.9	0	0	0	0	0	111.4	P48 V49 L50	P48-G52 CarbonylContact C-O 3.49Å; P48-G52 WeakPolarHBondContact CA-O 3.39Å; V49-G52 PolarHBondContact N-O 3.13Å; V49-G52 CarbonylContact O-C 3.53Å; V49-G52 PolarHBondContact O-N 3.13Å; L50-G52 PolarHBondContact O-N 3.05Å; L50-G52 VanDerWaalsContact O-N 3.15Å
53	T	96	Very high	96.6	Very high	54 Å²	54	30.9 Å²	30.9	33%	0.331	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	148	-172.4	-53.8	0	0	0	0	112.2	S46 L47 A130	S46-T53 WeakPolarHBondContact OG-CG2 3.33Å; L47-T53 VanDerWaalsContact O-CA 3.32Å; L47-T53 WeakPolarHBondContact O-CA 3.44Å; T53-A130 HydrophobicContact CG2-CB 4.08Å; T53-A130 WeakPolarHBondContact O-CB 3.29Å; T53-A130 PolarHBondContact O-N 3.17Å
54	V	97.6	Very high	96.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	141.8	169.5	171.9	0	0	0	0	107.8	L47 V49 W127 T128 A163 R164	L47-V54 PolarHBondContact N-O 2.9Å; L47-V54 PolarHBondContact O-N 2.81Å; V49-V54 HydrophobicContact CB-CG2 4.33Å; V49-V54 HydrophobicContact CG2-CB 4.18Å; V49-V54 HydrophobicContact CG2-CG2 4.06Å; V54-W127 HydrophobicContact CG1-CB 4.04Å; V54-T128 WeakPolarHBondContact CG1-O 3.4Å; V54-A163 HydrophobicContact CG1-CB 4.26Å; V54-R164 HydrophobicContact CG2-CB 3.69Å
55	T	98.1	Very high	96.7	Very high	13 Å²	13	32.2 Å²	32.2	8%	0.08	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.7	170.7	-51.2	0	0	0	0	108.9	F33 L45 Y57 T128	F33-T55 HydrophobicContact CB-CG2 4.39Å; F33-T55 HydrophobicContact CD1-CG2 3.73Å; F33-T55 HydrophobicContact CG-CG2 4.39Å; L45-T55 CarbonylContact O-C 3.55Å; L45-T55 WeakPolarHBondContact O-CA 3.42Å; T55-Y57 HydrophobicContact CG2-CD2 4.41Å; T55-Y57 HydrophobicContact CG2-CE2 3.6Å; T55-T128 HydrophobicContact CG2-CG2 4.48Å; T55-T128 PolarHBondContact N-O 3.43Å; T55-T128 PolarHBondContact O-N 2.95Å
56	S	98.1	Very high	96.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	140.5	177.1	60	0	0	0	0	111.1	G44 L45 L47 V126	G44-S56 CarbonylContact C-O 3.42Å; G44-S56 WeakPolarHBondContact CA-O 3.35Å; L45-S56 PolarHBondContact N-O 2.93Å; L45-S56 PolarHBondContact O-N 2.87Å; L45-S56 PolarHBondContact O-OG 2.85Å; L47-S56 WeakPolarHBondContact CD1-OG 3.34Å; S56-V126 CarbonylContact C-O 3.08Å; S56-V126 WeakPolarHBondContact CA-O 3.49Å
57	Y	98.7	Very high	96.9	Very high	10 Å²	10	30.6 Å²	30.6	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	104.2	169.5	-55.3	-102.5	0	0	0	107.2	F33 V35 V42 G44 T55 A87 N125 V126 T128 F214	F33-Y57 WeakPolarHBondContact O-CE1 3.03Å; V35-Y57 HydrophobicContact CB-CE1 4.23Å; V35-Y57 HydrophobicContact CG2-CE1 3.83Å; V35-Y57 VanDerWaalsContact CG2-OH 3.23Å; V35-Y57 WeakPolarHBondContact CG2-OH 3.33Å; V42-Y57 HydrophobicContact CG2-CD1 3.85Å; V42-Y57 HydrophobicContact CG2-CE1 4.23Å; G44-Y57 VanDerWaalsContact CA-CD1 3.45Å; T55-Y57 HydrophobicContact CG2-CD2 4.41Å; T55-Y57 HydrophobicContact CG2-CE2 3.6Å; Y57-A87 CarbonylContact C-O 3.48Å; Y57-A87 WeakPolarHBondContact CA-O 3.32Å; Y57-N125 CarbonylContact O-C 3.2Å; Y57-N125 VanDerWaalsContact O-CA 3.25Å; Y57-N125 WeakPolarHBondContact O-CA 3.38Å; Y57-V126 HydrophobicContact CD2-CB 4.41Å; Y57-V126 PolarHBondContact N-O 3.43Å; Y57-V126 PolarHBondContact O-N 3.47Å; Y57-T128 HydrophobicContact CE2-CG2 3.95Å; Y57-F214 AromaticContact CD1-CE1 3.84Å; Y57-F214 HydrophobicContact CD1-CE1 3.84Å; Y57-F214 AromaticContact CD2-CD1 3.78Å; Y57-F214 HydrophobicContact CD2-CD1 3.78Å; Y57-F214 AromaticContact CD2-CE1 3.66Å; Y57-F214 HydrophobicContact CD2-CE1 3.66Å; Y57-F214 AromaticContact CE1-CE1 3.99Å; Y57-F214 HydrophobicContact CE1-CE1 3.99Å; Y57-F214 AromaticContact CE2-CD1 3.7Å; Y57-F214 HydrophobicContact CE2-CD1 3.7Å; Y57-F214 AromaticContact CE2-CE1 3.85Å; Y57-F214 HydrophobicContact CE2-CE1 3.85Å; Y57-F214 HydrophobicContact CG-CD1 4.29Å; Y57-F214 AromaticContact CG-CE1 3.69Å; Y57-F214 HydrophobicContact CG-CE1 3.69Å
58	L	98.8	Very high	97	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.089	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.6	-172.8	-51.5	-178.2	0	0	0	109.5	A87 K89 Y90 N125 W127	L58-A87 PolarHBondContact N-O 3.1Å; L58-A87 CarbonylContact O-C 3.55Å; L58-A87 WeakPolarHBondContact O-CA 3.02Å; L58-A87 WeakPolarHBondContact O-CB 3.48Å; L58-K89 CarbonylContact C-O 3.58Å; L58-K89 VanDerWaalsContact CB-C 3.46Å; L58-K89 WeakPolarHBondContact CB-O 3.15Å; L58-Y90 HydrophobicContact CB-CD1 4.2Å; L58-Y90 HydrophobicContact CD1-CD1 4.26Å; L58-Y90 HydrophobicContact CD1-CD2 4.3Å; L58-Y90 HydrophobicContact CD1-CE1 4.09Å; L58-Y90 HydrophobicContact CD1-CE2 4.14Å; L58-Y90 HydrophobicContact CD1-CG 4.36Å; L58-Y90 HydrophobicContact CD2-CD1 4.22Å; L58-Y90 HydrophobicContact CD2-CE1 3.72Å; L58-Y90 HydrophobicContact CG-CD1 4.45Å; L58-Y90 HydrophobicContact CG-CE1 4.32Å; L58-N125 WeakPolarHBondContact CA-OD1 3.24Å; L58-N125 HydrophobicContact CD2-CB 3.91Å; L58-W127 HydrophobicContact CD2-CH2 4.34Å; L58-W127 HydrophobicContact CD2-CZ2 3.76Å
59	G	98.6	Very high	97	Very high	10 Å²	10	31.7 Å²	31.7	10%	0.103	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.9	40.9	177.8	0	0	0	0	0	115.1	Y123 L124 N125	G59-Y123 WeakPolarHBondContact O-CD1 3.25Å; G59-L124 PolarHBondContact N-O 2.73Å; G59-N125 PolarHBondContact N-OD1 3.08Å
60	I	98.8	Very high	97.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	121.8	170.2	-56.4	170.5	0	0	0	108.6	V42 A87 Y123 L124 V126 W206 F214	V42-I60 HydrophobicContact CG1-CG1 4.29Å; V42-I60 HydrophobicContact CG1-CG2 4.19Å; V42-I60 HydrophobicContact CG2-CD1 4.31Å; I60-A87 HydrophobicContact CG1-CB 3.94Å; I60-Y123 CarbonylContact O-C 3.5Å; I60-Y123 VanDerWaalsContact O-CA 3.32Å; I60-Y123 WeakPolarHBondContact O-CA 3.21Å; I60-L124 HydrophobicContact CB-CD1 3.92Å; I60-L124 HydrophobicContact CB-CG 4.46Å; I60-L124 HydrophobicContact CD1-CD1 4.15Å; I60-L124 HydrophobicContact CG2-CD1 4.46Å; I60-L124 PolarHBondContact N-O 3.38Å; I60-L124 PolarHBondContact O-N 3.14Å; I60-V126 HydrophobicContact CD1-CG2 4.1Å; I60-W206 HydrophobicContact CD1-CH2 4.01Å; I60-W206 HydrophobicContact CD1-CZ2 4.15Å; I60-W206 HydrophobicContact CG2-CZ2 3.76Å; I60-F214 HydrophobicContact CD1-CE1 4.26Å; I60-F214 HydrophobicContact CD1-CZ 3.94Å
61	P	98.5	Very high	97.4	Very high	7 Å²	7	31.5 Å²	31.5	5%	0.045	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	138.5	176	32.9	-37.6	0	0	0	109	L78 W81 K85 Y123	P61-L78 HydrophobicContact CB-CD1 3.62Å; P61-L78 HydrophobicContact CB-CD2 4.43Å; P61-L78 HydrophobicContact CG-CD1 3.89Å; P61-L78 WeakPolarHBondContact O-CD1 3.43Å; P61-W81 HydrophobicContact CG-CH2 4.31Å; P61-W81 HydrophobicContact CG-CZ3 4.17Å; P61-K85 HydrophobicContact CG-CD 3.99Å; P61-Y123 HydrophobicContact CB-CD1 3.86Å; P61-Y123 HydrophobicContact CB-CE1 3.64Å; P61-Y123 HydrophobicContact CG-CE1 4.36Å
62	Y	98.6	Very high	97.7	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	15%	0.153	C	C	.	.			trans	-118.2	-15.2	174.4	71.3	-97.5	0	0	0	114.1	L78 L122 L124 M173 N174 D199 L202 A203	Y62-L78 VanDerWaalsContact C-CD1 3.45Å; Y62-L122 WeakPolarHBondContact CD1-O 3.4Å; Y62-L122 HydrophobicContact CE1-CB 4.07Å; Y62-L122 WeakPolarHBondContact CE1-O 3.42Å; Y62-L122 HydrophobicContact CE2-CB 4.31Å; Y62-L122 PolarHBondContact N-O 2.93Å; Y62-L124 HydrophobicContact CD1-CB 4.11Å; Y62-L124 HydrophobicContact CD1-CD2 3.9Å; Y62-L124 HydrophobicContact CD1-CG 4.09Å; Y62-L124 HydrophobicContact CG-CD2 4.02Å; Y62-M173 HydrophobicContact CE1-CB 4.18Å; Y62-N174 PolarHBondContact OH-O 3.32Å; Y62-D199 WeakPolarHBondContact CE2-O 3.29Å; Y62-D199 WeakPolarHBondContact OH-CB 3.19Å; Y62-D199 PolarHBondContact OH-O 3.19Å; Y62-L202 HydrophobicContact CD2-CB 4.38Å; Y62-L202 HydrophobicContact CD2-CD2 4.49Å; Y62-L202 HydrophobicContact CD2-CG 4.2Å; Y62-L202 HydrophobicContact CE2-CB 4.34Å; Y62-A203 HydrophobicContact CD1-CB 4.17Å; Y62-A203 HydrophobicContact CD2-CB 3.9Å; Y62-A203 HydrophobicContact CE1-CB 4.12Å; Y62-A203 HydrophobicContact CE2-CB 3.87Å; Y62-A203 HydrophobicContact CG-CB 4.06Å
63	A	98.4	Very high	97.9	Very high	2 Å²	2	28.6 Å²	28.6	2%	0.017	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-135.7	161.3	177.1	0	0	0	0	0	111.1	P75 Q76 L78 L122 L202	A63-P75 HydrophobicContact CB-CB 4.05Å; A63-Q76 CarbonylContact C-O 3.5Å; A63-Q76 WeakPolarHBondContact CA-O 3.42Å; A63-L78 VanDerWaalsContact C-CG 3.43Å; A63-L78 WeakPolarHBondContact O-CD2 3.23Å; A63-L78 WeakPolarHBondContact O-CG 3.35Å; A63-L122 HydrophobicContact CB-CB 3.87Å; A63-L122 HydrophobicContact CB-CD1 3.56Å; A63-L122 HydrophobicContact CB-CG 4.38Å; A63-L202 HydrophobicContact CB-CD2 3.63Å
64	Q	98.3	Very high	98	Very high	57 Å²	57	29 Å²	29	27%	0.266	15%	0.151	S	C	.	.			trans	-62.6	144.7	167.6	-64.1	-177.5	31.4	0	0	109.7	P66 Q76 P77 L78	Q64-P66 WeakPolarHBondContact O-CD 3.29Å; Q64-Q76 HydrophobicContact CB-CB 4.24Å; Q64-Q76 HydrophobicContact CG-CB 4.19Å; Q64-Q76 PolarHBondContact N-O 3.46Å; Q64-P77 WeakPolarHBondContact CG-O 3.47Å; Q64-P77 PolarHBondContact NE2-O 2.8Å; Q64-L78 HydrophobicContact CG-CD2 4.49Å
65	P	98.1	Very high	98	Very high	44 Å²	44	29.7 Å²	29.7	29%	0.286	16%	0.156	S	C	.	.			trans	-56.2	123.7	173.9	-25.4	35.1	0	0	0	110.6	L67 D120	P65-L67 HydrophobicContact CB-CD1 3.8Å; P65-L67 HydrophobicContact CB-CG 3.75Å; P65-L67 PolarHBondContact O-N 2.88Å; P65-D120 HydrophobicContact CB-CB 3.97Å; P65-D120 HydrophobicContact CG-CB 4.44Å; P65-D120 WeakPolarHBondContact CG-OD1 3.1Å
66	P	97.7	Very high	98	Very high	4 Å²	4	33 Å²	33	3%	0.026	17%	0.17	C	C	.	.			trans	-78.6	53.1	-176.6	33.3	-36.9	0	0	0	112.1	Q64 R71 E119 L122 R176	Q64-P66 WeakPolarHBondContact O-CD 3.29Å; P66-R71 PolarHBondContact O-N 2.9Å; P66-E119 VanDerWaalsContact CD-O 3.29Å; P66-E119 WeakPolarHBondContact CD-O 3.48Å; P66-E119 WeakPolarHBondContact CG-O 3.24Å; P66-L122 HydrophobicContact CB-CD1 4.45Å; P66-L122 HydrophobicContact CG-CD1 3.91Å; P66-L122 HydrophobicContact CG-CG 4.12Å; P66-R176 HydrophobicContact CG-CG 4.49Å
67	L	97.6	Very high	97.9	Very high	83 Å²	83	35.7 Å²	35.7	44%	0.435	19%	0.188	S	C	.	.			trans	-90.5	152.2	-174.3	-56.4	176.1	0	0	0	112.4	P65 R69 L70 E119	P65-L67 HydrophobicContact CB-CD1 3.8Å; P65-L67 HydrophobicContact CB-CG 3.75Å; P65-L67 PolarHBondContact O-N 2.88Å; L67-R69 PolarHBondContact O-N 2.96Å; L67-R69 VanDerWaalsContact O-N 3.16Å; L67-L70 WeakPolarHBondContact O-CB 3.24Å; L67-L70 PolarHBondContact O-N 2.99Å; L67-E119 HydrophobicContact CD2-CB 3.49Å; L67-E119 VanDerWaalsContact CD2-CB 3.49Å
68	G	96.1	Very high	97.6	Very high	42 Å²	42	37 Å²	37	43%	0.433	20%	0.195	S	C	.	.	G	3₁₀ helix	trans	54.8	-118	174.3	0	0	0	0	0	112	L70 R71	G68-L70 PolarHBondContact O-N 2.84Å; G68-L70 VanDerWaalsContact O-N 3.11Å; G68-R71 VanDerWaalsContact O-CB 3.23Å; G68-R71 WeakPolarHBondContact O-CB 3.41Å; G68-R71 PolarHBondContact O-N 3.19Å
69	R	96	Very high	97.3	Very high	140 Å²	140	41.9 Å²	41.9	53%	0.528	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-64.1	-13.9	179.6	-63.9	-60.6	-168.5	159.1	3.6	114.6	L67 K73 E291 Q294	L67-R69 PolarHBondContact O-N 2.96Å; L67-R69 VanDerWaalsContact O-N 3.16Å; R69-K73 WeakPolarHBondContact O-CD 3.19Å; R69-K73 VanDerWaalsContact O-CE 3.24Å; R69-K73 WeakPolarHBondContact O-CE 3.44Å; R69-E291 IonicContact CZ-OE1 3.81Å; R69-E291 VanDerWaalsContact NH1-CD 3.35Å; R69-E291 IonicContact NH1-OE1 3.36Å; R69-E291 PolarHBondContact NH1-OE1 2.72Å; R69-E291 IonicContact NH2-OE1 3.31Å; R69-E291 PolarHBondContact NH2-OE1 3Å; R69-E291 VanDerWaalsContact NH2-OE1 3.15Å; R69-Q294 PolarHBondContact O-NE2 2.93Å
70	L	97.5	Very high	97.1	Very high	49 Å²	49	49.8 Å²	49.8	26%	0.257	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-88.6	-9.2	174.1	-63	179.1	0	0	0	112.9	L67 G68 F72 K73 Q76	L67-L70 WeakPolarHBondContact O-CB 3.24Å; L67-L70 PolarHBondContact O-N 2.99Å; G68-L70 PolarHBondContact O-N 2.84Å; G68-L70 VanDerWaalsContact O-N 3.11Å; L70-F72 PolarHBondContact O-N 3Å; L70-K73 PolarHBondContact O-N 3.16Å; L70-K73 VanDerWaalsContact O-N 3.08Å; L70-Q76 HydrophobicContact CD2-CG 4.15Å
71	R	98.4	Very high	96.9	Very high	14 Å²	14	52.5 Å²	52.5	5%	0.053	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	136.9	172.5	-173.1	-171.5	-66.5	172.7	-2.6	109.3	P66 G68 K73 E119 L180 L293 Q294 K296	P66-R71 PolarHBondContact O-N 2.9Å; G68-R71 VanDerWaalsContact O-CB 3.23Å; G68-R71 WeakPolarHBondContact O-CB 3.41Å; G68-R71 PolarHBondContact O-N 3.19Å; R71-K73 PolarHBondContact O-N 2.73Å; R71-E119 IonicContact CZ-OE1 3.83Å; R71-E119 IonicContact CZ-OE2 3.3Å; R71-E119 IonicContact NE-OE1 3Å; R71-E119 PolarHBondContact NE-OE1 3.32Å; R71-E119 IonicContact NE-OE2 2.94Å; R71-E119 VanDerWaalsContact NH2-CD 3.28Å; R71-E119 IonicContact NH2-OE1 2.93Å; R71-E119 PolarHBondContact NH2-OE1 2.77Å; R71-E119 IonicContact NH2-OE2 2.67Å; R71-E119 PolarHBondContact NH2-OE2 3.45Å; R71-L180 HydrophobicContact CG-CD2 4.05Å; R71-L293 PolarHBondContact NH1-O 3.26Å; R71-Q294 HydrophobicContact CB-CG 4.31Å; R71-Q294 PolarHBondContact NH1-O 2.93Å; R71-Q294 VanDerWaalsContact NH1-O 3.11Å; R71-Q294 PolarHBondContact O-NE2 2.96Å; R71-K296 PolarHBondContact NH1-O 3.36Å; R71-K296 PolarHBondContact NH2-O 2.68Å
72	F	98.3	Very high	96.7	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	2	-172.7	-41	-59.2	0	0	0	116	L70 A179 L180 L183 A191 M195 I290 L293 Q294 I301	L70-F72 PolarHBondContact O-N 3Å; F72-A179 WeakPolarHBondContact CD1-O 3.22Å; F72-L180 HydrophobicContact CE1-CD2 3.91Å; F72-L180 HydrophobicContact CZ-CD2 4.32Å; F72-L183 HydrophobicContact CD1-CB 3.99Å; F72-L183 HydrophobicContact CD1-CD1 4.29Å; F72-L183 HydrophobicContact CE1-CB 4.24Å; F72-L183 HydrophobicContact CE1-CD1 3.94Å; F72-L183 HydrophobicContact CZ-CD1 4.11Å; F72-A191 HydrophobicContact CB-CB 4.1Å; F72-M195 HydrophobicContact CB-CE 4.25Å; F72-M195 WeakPolarHBondContact O-CE 3.4Å; F72-M195 VanDerWaalsContact O-CG 3.28Å; F72-M195 WeakPolarHBondContact O-CG 3.46Å; F72-I290 HydrophobicContact CD2-CG2 4.25Å; F72-L293 HydrophobicContact CE2-CB 3.81Å; F72-L293 HydrophobicContact CZ-CB 4.19Å; F72-Q294 HydrophobicContact CD2-CG 3.89Å; F72-Q294 HydrophobicContact CE2-CG 4.03Å; F72-I301 HydrophobicContact CZ-CD1 4.03Å
73	K	98	Very high	96.5	Very high	50 Å²	50	59.7 Å²	59.7	22%	0.217	32%	0.32	C	S	.	.	S	Bend	trans	-93.4	159.6	174.6	-63	-163.9	-178.6	-161.5	0	112.1	R69 L70 R71 R176 E190 M195	R69-K73 WeakPolarHBondContact O-CD 3.19Å; R69-K73 VanDerWaalsContact O-CE 3.24Å; R69-K73 WeakPolarHBondContact O-CE 3.44Å; L70-K73 PolarHBondContact O-N 3.16Å; L70-K73 VanDerWaalsContact O-N 3.08Å; R71-K73 PolarHBondContact O-N 2.73Å; K73-R176 PolarHBondContact O-NH1 3.3Å; K73-R176 PolarHBondContact O-NH2 3.08Å; K73-E190 VanDerWaalsContact CE-CD 3.42Å; K73-E190 WeakPolarHBondContact CE-OE1 3.23Å; K73-E190 WeakPolarHBondContact CE-OE2 3.46Å; K73-E190 IonicContact NZ-OE1 3.24Å; K73-E190 PolarHBondContact NZ-OE1 3.09Å; K73-E190 IonicContact NZ-OE2 3.7Å; K73-E190 PolarHBondContact NZ-OE2 3.29Å; K73-M195 VanDerWaalsContact C-CG 3.47Å; K73-M195 VanDerWaalsContact O-CG 3.31Å; K73-M195 WeakPolarHBondContact O-CG 3.43Å
74	K	98	Very high	96.5	Very high	62 Å²	62	62.2 Å²	62.2	27%	0.27	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-53.5	140	169	-65.5	-168.5	-176.7	-166.5	0	110.7	Q76 F198 D326	K74-Q76 PolarHBondContact O-NE2 3.04Å; K74-F198 HydrophobicContact CD-CD1 4.29Å; K74-F198 HydrophobicContact CD-CD2 4.12Å; K74-F198 HydrophobicContact CD-CE1 4.28Å; K74-F198 HydrophobicContact CD-CE2 4.12Å; K74-F198 HydrophobicContact CD-CG 4.22Å; K74-F198 HydrophobicContact CD-CZ 4.2Å; K74-F198 VanDerWaalsContact CE-CE2 3.45Å; K74-F198 VanDerWaalsContact CE-CZ 3.47Å; K74-F198 HydrophobicContact CG-CD2 4Å; K74-F198 HydrophobicContact CG-CE2 4.35Å; K74-F198 HydrophobicContact CG-CG 4.25Å; K74-D326 IonicContact NZ-OD1 2.68Å; K74-D326 PolarHBondContact NZ-OD1 3.11Å; K74-D326 IonicContact NZ-OD2 3.26Å; K74-D326 PolarHBondContact NZ-OD2 2.97Å
75	P	98.4	Very high	96.4	Very high	16 Å²	16	63.1 Å²	63.1	10%	0.104	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-63.6	140.7	-179.3	30.6	-37.3	0	0	0	110.9	A63 L122 F198 D199 L202	A63-P75 HydrophobicContact CB-CB 4.05Å; P75-L122 HydrophobicContact CB-CD1 4Å; P75-F198 HydrophobicContact CG-CB 4.11Å; P75-F198 WeakPolarHBondContact CG-O 3.45Å; P75-D199 WeakPolarHBondContact CB-OD1 3.28Å; P75-D199 WeakPolarHBondContact CD-OD1 3.25Å; P75-D199 VanDerWaalsContact CG-OD1 3.23Å; P75-D199 WeakPolarHBondContact CG-OD1 3.31Å; P75-L202 HydrophobicContact CB-CD2 3.76Å; P75-L202 HydrophobicContact CG-CB 4.16Å; P75-L202 HydrophobicContact CG-CD2 3.93Å
76	Q	97.8	Very high	96.3	Very high	81 Å²	81	65.7 Å²	65.7	38%	0.379	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-97.3	139	178.8	-61.9	-57	-40.7	0	0	110.6	A63 Q64 L70 K74	A63-Q76 CarbonylContact C-O 3.5Å; A63-Q76 WeakPolarHBondContact CA-O 3.42Å; Q64-Q76 HydrophobicContact CB-CB 4.24Å; Q64-Q76 HydrophobicContact CG-CB 4.19Å; Q64-Q76 PolarHBondContact N-O 3.46Å; L70-Q76 HydrophobicContact CD2-CG 4.15Å; K74-Q76 PolarHBondContact O-NE2 3.04Å
77	P	95.4	Very high	96.3	Very high	59 Å²	59	65.6 Å²	65.6	38%	0.383	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-57	143.8	173.8	-24.2	33.6	0	0	0	112.2	Q64 L202	Q64-P77 WeakPolarHBondContact CG-O 3.47Å; Q64-P77 PolarHBondContact NE2-O 2.8Å; P77-L202 HydrophobicContact CG-CD1 4.29Å
78	L	93.1	Very high	96.3	Very high	37 Å²	37	64 Å²	64	19%	0.194	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-64.2	140.6	176.4	-80.7	164.6	0	0	0	113.2	T39 P61 Y62 A63 Q64 W81	T39-L78 HydrophobicContact CG2-CB 4.22Å; P61-L78 HydrophobicContact CB-CD1 3.62Å; P61-L78 HydrophobicContact CB-CD2 4.43Å; P61-L78 HydrophobicContact CG-CD1 3.89Å; P61-L78 WeakPolarHBondContact O-CD1 3.43Å; Y62-L78 VanDerWaalsContact C-CD1 3.45Å; A63-L78 VanDerWaalsContact C-CG 3.43Å; A63-L78 WeakPolarHBondContact O-CD2 3.23Å; A63-L78 WeakPolarHBondContact O-CG 3.35Å; Q64-L78 HydrophobicContact CG-CD2 4.49Å; L78-W81 HydrophobicContact CD1-CZ3 4.2Å
79	N	91.1	Very high	96.4	Very high	120 Å²	120	70 Å²	70	64%	0.642	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-68.5	153.1	160.9	-65	-33.5	0	0	0	110.2
80	K	94.5	Very high	96.6	Very high	175 Å²	175	66.3 Å²	66.3	76%	0.761	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-64.7	139.1	173.3	-69.8	-176	177.1	177.6	0	110.1	K38 T39	K38-K80 WeakPolarHBondContact O-CE 2.97Å; T39-K80 CarbonylContact O-C 3.52Å; T39-K80 WeakPolarHBondContact O-CA 3.05Å
81	W	94.8	Very high	96.6	Very high	58 Å²	58	64.8 Å²	64.8	22%	0.22	34%	0.336	C	S	.	.			trans	-108.1	150	170.8	67.3	88.6	0	0	0	111.3	T39 R41 V42 P61 L78	T39-W81 PolarHBondContact O-N 3.22Å; T39-W81 VanDerWaalsContact OG1-CH2 3.25Å; T39-W81 WeakPolarHBondContact OG1-CH2 3.41Å; T39-W81 WeakPolarHBondContact OG1-CZ3 3.39Å; R41-W81 PolarHBondContact O-NE1 3.28Å; V42-W81 HydrophobicContact CG1-CH2 4.46Å; V42-W81 HydrophobicContact CG1-CZ2 3.8Å; P61-W81 HydrophobicContact CG-CH2 4.31Å; P61-W81 HydrophobicContact CG-CZ3 4.17Å; L78-W81 HydrophobicContact CD1-CZ3 4.2Å
82	S	94.9	Very high	96.6	Very high	118 Å²	118	66.6 Å²	66.6	83%	0.825	35%	0.347	S	S	*	.			trans	-88.2	162	171.1	59.6	0	0	0	0	110.9
83	G	95.1	Very high	96.7	Very high	42 Å²	42	66.6 Å²	66.6	43%	0.433	35%	0.347	S	S	.	.	S	Bend	trans	80.1	-152.2	179.4	0	0	0	0	0	114	R41	R41-G83 PolarHBondContact NE-O 2.79Å
84	I	96.8	Very high	96.7	Very high	56 Å²	56	64.3 Å²	64.3	29%	0.287	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.5	-179.6	-61.1	161.1	0	0	0	107.4	I34 R41 R43	I34-I84 HydrophobicContact CD1-CD1 3.82Å; R41-I84 HydrophobicContact CB-CG1 4Å; R41-I84 WeakPolarHBondContact O-CA 3.47Å; R43-I84 HydrophobicContact CB-CG2 3.74Å
85	K	96.5	Very high	96.7	Very high	76 Å²	76	63.8 Å²	63.8	33%	0.33	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	128	173.4	-156.1	177.2	-166.3	-165	0	109.5	R41 V42 R43 P61 A87	R41-K85 PolarHBondContact O-N 2.72Å; V42-K85 CarbonylContact C-O 3.57Å; V42-K85 WeakPolarHBondContact CA-O 3.46Å; R43-K85 PolarHBondContact N-O 3.27Å; P61-K85 HydrophobicContact CG-CD 3.99Å; K85-A87 PolarHBondContact O-N 3.32Å
86	N	97.1	Very high	96.7	Very high	98 Å²	98	63.1 Å²	63.1	52%	0.524	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	108.9	175.4	-72.7	-22.3	0	0	0	109.4	R43	R43-N86 PolarHBondContact NH1-OD1 3.41Å
87	A	97.9	Very high	96.5	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.008	32%	0.316	C	S	.	.			trans	-101.6	57.8	177.7	0	0	0	0	0	109.8	V42 R43 Y57 L58 I60 K85	V42-A87 HydrophobicContact CB-CB 4.38Å; R43-A87 CarbonylContact O-C 3.52Å; R43-A87 WeakPolarHBondContact O-CA 3.33Å; R43-A87 PolarHBondContact O-N 3.39Å; Y57-A87 CarbonylContact C-O 3.48Å; Y57-A87 WeakPolarHBondContact CA-O 3.32Å; L58-A87 PolarHBondContact N-O 3.1Å; L58-A87 CarbonylContact O-C 3.55Å; L58-A87 WeakPolarHBondContact O-CA 3.02Å; L58-A87 WeakPolarHBondContact O-CB 3.48Å; I60-A87 HydrophobicContact CG1-CB 3.94Å; K85-A87 PolarHBondContact O-N 3.32Å
88	T	97.3	Very high	96.4	Very high	51 Å²	51	60.4 Å²	60.4	31%	0.313	31%	0.314	S	S	.	.	B	Isolated β-bridge	trans	-114.4	-0.1	-171.8	59.6	0	0	0	0	113.5	L45	L45-T88 HydrophobicContact CB-CG2 4.3Å
89	K	98.1	Very high	96.5	Very high	168 Å²	168	60.4 Å²	60.4	73%	0.73	31%	0.314	S	S	*	.	S	Bend	trans	-141.5	148.7	179.4	-63.9	-176.4	-179.9	-177.1	0	108.9	L58	L58-K89 CarbonylContact C-O 3.58Å; L58-K89 VanDerWaalsContact CB-C 3.46Å; L58-K89 WeakPolarHBondContact CB-O 3.15Å
90	Y	98.8	Very high	96.7	Very high	61 Å²	61	61.2 Å²	61.2	24%	0.239	31%	0.314	C	S	.	.			trans	-59.4	146.5	171	-67	-67.1	0	0	0	110.6	L58 N125 W127 S153	L58-Y90 HydrophobicContact CB-CD1 4.2Å; L58-Y90 HydrophobicContact CD1-CD1 4.26Å; L58-Y90 HydrophobicContact CD1-CD2 4.3Å; L58-Y90 HydrophobicContact CD1-CE1 4.09Å; L58-Y90 HydrophobicContact CD1-CE2 4.14Å; L58-Y90 HydrophobicContact CD1-CG 4.36Å; L58-Y90 HydrophobicContact CD2-CD1 4.22Å; L58-Y90 HydrophobicContact CD2-CE1 3.72Å; L58-Y90 HydrophobicContact CG-CD1 4.45Å; L58-Y90 HydrophobicContact CG-CE1 4.32Å; Y90-N125 WeakPolarHBondContact CD1-OD1 3.37Å; Y90-W127 HydrophobicContact CE1-CH2 4.19Å; Y90-W127 HydrophobicContact CE1-CZ2 4.04Å; Y90-W127 WeakPolarHBondContact OH-CZ2 3.39Å; Y90-S153 VanDerWaalsContact CG-CB 3.49Å
91	A	98.6	Very high	96.6	Very high	18 Å²	18	56.4 Å²	56.4	15%	0.149	30%	0.299	C	S	.	.			trans	-83.3	178.2	174.3	0	0	0	0	0	111.2	T115 Y123	A91-T115 WeakPolarHBondContact O-CB 3.37Å; A91-T115 PolarHBondContact O-OG1 3.21Å; A91-Y123 HydrophobicContact CB-CD1 3.75Å; A91-Y123 HydrophobicContact CB-CD2 3.44Å; A91-Y123 VanDerWaalsContact CB-CD2 3.44Å; A91-Y123 HydrophobicContact CB-CE1 4.33Å; A91-Y123 HydrophobicContact CB-CE2 4.11Å; A91-Y123 HydrophobicContact CB-CG 3.28Å
92	N	98.9	Very high	96.7	Very high	51 Å²	51	55 Å²	55	27%	0.273	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-58.6	142.4	175.5	-60.8	-22.9	0	0	0	111.2	D116 S118 N174	N92-D116 CarbonylContact C-O 3.5Å; N92-D116 VanDerWaalsContact CA-O 3.24Å; N92-D116 WeakPolarHBondContact CA-O 3.38Å; N92-D116 VanDerWaalsContact CB-O 3.29Å; N92-D116 WeakPolarHBondContact CB-O 3.42Å; N92-S118 WeakPolarHBondContact ND2-CB 3.18Å; N92-N174 PolarHBondContact O-ND2 2.9Å
93	S	98.9	Very high	96.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	150.1	168.3	-65	0	0	0	0	109	T115 D116 L117 S118 T151	S93-T115 PolarHBondContact N-OG1 2.63Å; S93-T115 PolarHBondContact OG-OG1 2.94Å; S93-D116 PolarHBondContact N-O 2.85Å; S93-L117 WeakPolarHBondContact O-CA 3.17Å; S93-S118 PolarHBondContact O-N 3.18Å; S93-T151 VanDerWaalsContact OG-CB 3.24Å; S93-T151 WeakPolarHBondContact OG-CB 3.23Å; S93-T151 PolarHBondContact OG-OG1 3.32Å
94	C	98.9	Very high	96.9	Very high	2 Å²	2	55.2 Å²	55.2	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	145.1	175.1	-63.3	0	0	0	0	110.3	Q96 C121 Y175	C94-Q96 WeakPolarHBondContact O-CG 3.39Å; C94-Q96 PolarHBondContact O-N 3.11Å; C94-Q96 PolarHBondContact O-NE2 3.01Å; C94-C121 VanDerWaalsContact CA-CB 3.46Å; C94-C121 WeakPolarHBondContact CA-SG 3.43Å; C94-C121 HydrophobicContact CB-CB 3.81Å; C94-C121 WeakPolarHBondContact CB-SG 3.27Å; C94-C121 WeakPolarHBondContact SG-CB 3.03Å; C94-C121 CovalentContact SG-SG 2.04Å; C94-C121 PolarHBondContact SG-SG 3.15Å; C94-Y175 PolarHBondContact SG-O 2.7Å
95	Y	98.4	Very high	96.9	Very high	51 Å²	51	54 Å²	54	20%	0.2	29%	0.289	C	S	.	.	S	Bend	trans	-48.4	127.8	172.4	-95.4	-68.1	0	0	0	111.4	L117 S118 E119 L180 P298 L302	Y95-L117 HydrophobicContact CD1-CB 3.99Å; Y95-L117 HydrophobicContact CD1-CD1 4.46Å; Y95-L117 HydrophobicContact CE1-CB 4.11Å; Y95-L117 HydrophobicContact CG-CB 4.48Å; Y95-S118 VanDerWaalsContact CD2-C 3.4Å; Y95-S118 PolarHBondContact N-O 2.94Å; Y95-E119 HydrophobicContact CD2-CB 4.4Å; Y95-E119 HydrophobicContact CD2-CG 3.55Å; Y95-E119 HydrophobicContact CE2-CG 3.89Å; Y95-L180 VanDerWaalsContact CB-CD1 3.49Å; Y95-L180 HydrophobicContact CG-CD1 4.33Å; Y95-P298 HydrophobicContact CD1-CB 3.98Å; Y95-P298 HydrophobicContact CD2-CB 3.57Å; Y95-P298 HydrophobicContact CD2-CG 3.98Å; Y95-P298 HydrophobicContact CE1-CB 4Å; Y95-P298 HydrophobicContact CE2-CB 3.6Å; Y95-P298 HydrophobicContact CE2-CG 3.65Å; Y95-P298 HydrophobicContact CG-CB 3.77Å; Y95-L302 HydrophobicContact CD1-CD1 3.74Å; Y95-L302 HydrophobicContact CG-CD1 4.3Å
96	Q	97.4	Very high	96.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	30%	0.299	C	S	.	.			trans	-160.3	159.9	-176.2	62.6	-167.1	-86.6	0	0	109.9	C94 P113 L117 Q148 T149 G150 L177	C94-Q96 WeakPolarHBondContact O-CG 3.39Å; C94-Q96 PolarHBondContact O-N 3.11Å; C94-Q96 PolarHBondContact O-NE2 3.01Å; Q96-P113 HydrophobicContact CG-CG 4.21Å; Q96-L117 HydrophobicContact CG-CD2 4.1Å; Q96-Q148 VanDerWaalsContact CB-O 3.31Å; Q96-Q148 WeakPolarHBondContact CB-O 3.39Å; Q96-T149 VanDerWaalsContact OE1-CA 3.23Å; Q96-G150 PolarHBondContact NE2-O 2.78Å; Q96-L177 HydrophobicContact CB-CD1 4.31Å
97	N	93.6	Very high	96.8	Very high	20 Å²	20	49.8 Å²	49.8	11%	0.107	27%	0.274	C	S	.	.			trans	-69.9	144.1	167.9	-81.6	-62	0	0	0	110.5	T149 L302 R306	N97-T149 WeakPolarHBondContact O-CG2 3.37Å; N97-L302 PolarHBondContact ND2-O 2.71Å; N97-R306 PolarHBondContact OD1-NE 2.91Å; N97-R306 VanDerWaalsContact OD1-NE 3.1Å; N97-R306 PolarHBondContact OD1-NH2 3.28Å
98	I	94.8	Very high	96.8	Very high	64 Å²	64	49.8 Å²	49.8	33%	0.328	27%	0.274	S	S	.	.			trans	-98.7	135.6	175.6	-57.9	178.4	0	0	0	108.4	Q100 N112 P113 L117	I98-Q100 HydrophobicContact CG2-CG 4.29Å; I98-Q100 PolarHBondContact O-N 2.82Å; I98-N112 HydrophobicContact CG2-CB 4.26Å; I98-N112 WeakPolarHBondContact CG2-OD1 3.5Å; I98-P113 HydrophobicContact CG1-CG 4.19Å; I98-L117 HydrophobicContact CD1-CD1 4.37Å; I98-L117 HydrophobicContact CG1-CD1 4.47Å
99	D	93.9	Very high	96.8	Very high	37 Å²	37	51.5 Å²	51.5	20%	0.198	28%	0.279	C	S	.	.			trans	-72.1	114.6	171.5	-179.7	12.6	0	0	0	109.7	T101 S108 N112 Y361	D99-T101 WeakPolarHBondContact OD1-CB 3.25Å; D99-T101 PolarHBondContact OD1-N 2.95Å; D99-T101 PolarHBondContact OD1-OG1 2.78Å; D99-S108 WeakPolarHBondContact OD2-CB 3Å; D99-N112 PolarHBondContact N-OD1 3.4Å; D99-N112 PolarHBondContact O-ND2 2.84Å; D99-Y361 WeakPolarHBondContact OD2-CE1 3.34Å; D99-Y361 PolarHBondContact OD2-OH 3.49Å
100	Q	94.6	Very high	96.8	Very high	136 Å²	136	46 Å²	46	64%	0.636	26%	0.256	S	S	*	.			trans	-117.5	14.4	177.9	-63.7	-177.2	-10.3	0	0	111.7	I98 F102 P103	I98-Q100 HydrophobicContact CG2-CG 4.29Å; I98-Q100 PolarHBondContact O-N 2.82Å; Q100-F102 VanDerWaalsContact C-N 3.3Å; Q100-F102 PolarHBondContact O-N 2.67Å; Q100-P103 WeakPolarHBondContact O-CD 3.47Å; Q100-P103 WeakPolarHBondContact O-CG 3.33Å
101	T	93.8	Very high	96.8	Very high	74 Å²	74	46.2 Å²	46.2	45%	0.454	26%	0.257	S	S	.	.	S	Bend	trans	-65.3	-37.2	-176.4	-47.9	0	0	0	0	111.1	D99 Y361	D99-T101 WeakPolarHBondContact OD1-CB 3.25Å; D99-T101 PolarHBondContact OD1-N 2.95Å; D99-T101 PolarHBondContact OD1-OG1 2.78Å; T101-Y361 HydrophobicContact CG2-CD1 4.03Å; T101-Y361 HydrophobicContact CG2-CE1 4.13Å; T101-Y361 WeakPolarHBondContact OG1-CE1 3.31Å
102	F	96.1	Very high	96.8	Very high	30 Å²	30	46.6 Å²	46.6	13%	0.132	26%	0.256	C	S	.	.	S	Bend	trans	-127.7	77	178.9	-50.5	-59.2	0	0	0	111.4	Q100 G104 F105 S108 V360 Y361 K368 W459	Q100-F102 VanDerWaalsContact C-N 3.3Å; Q100-F102 PolarHBondContact O-N 2.67Å; F102-G104 PolarHBondContact O-N 2.96Å; F102-F105 HydrophobicContact CB-CB 3.74Å; F102-F105 HydrophobicContact CB-CD1 4.06Å; F102-F105 HydrophobicContact CB-CG 4.29Å; F102-F105 HydrophobicContact CD2-CD1 4.47Å; F102-F105 VanDerWaalsContact O-CB 3.31Å; F102-F105 WeakPolarHBondContact O-CB 3.37Å; F102-F105 PolarHBondContact O-N 2.91Å; F102-F105 VanDerWaalsContact O-N 3.16Å; F102-S108 PolarHBondContact O-OG 3Å; F102-V360 HydrophobicContact CE2-CG2 4.15Å; F102-V360 HydrophobicContact CZ-CB 4.23Å; F102-V360 HydrophobicContact CZ-CG2 4.29Å; F102-Y361 HydrophobicContact CE2-CE1 4.22Å; F102-Y361 HydrophobicContact CE2-CE2 4.38Å; F102-K368 HydrophobicContact CB-CD 4.19Å; F102-K368 HydrophobicContact CD1-CD 3.61Å; F102-K368 HydrophobicContact CD1-CG 4.11Å; F102-K368 HydrophobicContact CD2-CD 4.16Å; F102-K368 HydrophobicContact CE1-CD 3.95Å; F102-K368 HydrophobicContact CE1-CG 3.97Å; F102-K368 HydrophobicContact CE2-CD 4.49Å; F102-K368 HydrophobicContact CG-CD 3.71Å; F102-K368 HydrophobicContact CZ-CD 4.38Å; F102-K368 HydrophobicContact CZ-CG 4.35Å; F102-W459 AromaticContact CD2-CH2 3.93Å; F102-W459 HydrophobicContact CD2-CH2 3.93Å; F102-W459 HydrophobicContact CD2-CZ3 4.31Å; F102-W459 AromaticContact CE2-CH2 3.82Å; F102-W459 HydrophobicContact CE2-CH2 3.82Å; F102-W459 AromaticContact CE2-CZ3 3.99Å; F102-W459 HydrophobicContact CE2-CZ3 3.99Å
103	P	97	Very high	96.8	Very high	105 Å²	105	45.4 Å²	45.4	68%	0.682	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	134.1	-178.6	-22.8	34.5	0	0	0	112.4	Q100 F105	Q100-P103 WeakPolarHBondContact O-CD 3.47Å; Q100-P103 WeakPolarHBondContact O-CG 3.33Å; P103-F105 PolarHBondContact O-N 2.86Å
104	G	97.3	Very high	96.7	Very high	59 Å²	59	49.1 Å²	49.1	61%	0.608	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	4.4	-177.9	0	0	0	0	0	114.7	F102 P106 E109	F102-G104 PolarHBondContact O-N 2.96Å; G104-P106 WeakPolarHBondContact O-CD 3.48Å; G104-E109 WeakPolarHBondContact CA-OE1 3.33Å; G104-E109 PolarHBondContact N-OE1 2.97Å
105	F	97.9	Very high	96.7	Very high	31 Å²	31	50.6 Å²	50.6	14%	0.136	28%	0.28	C	S	.	.			trans	-92	115.9	179.2	180	-123.1	0	0	0	111.1	F102 P103 G107 S108 E109 K368 P458 W459	F102-F105 HydrophobicContact CB-CB 3.74Å; F102-F105 HydrophobicContact CB-CD1 4.06Å; F102-F105 HydrophobicContact CB-CG 4.29Å; F102-F105 HydrophobicContact CD2-CD1 4.47Å; F102-F105 VanDerWaalsContact O-CB 3.31Å; F102-F105 WeakPolarHBondContact O-CB 3.37Å; F102-F105 PolarHBondContact O-N 2.91Å; F102-F105 VanDerWaalsContact O-N 3.16Å; P103-F105 PolarHBondContact O-N 2.86Å; F105-G107 PolarHBondContact O-N 2.71Å; F105-G107 VanDerWaalsContact O-N 3.13Å; F105-S108 PolarHBondContact O-N 2.78Å; F105-S108 PolarHBondContact O-OG 2.8Å; F105-S108 VanDerWaalsContact O-OG 3.11Å; F105-E109 WeakPolarHBondContact O-CB 3.4Å; F105-E109 WeakPolarHBondContact O-CG 3.47Å; F105-E109 PolarHBondContact O-N 2.81Å; F105-K368 HydrophobicContact CD1-CD 3.99Å; F105-K368 HydrophobicContact CE1-CD 4.08Å; F105-K368 HydrophobicContact CG-CD 4.24Å; F105-K368 HydrophobicContact CZ-CD 4.42Å; F105-P458 HydrophobicContact CE2-CB 3.83Å; F105-P458 HydrophobicContact CE2-CG 4.35Å; F105-P458 WeakPolarHBondContact CE2-O 3.27Å; F105-P458 HydrophobicContact CZ-CB 4Å; F105-P458 HydrophobicContact CZ-CG 4.1Å; F105-P458 WeakPolarHBondContact CZ-O 3.38Å; F105-W459 HydrophobicContact CD1-CH2 4.37Å; F105-W459 HydrophobicContact CD1-CZ2 4.36Å; F105-W459 AromaticContact CE1-CD2 3.59Å; F105-W459 HydrophobicContact CE1-CD2 3.59Å; F105-W459 AromaticContact CE1-CE2 3.54Å; F105-W459 AromaticContact CE1-CE3 3.68Å; F105-W459 HydrophobicContact CE1-CE3 3.68Å; F105-W459 HydrophobicContact CE1-CG 4.29Å; F105-W459 AromaticContact CE1-CH2 3.8Å; F105-W459 HydrophobicContact CE1-CH2 3.8Å; F105-W459 AromaticContact CE1-CZ2 3.67Å; F105-W459 HydrophobicContact CE1-CZ2 3.67Å; F105-W459 AromaticContact CE1-CZ3 3.77Å; F105-W459 HydrophobicContact CE1-CZ3 3.77Å; F105-W459 AromaticContact CZ-CD2 3.85Å; F105-W459 HydrophobicContact CZ-CD2 3.85Å; F105-W459 HydrophobicContact CZ-CE3 4.06Å; F105-W459 HydrophobicContact CZ-CG 4.12Å
106	P	96.1	Very high	96.7	Very high	84 Å²	84	54.3 Å²	54.3	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-61.3	-27.4	-175.7	-25.9	35.6	0	0	0	114.4	G104 S108 M110	G104-P106 WeakPolarHBondContact O-CD 3.48Å; P106-S108 VanDerWaalsContact C-N 3.32Å; P106-S108 PolarHBondContact O-N 2.83Å; P106-M110 VanDerWaalsContact O-CB 3.22Å; P106-M110 WeakPolarHBondContact O-CB 3.16Å; P106-M110 VanDerWaalsContact O-CG 3.22Å; P106-M110 WeakPolarHBondContact O-CG 3.32Å; P106-M110 PolarHBondContact O-N 3.47Å
107	G	95.6	Very high	96.8	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-68.5	-27.2	-176.4	0	0	0	0	0	115.1	F105 W111 W459 Y469	F105-G107 PolarHBondContact O-N 2.71Å; F105-G107 VanDerWaalsContact O-N 3.13Å; G107-W111 VanDerWaalsContact O-CD1 3.31Å; G107-W111 PolarHBondContact O-NE1 2.84Å; G107-W111 VanDerWaalsContact O-NE1 3.17Å; G107-W459 PolarHBondContact O-NE1 2.89Å; G107-W459 VanDerWaalsContact O-NE1 3.12Å; G107-Y469 PolarHBondContact O-OH 3.43Å
108	S	96.9	Very high	97	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.007	32%	0.318	C	S	.	.	H	α-helix	trans	-96.3	-46.2	171.7	51.4	0	0	0	0	110.9	D99 F102 F105 P106 M110 W111	D99-S108 WeakPolarHBondContact OD2-CB 3Å; F102-S108 PolarHBondContact O-OG 3Å; F105-S108 PolarHBondContact O-N 2.78Å; F105-S108 PolarHBondContact O-OG 2.8Å; F105-S108 VanDerWaalsContact O-OG 3.11Å; P106-S108 VanDerWaalsContact C-N 3.32Å; P106-S108 PolarHBondContact O-N 2.83Å; S108-M110 PolarHBondContact O-N 2.8Å; S108-W111 PolarHBondContact O-N 3.37Å; S108-W111 VanDerWaalsContact O-N 3.08Å
109	E	97.9	Very high	97.2	Very high	88 Å²	88	54.9 Å²	54.9	41%	0.411	31%	0.308	S	S	.	.	H	α-helix	trans	-66.6	-22.4	-174.2	-69.2	-172.7	165.6	0	0	114	G104 F105 W111 N112	G104-E109 WeakPolarHBondContact CA-OE1 3.33Å; G104-E109 PolarHBondContact N-OE1 2.97Å; F105-E109 WeakPolarHBondContact O-CB 3.4Å; F105-E109 WeakPolarHBondContact O-CG 3.47Å; F105-E109 PolarHBondContact O-N 2.81Å; E109-W111 PolarHBondContact O-N 2.85Å; E109-W111 VanDerWaalsContact O-N 3.15Å; E109-N112 WeakPolarHBondContact O-CB 3.43Å; E109-N112 PolarHBondContact O-N 3.13Å; E109-N112 VanDerWaalsContact O-N 3.08Å
110	M	97.5	Very high	97.4	Very high	51 Å²	51	55.1 Å²	55.1	25%	0.251	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-20.5	173.7	66.1	-177.5	-71.6	0	0	113.7	P106 S108 V156 Y469	P106-M110 VanDerWaalsContact O-CB 3.22Å; P106-M110 WeakPolarHBondContact O-CB 3.16Å; P106-M110 VanDerWaalsContact O-CG 3.22Å; P106-M110 WeakPolarHBondContact O-CG 3.32Å; P106-M110 PolarHBondContact O-N 3.47Å; S108-M110 PolarHBondContact O-N 2.8Å; M110-V156 HydrophobicContact CE-CG1 3.44Å; M110-V156 VanDerWaalsContact CE-CG1 3.44Å; M110-Y469 HydrophobicContact SD-CE1 4.24Å
111	W	98.2	Very high	97.6	Very high	67 Å²	67	48.7 Å²	48.7	25%	0.254	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.5	178	-51.7	107.5	0	0	0	113.2	G107 S108 E109 L154 V156 Y157 Y469 I471	G107-W111 VanDerWaalsContact O-CD1 3.31Å; G107-W111 PolarHBondContact O-NE1 2.84Å; G107-W111 VanDerWaalsContact O-NE1 3.17Å; S108-W111 PolarHBondContact O-N 3.37Å; S108-W111 VanDerWaalsContact O-N 3.08Å; E109-W111 PolarHBondContact O-N 2.85Å; E109-W111 VanDerWaalsContact O-N 3.15Å; W111-L154 HydrophobicContact CE3-CD1 4.2Å; W111-V156 HydrophobicContact CH2-CG2 4.49Å; W111-V156 HydrophobicContact CZ3-CG2 3.95Å; W111-Y157 HydrophobicContact CZ3-CE1 4.39Å; W111-Y469 HydrophobicContact CZ2-CE2 4.16Å; W111-I471 HydrophobicContact CH2-CD1 4.13Å; W111-I471 HydrophobicContact CZ3-CD1 4.09Å
112	N	98.6	Very high	97.9	Very high	26 Å²	26	45.2 Å²	45.2	14%	0.139	26%	0.258	C	S	.	.	S	Bend	trans	-71	148.8	177.5	-80.6	-29.8	0	0	0	111.3	I98 D99 E109 N114 L154	I98-N112 HydrophobicContact CG2-CB 4.26Å; I98-N112 WeakPolarHBondContact CG2-OD1 3.5Å; D99-N112 PolarHBondContact N-OD1 3.4Å; D99-N112 PolarHBondContact O-ND2 2.84Å; E109-N112 WeakPolarHBondContact O-CB 3.43Å; E109-N112 PolarHBondContact O-N 3.13Å; E109-N112 VanDerWaalsContact O-N 3.08Å; N112-N114 PolarHBondContact O-N 3.14Å; N112-L154 WeakPolarHBondContact O-CD2 3.33Å
113	P	98.4	Very high	98	Very high	25 Å²	25	45.1 Å²	45.1	16%	0.162	26%	0.257	C	S	.	.			trans	-58.2	130.5	178.4	24.4	-33.8	0	0	0	111	Q96 I98 L117 T151	Q96-P113 HydrophobicContact CG-CG 4.21Å; I98-P113 HydrophobicContact CG1-CG 4.19Å; P113-L117 HydrophobicContact CB-CD2 3.87Å; P113-L117 HydrophobicContact CG-CD2 3.81Å; P113-T151 HydrophobicContact CB-CG2 4.45Å
114	N	98.3	Very high	98.1	Very high	78 Å²	78	40.1 Å²	40.1	42%	0.417	23%	0.225	S	C	.	.			trans	-104.9	13.3	-178.2	69	-19	0	0	0	113.5	N112 S153	N112-N114 PolarHBondContact O-N 3.14Å; N114-S153 PolarHBondContact ND2-O 3.29Å; N114-S153 WeakPolarHBondContact OD1-CB 3.45Å; N114-S153 PolarHBondContact OD1-O 2.92Å; N114-S153 PolarHBondContact OD1-OG 3.46Å
115	T	98.8	Very high	98.2	Very high	34 Å²	34	37.4 Å²	37.4	21%	0.209	20%	0.196	C	C	.	.	S	Bend	trans	-134.9	165.3	172.2	59.8	0	0	0	0	109.4	A91 S93	A91-T115 WeakPolarHBondContact O-CB 3.37Å; A91-T115 PolarHBondContact O-OG1 3.21Å; S93-T115 PolarHBondContact N-OG1 2.63Å; S93-T115 PolarHBondContact OG-OG1 2.94Å
116	D	98.6	Very high	98.2	Very high	128 Å²	128	36 Å²	36	68%	0.684	19%	0.19	S	C	*	.			trans	-56.8	145.7	179.7	-60.6	-37.1	0	0	0	111.6	N92 S93	N92-D116 CarbonylContact C-O 3.5Å; N92-D116 VanDerWaalsContact CA-O 3.24Å; N92-D116 WeakPolarHBondContact CA-O 3.38Å; N92-D116 VanDerWaalsContact CB-O 3.29Å; N92-D116 WeakPolarHBondContact CB-O 3.42Å; S93-D116 PolarHBondContact N-O 2.85Å
117	L	98.6	Very high	98.4	Very high	42 Å²	42	32 Å²	32	22%	0.22	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	131.3	175	-61.4	-174.7	0	0	0	110.4	S93 Y95 Q96 I98 P113	S93-L117 WeakPolarHBondContact O-CA 3.17Å; Y95-L117 HydrophobicContact CD1-CB 3.99Å; Y95-L117 HydrophobicContact CD1-CD1 4.46Å; Y95-L117 HydrophobicContact CE1-CB 4.11Å; Y95-L117 HydrophobicContact CG-CB 4.48Å; Q96-L117 HydrophobicContact CG-CD2 4.1Å; I98-L117 HydrophobicContact CD1-CD1 4.37Å; I98-L117 HydrophobicContact CG1-CD1 4.47Å; P113-L117 HydrophobicContact CB-CD2 3.87Å; P113-L117 HydrophobicContact CG-CD2 3.81Å
118	S	98.7	Very high	98.5	Very high	28 Å²	28	32.2 Å²	32.2	20%	0.196	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	156	177	-167.3	0	0	0	0	111.7	N92 S93 Y95 D120 C121	N92-S118 WeakPolarHBondContact ND2-CB 3.18Å; S93-S118 PolarHBondContact O-N 3.18Å; Y95-S118 VanDerWaalsContact CD2-C 3.4Å; Y95-S118 PolarHBondContact N-O 2.94Å; S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 PolarHBondContact OG-N 2.76Å; S118-C121 WeakPolarHBondContact O-CB 3.39Å
119	E	98.6	Very high	98.5	Very high	28 Å²	28	32.3 Å²	32.3	13%	0.131	17%	0.166	C	C	.	.	S	Bend	trans	-75.8	-26.4	165.9	-65.6	-171.5	91.5	0	0	111.3	P66 L67 R71 Y95 C121 P298	P66-E119 VanDerWaalsContact CD-O 3.29Å; P66-E119 WeakPolarHBondContact CD-O 3.48Å; P66-E119 WeakPolarHBondContact CG-O 3.24Å; L67-E119 HydrophobicContact CD2-CB 3.49Å; L67-E119 VanDerWaalsContact CD2-CB 3.49Å; R71-E119 IonicContact CZ-OE1 3.83Å; R71-E119 IonicContact CZ-OE2 3.3Å; R71-E119 IonicContact NE-OE1 3Å; R71-E119 PolarHBondContact NE-OE1 3.32Å; R71-E119 IonicContact NE-OE2 2.94Å; R71-E119 VanDerWaalsContact NH2-CD 3.28Å; R71-E119 IonicContact NH2-OE1 2.93Å; R71-E119 PolarHBondContact NH2-OE1 2.77Å; R71-E119 IonicContact NH2-OE2 2.67Å; R71-E119 PolarHBondContact NH2-OE2 3.45Å; Y95-E119 HydrophobicContact CD2-CB 4.4Å; Y95-E119 HydrophobicContact CD2-CG 3.55Å; Y95-E119 HydrophobicContact CE2-CG 3.89Å; E119-C121 PolarHBondContact O-N 3.03Å; E119-P298 HydrophobicContact CG-CB 4.41Å; E119-P298 HydrophobicContact CG-CG 3.84Å; E119-P298 WeakPolarHBondContact OE2-CG 3.34Å
120	D	98.6	Very high	98.3	Very high	42 Å²	42	29.3 Å²	29.3	23%	0.225	16%	0.157	C	C	.	.			trans	-77.5	77.9	165.8	-175.3	7.7	0	0	0	108.9	P65 S118 Y123	P65-D120 HydrophobicContact CB-CB 3.97Å; P65-D120 HydrophobicContact CG-CB 4.44Å; P65-D120 WeakPolarHBondContact CG-OD1 3.1Å; S118-D120 VanDerWaalsContact C-N 3.33Å; S118-D120 PolarHBondContact OG-N 2.76Å; D120-Y123 WeakPolarHBondContact O-CE2 3.05Å; D120-Y123 WeakPolarHBondContact OD1-CE2 3.39Å; D120-Y123 PolarHBondContact OD1-OH 2.83Å; D120-Y123 PolarHBondContact OD2-OH 3.2Å
121	C	98.8	Very high	98.1	Very high	1 Å²	1	32.4 Å²	32.4	1%	0.007	18%	0.18	C	C	.	.			trans	-127.8	0.8	-175.2	68.8	0	0	0	0	114.6	C94 S118 E119 Y123 N174	C94-C121 VanDerWaalsContact CA-CB 3.46Å; C94-C121 WeakPolarHBondContact CA-SG 3.43Å; C94-C121 HydrophobicContact CB-CB 3.81Å; C94-C121 WeakPolarHBondContact CB-SG 3.27Å; C94-C121 WeakPolarHBondContact SG-CB 3.03Å; C94-C121 CovalentContact SG-SG 2.04Å; C94-C121 PolarHBondContact SG-SG 3.15Å; S118-C121 WeakPolarHBondContact O-CB 3.39Å; E119-C121 PolarHBondContact O-N 3.03Å; C121-Y123 VanDerWaalsContact C-N 3.28Å; C121-Y123 PolarHBondContact O-N 3.31Å; C121-N174 WeakPolarHBondContact O-CB 3.45Å
122	L	98.9	Very high	98	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	19%	0.194	C	C	.	.			trans	-79.6	71.7	-175.1	-57	-171.7	0	0	0	112.9	Y62 A63 P66 P75 R176 D199	Y62-L122 WeakPolarHBondContact CD1-O 3.4Å; Y62-L122 HydrophobicContact CE1-CB 4.07Å; Y62-L122 WeakPolarHBondContact CE1-O 3.42Å; Y62-L122 HydrophobicContact CE2-CB 4.31Å; Y62-L122 PolarHBondContact N-O 2.93Å; A63-L122 HydrophobicContact CB-CB 3.87Å; A63-L122 HydrophobicContact CB-CD1 3.56Å; A63-L122 HydrophobicContact CB-CG 4.38Å; P66-L122 HydrophobicContact CB-CD1 4.45Å; P66-L122 HydrophobicContact CG-CD1 3.91Å; P66-L122 HydrophobicContact CG-CG 4.12Å; P75-L122 HydrophobicContact CB-CD1 4Å; L122-R176 HydrophobicContact CD2-CG 4.13Å; L122-D199 HydrophobicContact CD2-CB 4.15Å; L122-D199 WeakPolarHBondContact CD2-OD2 3.48Å
123	Y	98.9	Very high	97.9	Very high	28 Å²	28	35.2 Å²	35.2	11%	0.11	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	156.7	-178	-62.8	-93.5	0	0	0	111.9	G59 I60 P61 A91 D120 C121 N174	G59-Y123 WeakPolarHBondContact O-CD1 3.25Å; I60-Y123 CarbonylContact O-C 3.5Å; I60-Y123 VanDerWaalsContact O-CA 3.32Å; I60-Y123 WeakPolarHBondContact O-CA 3.21Å; P61-Y123 HydrophobicContact CB-CD1 3.86Å; P61-Y123 HydrophobicContact CB-CE1 3.64Å; P61-Y123 HydrophobicContact CG-CE1 4.36Å; A91-Y123 HydrophobicContact CB-CD1 3.75Å; A91-Y123 HydrophobicContact CB-CD2 3.44Å; A91-Y123 VanDerWaalsContact CB-CD2 3.44Å; A91-Y123 HydrophobicContact CB-CE1 4.33Å; A91-Y123 HydrophobicContact CB-CE2 4.11Å; A91-Y123 HydrophobicContact CB-CG 3.28Å; D120-Y123 WeakPolarHBondContact O-CE2 3.05Å; D120-Y123 WeakPolarHBondContact OD1-CE2 3.39Å; D120-Y123 PolarHBondContact OD1-OH 2.83Å; D120-Y123 PolarHBondContact OD2-OH 3.2Å; C121-Y123 VanDerWaalsContact C-N 3.28Å; C121-Y123 PolarHBondContact O-N 3.31Å; Y123-N174 PolarHBondContact O-N 2.04Å
124	L	98.9	Very high	97.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	160.9	173.7	61.3	79.7	0	0	0	112.2	G59 I60 Y62 V126 V171 S172 M173 A203 W206	G59-L124 PolarHBondContact N-O 2.73Å; I60-L124 HydrophobicContact CB-CD1 3.92Å; I60-L124 HydrophobicContact CB-CG 4.46Å; I60-L124 HydrophobicContact CD1-CD1 4.15Å; I60-L124 HydrophobicContact CG2-CD1 4.46Å; I60-L124 PolarHBondContact N-O 3.38Å; I60-L124 PolarHBondContact O-N 3.14Å; Y62-L124 HydrophobicContact CD1-CB 4.11Å; Y62-L124 HydrophobicContact CD1-CD2 3.9Å; Y62-L124 HydrophobicContact CD1-CG 4.09Å; Y62-L124 HydrophobicContact CG-CD2 4.02Å; L124-V126 HydrophobicContact CD1-CG2 3.87Å; L124-V171 HydrophobicContact CD1-CG1 4.49Å; L124-S172 CarbonylContact C-O 3.55Å; L124-S172 WeakPolarHBondContact CA-O 3.29Å; L124-S172 WeakPolarHBondContact CB-O 3.21Å; L124-M173 HydrophobicContact CB-CB 3.91Å; L124-A203 HydrophobicContact CD2-CB 4.31Å; L124-W206 HydrophobicContact CD1-CD2 4.31Å; L124-W206 HydrophobicContact CD1-CE3 3.85Å; L124-W206 HydrophobicContact CD1-CH2 3.74Å; L124-W206 HydrophobicContact CD1-CZ2 4.19Å; L124-W206 HydrophobicContact CD1-CZ3 3.55Å; L124-W206 HydrophobicContact CD2-CB 4.26Å; L124-W206 HydrophobicContact CD2-CD2 3.65Å; L124-W206 HydrophobicContact CD2-CE3 3.45Å; L124-W206 VanDerWaalsContact CD2-CE3 3.45Å; L124-W206 HydrophobicContact CD2-CG 4Å; L124-W206 HydrophobicContact CD2-CZ3 4.05Å; L124-W206 HydrophobicContact CG-CE3 4.3Å; L124-W206 HydrophobicContact CG-CZ3 4.48Å
125	N	98.9	Very high	97.7	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.4	-179.8	-47.8	-63.4	0	0	0	109.7	Y57 L58 G59 Y90 W127 S152 V171 S172	Y57-N125 CarbonylContact O-C 3.2Å; Y57-N125 VanDerWaalsContact O-CA 3.25Å; Y57-N125 WeakPolarHBondContact O-CA 3.38Å; L58-N125 WeakPolarHBondContact CA-OD1 3.24Å; L58-N125 HydrophobicContact CD2-CB 3.91Å; G59-N125 PolarHBondContact N-OD1 3.08Å; Y90-N125 WeakPolarHBondContact CD1-OD1 3.37Å; N125-W127 HydrophobicContact CB-CE3 4.35Å; N125-W127 HydrophobicContact CB-CH2 3.5Å; N125-W127 HydrophobicContact CB-CZ2 4.3Å; N125-W127 HydrophobicContact CB-CZ3 3.53Å; N125-S152 PolarHBondContact ND2-OG 2.93Å; N125-V171 WeakPolarHBondContact O-CA 3.42Å; N125-V171 WeakPolarHBondContact O-CG1 3.37Å; N125-S172 PolarHBondContact N-O 3.28Å; N125-S172 PolarHBondContact ND2-OG 3.34Å; N125-S172 VanDerWaalsContact ND2-OG 3.13Å; N125-S172 PolarHBondContact O-N 2.97Å; N125-S172 VanDerWaalsContact O-N 3.09Å
126	V	98.9	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	124.5	178.6	-176	0	0	0	0	110	S56 Y57 I60 L124 I169 V170 V171 W206 I211 F214	S56-V126 CarbonylContact C-O 3.08Å; S56-V126 WeakPolarHBondContact CA-O 3.49Å; Y57-V126 HydrophobicContact CD2-CB 4.41Å; Y57-V126 PolarHBondContact N-O 3.43Å; Y57-V126 PolarHBondContact O-N 3.47Å; I60-V126 HydrophobicContact CD1-CG2 4.1Å; L124-V126 HydrophobicContact CD1-CG2 3.87Å; V126-I169 HydrophobicContact CG1-CG2 3.83Å; V126-V170 CarbonylContact C-O 3.57Å; V126-V170 WeakPolarHBondContact CA-O 3.46Å; V126-V171 HydrophobicContact CG1-CG2 4.47Å; V126-V171 HydrophobicContact CG2-CG1 4.49Å; V126-V171 HydrophobicContact CG2-CG2 4.25Å; V126-W206 HydrophobicContact CG2-CH2 4.13Å; V126-W206 HydrophobicContact CG2-CZ3 4.14Å; V126-I211 HydrophobicContact CG1-CD1 4.19Å; V126-F214 HydrophobicContact CB-CD1 4.48Å; V126-F214 HydrophobicContact CG1-CB 4.4Å; V126-F214 HydrophobicContact CG1-CD1 3.97Å; V126-F214 HydrophobicContact CG1-CG 4.21Å
127	W	98.9	Very high	97.7	Very high	1 Å²	1	38.6 Å²	38.6	0%	0.004	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	121.6	169	-63.6	-103.1	0	0	0	109.5	V54 L58 Y90 N125 D158 A163 I169 V170 S172	V54-W127 HydrophobicContact CG1-CB 4.04Å; L58-W127 HydrophobicContact CD2-CH2 4.34Å; L58-W127 HydrophobicContact CD2-CZ2 3.76Å; Y90-W127 HydrophobicContact CE1-CH2 4.19Å; Y90-W127 HydrophobicContact CE1-CZ2 4.04Å; Y90-W127 WeakPolarHBondContact OH-CZ2 3.39Å; N125-W127 HydrophobicContact CB-CE3 4.35Å; N125-W127 HydrophobicContact CB-CH2 3.5Å; N125-W127 HydrophobicContact CB-CZ2 4.3Å; N125-W127 HydrophobicContact CB-CZ3 3.53Å; W127-D158 PolarHBondContact NE1-OD1 3.42Å; W127-A163 HydrophobicContact CB-CB 3.95Å; W127-I169 WeakPolarHBondContact O-CA 3.44Å; W127-V170 HydrophobicContact CB-CB 4.45Å; W127-V170 HydrophobicContact CE3-CB 4.19Å; W127-V170 HydrophobicContact CE3-CG1 4.22Å; W127-V170 PolarHBondContact N-O 3.02Å; W127-V170 PolarHBondContact O-N 3.03Å; W127-S172 WeakPolarHBondContact CZ3-OG 2.86Å
128	T	98.1	Very high	97.7	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.025	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.9	178.5	-171.5	0	0	0	0	111	V54 T55 Y57 P133 F214	V54-T128 WeakPolarHBondContact CG1-O 3.4Å; T55-T128 HydrophobicContact CG2-CG2 4.48Å; T55-T128 PolarHBondContact N-O 3.43Å; T55-T128 PolarHBondContact O-N 2.95Å; Y57-T128 HydrophobicContact CE2-CG2 3.95Å; T128-P133 WeakPolarHBondContact OG1-CD 3.32Å; T128-F214 PolarHBondContact OG1-O 3.48Å
129	P	96.7	Very high	97.7	Very high	3 Å²	3	35.2 Å²	35.2	2%	0.019	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	142.8	178.4	22.6	-29.3	0	0	0	111.2	P131 K132 P133 V168	P129-P131 CarbonylContact O-C 3.47Å; P129-P131 VanDerWaalsContact O-C 3.26Å; P129-K132 WeakPolarHBondContact O-CA 3.46Å; P129-K132 PolarHBondContact O-N 2.71Å; P129-P133 HydrophobicContact CG-CB 4.31Å; P129-P133 HydrophobicContact CG-CG 3.79Å; P129-P133 WeakPolarHBondContact O-CD 3.43Å; P129-V168 WeakPolarHBondContact CD-O 3.34Å
130	A	94.1	Very high	97.7	Very high	26 Å²	26	33.9 Å²	33.9	22%	0.215	18%	0.178	C	C	.	.	S	Bend	trans	-99.2	138.4	167.6	0	0	0	0	0	110.7	T53 R167	T53-A130 HydrophobicContact CG2-CB 4.08Å; T53-A130 WeakPolarHBondContact O-CB 3.29Å; T53-A130 PolarHBondContact O-N 3.17Å; A130-R167 PolarHBondContact O-NH1 3.48Å
131	P	94.4	Very high	97.7	Very high	116 Å²	116	31.9 Å²	31.9	75%	0.753	17%	0.167	S	C	*	.	S	Bend	cis	-64.5	152.7	-7.8	29.9	-35.7	0	0	0	111.8	P129	P129-P131 CarbonylContact O-C 3.47Å; P129-P131 VanDerWaalsContact O-C 3.26Å
132	K	95.3	Very high	97.8	Very high	125 Å²	125	31.9 Å²	31.9	54%	0.543	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-50.2	127	-175.6	-176.2	-178.1	-179.8	177.2	0	110.8	P129 A213	P129-K132 WeakPolarHBondContact O-CA 3.46Å; P129-K132 PolarHBondContact O-N 2.71Å; K132-A213 WeakPolarHBondContact CE-O 3.32Å; K132-A213 PolarHBondContact NZ-O 2.68Å
133	P	96.5	Very high	97.8	Very high	27 Å²	27	31.9 Å²	31.9	18%	0.175	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-72.1	161.8	-179.7	30.8	-33.4	0	0	0	110.9	T128 P129 A136 I169 G215	T128-P133 WeakPolarHBondContact OG1-CD 3.32Å; P129-P133 HydrophobicContact CG-CB 4.31Å; P129-P133 HydrophobicContact CG-CG 3.79Å; P129-P133 WeakPolarHBondContact O-CD 3.43Å; P133-A136 HydrophobicContact CB-CB 3.63Å; P133-A136 HydrophobicContact CG-CB 3.68Å; P133-I169 HydrophobicContact CG-CD1 4.02Å; P133-I169 HydrophobicContact CG-CG1 4.33Å; P133-G215 WeakPolarHBondContact O-CA 3.48Å
134	K	94.6	Very high	97.7	Very high	205 Å²	205	30.7 Å²	30.7	89%	0.891	16%	0.163	S	C	*	.	S	Bend	trans	-89.2	-37.1	176.2	-67.4	-175	177.8	-178.5	0	113.2	G215	K134-G215 CarbonylContact C-O 3.44Å
135	N	97.4	Very high	97.6	Very high	101 Å²	101	31.9 Å²	31.9	54%	0.54	18%	0.176	S	C	.	.	S	Bend	trans	-157.2	47.5	-172	-160.1	35	0	0	0	111.3	G215 N217	N135-G215 WeakPolarHBondContact CA-O 3.5Å; N135-G215 PolarHBondContact N-O 3.17Å; N135-N217 PolarHBondContact ND2-ND2 2.95Å; N135-N217 WeakPolarHBondContact OD1-CA 3.45Å; N135-N217 WeakPolarHBondContact OD1-CB 3.35Å
136	A	98.6	Very high	97.5	Very high	12 Å²	12	32.7 Å²	32.7	10%	0.099	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144.1	-175.8	0	0	0	0	0	111.9	P133 I169 G215 G216 N217	P133-A136 HydrophobicContact CB-CB 3.63Å; P133-A136 HydrophobicContact CG-CB 3.68Å; A136-I169 HydrophobicContact CB-CD1 4.24Å; A136-I169 HydrophobicContact CB-CG1 4.32Å; A136-G215 PolarHBondContact N-O 3.45Å; A136-G216 CarbonylContact O-C 3.59Å; A136-G216 WeakPolarHBondContact O-CA 3.46Å; A136-N217 PolarHBondContact O-N 3.46Å
137	T	98.9	Very high	97.4	Very high	17 Å²	17	32.7 Å²	32.7	10%	0.104	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	140.6	165.1	-65.1	0	0	0	0	110.2	V168 I169 S220 A504 K505	T137-V168 WeakPolarHBondContact O-CA 3.3Å; T137-V168 WeakPolarHBondContact O-CB 3.49Å; T137-I169 PolarHBondContact O-N 3.23Å; T137-S220 PolarHBondContact OG1-OG 3.21Å; T137-A504 HydrophobicContact CG2-CB 3.7Å; T137-A504 WeakPolarHBondContact CG2-O 3.07Å; T137-K505 HydrophobicContact CG2-CG 4.18Å; T137-K505 WeakPolarHBondContact OG1-CG 3.43Å
138	V	98.9	Very high	97.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.9	-179.5	-174.2	0	0	0	0	108.5	V140 I169 V171 V207 I211 S220 V221 T222	V138-V140 HydrophobicContact CG1-CG2 3.97Å; V138-I169 CarbonylContact C-O 3.52Å; V138-I169 WeakPolarHBondContact CA-O 3.4Å; V138-I169 HydrophobicContact CG1-CG2 4.34Å; V138-I169 HydrophobicContact CG2-CB 4.44Å; V138-V171 HydrophobicContact CG1-CG2 3.85Å; V138-V207 HydrophobicContact CG1-CG1 4.2Å; V138-I211 HydrophobicContact CG1-CD1 4.47Å; V138-I211 HydrophobicContact CG1-CG1 4.04Å; V138-I211 HydrophobicContact CG2-CG1 3.63Å; V138-I211 HydrophobicContact CG2-CG2 4.11Å; V138-S220 PolarHBondContact N-O 2.91Å; V138-V221 HydrophobicContact CB-CG2 4.12Å; V138-V221 HydrophobicContact CG2-CG2 4.49Å; V138-V221 CarbonylContact O-C 3.57Å; V138-V221 WeakPolarHBondContact O-CA 3.44Å; V138-T222 PolarHBondContact O-N 3.01Å
139	M	98.9	Very high	97.2	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	124.1	172	-65	-178.1	68.8	0	0	108.3	L162 V168 I169 V170 V171 T222 F224 I250 W500 A504	M139-L162 HydrophobicContact CE-CD2 4.19Å; M139-L162 HydrophobicContact SD-CD2 4.02Å; M139-V168 HydrophobicContact SD-CB 4.47Å; M139-V168 HydrophobicContact SD-CG1 4.37Å; M139-V168 HydrophobicContact SD-CG2 4.04Å; M139-I169 PolarHBondContact N-O 2.87Å; M139-V170 CarbonylContact O-C 3.49Å; M139-V170 WeakPolarHBondContact O-CA 3.2Å; M139-V171 PolarHBondContact O-N 3.07Å; M139-T222 CarbonylContact C-O 3.59Å; M139-T222 WeakPolarHBondContact CA-O 3.4Å; M139-F224 HydrophobicContact CB-CD1 4.03Å; M139-F224 HydrophobicContact CB-CE1 3.72Å; M139-F224 HydrophobicContact CE-CD1 4.32Å; M139-F224 HydrophobicContact CE-CD2 4.49Å; M139-F224 HydrophobicContact CE-CE1 4.47Å; M139-F224 HydrophobicContact CE-CG 4.36Å; M139-I250 HydrophobicContact CE-CD1 4.19Å; M139-W500 HydrophobicContact CE-CB 4.18Å; M139-A504 HydrophobicContact CE-CB 4.33Å; M139-A504 HydrophobicContact CG-CB 3.77Å; M139-A504 HydrophobicContact SD-CB 3.87Å
140	V	99	Very high	97.3	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.9	-175	-172.6	0	0	0	0	109.4	V138 V171 M173 L204 V207 V221 T222 L223 F224	V138-V140 HydrophobicContact CG1-CG2 3.97Å; V140-V171 CarbonylContact C-O 3.47Å; V140-V171 VanDerWaalsContact CA-O 3.31Å; V140-V171 WeakPolarHBondContact CA-O 3.21Å; V140-V171 HydrophobicContact CG1-CB 4.27Å; V140-V171 HydrophobicContact CG1-CG1 4.36Å; V140-V171 HydrophobicContact CG2-CB 4.19Å; V140-M173 HydrophobicContact CG1-CE 3.24Å; V140-L204 HydrophobicContact CB-CD2 4.37Å; V140-L204 HydrophobicContact CG1-CD2 3.85Å; V140-L204 HydrophobicContact CG2-CD2 4.46Å; V140-V207 HydrophobicContact CG2-CG1 4.46Å; V140-V207 HydrophobicContact CG2-CG2 4.41Å; V140-V221 HydrophobicContact CG2-CG1 3.69Å; V140-T222 PolarHBondContact N-O 2.98Å; V140-L223 HydrophobicContact CB-CD2 3.87Å; V140-L223 HydrophobicContact CG1-CD2 4.4Å; V140-L223 HydrophobicContact CG2-CD2 4.34Å; V140-F224 VanDerWaalsContact C-CD1 3.45Å; V140-F224 VanDerWaalsContact C-CE1 3.49Å; V140-F224 VanDerWaalsContact O-CD1 3.26Å; V140-F224 WeakPolarHBondContact O-CD1 3.23Å; V140-F224 PolarHBondContact O-N 2.89Å
141	W	98.9	Very high	97.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130	-179.8	178.7	-116.8	0	0	0	111.4	Y157 V171 M173 F224 E226 I471 F475	W141-Y157 AromaticContact CE2-CD1 3.7Å; W141-Y157 AromaticContact CE2-CE1 3.87Å; W141-Y157 HydrophobicContact CH2-CE1 4.45Å; W141-Y157 AromaticContact CZ2-CD1 3.64Å; W141-Y157 HydrophobicContact CZ2-CD1 3.64Å; W141-Y157 AromaticContact CZ2-CE1 3.41Å; W141-Y157 HydrophobicContact CZ2-CE1 3.41Å; W141-Y157 VanDerWaalsContact CZ2-CE1 3.41Å; W141-Y157 HydrophobicContact CZ2-CG 4.42Å; W141-Y157 AromaticContact NE1-CD1 3.47Å; W141-Y157 AromaticContact NE1-CD2 3.53Å; W141-Y157 AromaticContact NE1-CE1 3.81Å; W141-Y157 AromaticContact NE1-CE2 3.85Å; W141-Y157 AromaticContact NE1-CG 3.35Å; W141-V171 PolarHBondContact N-O 2.96Å; W141-M173 VanDerWaalsContact O-SD 3.39Å; W141-F224 CarbonylContact C-O 3.38Å; W141-F224 VanDerWaalsContact CA-O 3.26Å; W141-F224 WeakPolarHBondContact CA-O 3.33Å; W141-F224 HydrophobicContact CB-CD1 4.43Å; W141-F224 HydrophobicContact CB-CE1 3.72Å; W141-F224 HydrophobicContact CB-CZ 3.76Å; W141-F224 HydrophobicContact CD2-CE2 4.24Å; W141-F224 HydrophobicContact CD2-CZ 4.35Å; W141-F224 HydrophobicContact CE3-CD1 4.34Å; W141-F224 AromaticContact CE3-CD2 3.39Å; W141-F224 HydrophobicContact CE3-CD2 3.39Å; W141-F224 HydrophobicContact CE3-CE1 4.28Å; W141-F224 AromaticContact CE3-CE2 3.34Å; W141-F224 HydrophobicContact CE3-CE2 3.34Å; W141-F224 AromaticContact CE3-CG 3.9Å; W141-F224 HydrophobicContact CE3-CG 3.9Å; W141-F224 AromaticContact CE3-CZ 3.81Å; W141-F224 HydrophobicContact CE3-CZ 3.81Å; W141-F224 VanDerWaalsContact CE3-O 3.31Å; W141-F224 HydrophobicContact CG-CZ 4.39Å; W141-F224 AromaticContact CZ3-CD2 3.69Å; W141-F224 HydrophobicContact CZ3-CD2 3.69Å; W141-F224 AromaticContact CZ3-CE2 3.87Å; W141-F224 HydrophobicContact CZ3-CE2 3.87Å; W141-F224 HydrophobicContact CZ3-CG 4.42Å; W141-F224 VanDerWaalsContact N-CE1 3.33Å; W141-E226 HydrophobicContact CH2-CB 3.56Å; W141-E226 HydrophobicContact CZ2-CB 4.31Å; W141-E226 HydrophobicContact CZ3-CB 4.37Å; W141-I471 HydrophobicContact CH2-CD1 4.21Å; W141-I471 HydrophobicContact CH2-CG1 4.23Å; W141-I471 HydrophobicContact CH2-CG2 4.47Å; W141-I471 HydrophobicContact CZ2-CD1 4.29Å; W141-I471 HydrophobicContact CZ2-CG2 4.49Å; W141-F475 HydrophobicContact CB-CZ 4.15Å; W141-F475 AromaticContact CD2-CE2 3.88Å; W141-F475 HydrophobicContact CD2-CE2 3.88Å; W141-F475 AromaticContact CD2-CZ 3.57Å; W141-F475 HydrophobicContact CD2-CZ 3.57Å; W141-F475 AromaticContact CE3-CE2 3.83Å; W141-F475 HydrophobicContact CE3-CE2 3.83Å; W141-F475 AromaticContact CE3-CZ 3.81Å; W141-F475 HydrophobicContact CE3-CZ 3.81Å; W141-F475 HydrophobicContact CG-CE2 4.5Å; W141-F475 AromaticContact CG-CZ 3.73Å; W141-F475 HydrophobicContact CG-CZ 3.73Å; W141-F475 HydrophobicContact CH2-CE2 4.08Å; W141-F475 HydrophobicContact CZ2-CE2 4.19Å; W141-F475 AromaticContact CZ3-CE2 3.91Å; W141-F475 HydrophobicContact CZ3-CE2 3.91Å; W141-F475 HydrophobicContact CZ3-CZ 4.37Å
142	V	98.9	Very high	97.8	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.006	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	116.2	167.2	-170.8	0	0	0	0	107.3	M173 Y175 Q200 F224 G225 G229 V233	V142-M173 HydrophobicContact CG2-SD 4.07Å; V142-Y175 HydrophobicContact CG1-CD1 4.38Å; V142-Y175 HydrophobicContact CG1-CE1 3.9Å; V142-Q200 HydrophobicContact CG1-CG 4.33Å; V142-F224 PolarHBondContact N-O 3.33Å; V142-G225 WeakPolarHBondContact O-CA 3.48Å; V142-G229 WeakPolarHBondContact O-CA 3.4Å; V142-V233 HydrophobicContact CG2-CG2 4.3Å
143	Y	98.9	Very high	97.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.138	C	C	.	.			trans	-73.6	157.2	-177.9	56.9	-107	0	0	0	112.5	G150 M173 Y175 L177 G229	Y143-G150 VanDerWaalsContact CE2-C 3.4Å; Y143-M173 WeakPolarHBondContact CE1-O 3.43Å; Y143-Y175 HydrophobicContact CD1-CE1 4.33Å; Y143-Y175 AromaticContact CD2-CE1 3.63Å; Y143-Y175 HydrophobicContact CD2-CE1 3.63Å; Y143-Y175 HydrophobicContact CE1-CD1 4.07Å; Y143-Y175 HydrophobicContact CE1-CE1 4.06Å; Y143-Y175 AromaticContact CE2-CD1 3.92Å; Y143-Y175 HydrophobicContact CE2-CD1 3.92Å; Y143-Y175 AromaticContact CE2-CE1 3.3Å; Y143-Y175 HydrophobicContact CE2-CE1 3.3Å; Y143-Y175 AromaticContact CE2-CZ 3.65Å; Y143-Y175 HydrophobicContact CG-CE1 4.15Å; Y143-Y175 AromaticContact CZ-CD1 3.63Å; Y143-Y175 AromaticContact CZ-CE1 3.52Å; Y143-Y175 PolarHBondContact O-OH 3.11Å; Y143-Y175 VanDerWaalsContact O-OH 3.05Å; Y143-Y175 PolarHBondContact OH-N 3.04Å; Y143-Y175 VanDerWaalsContact OH-N 3.07Å; Y143-Y175 PolarHBondContact OH-O 3.48Å; Y143-L177 HydrophobicContact CE2-CD1 4.23Å; Y143-L177 HydrophobicContact CE2-CD2 4.11Å; Y143-G229 VanDerWaalsContact O-CA 3.27Å; Y143-G229 WeakPolarHBondContact O-CA 3.04Å; Y143-G229 PolarHBondContact O-N 3.34Å
144	G	98.6	Very high	98	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.031	13%	0.129	C	C	.	.			trans	-88.8	-159.4	172.2	0	0	0	0	0	114.1	E226	G144-E226 WeakPolarHBondContact CA-O 3.31Å; G144-E226 PolarHBondContact N-O 3.24Å
145	G	96.8	Very high	98.2	Very high	26 Å²	26	17.5 Å²	17.5	27%	0.268	11%	0.113	S	C	.	.	S	Bend	trans	113	32.8	-175.9	0	0	0	0	0	114	F147 Q148 T149	G145-F147 PolarHBondContact O-N 3.41Å; G145-Q148 PolarHBondContact O-N 3.4Å; G145-T149 PolarHBondContact O-N 3.36Å; G145-T149 PolarHBondContact O-OG1 3.15Å
146	G	95.6	Very high	98.2	Very high	19 Å²	19	13.1 Å²	13.1	20%	0.196	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	29.7	173.1	0	0	0	0	0	114.7	Q148 I317	G146-Q148 WeakPolarHBondContact O-CG 3.37Å; G146-Q148 PolarHBondContact O-N 2.79Å; G146-I317 WeakPolarHBondContact O-CD1 3.44Å; G146-I317 WeakPolarHBondContact O-CG1 3.35Å; G146-I317 WeakPolarHBondContact O-CG2 3.32Å
147	F	98.1	Very high	98.2	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	58	5	-172.9	-56.2	-73.5	0	0	0	115.7	G145 Y175 L177 G178 F182 A228 A231 S232 W260 I317 P321	G145-F147 PolarHBondContact O-N 3.41Å; F147-Y175 HydrophobicContact CD1-CE2 4.43Å; F147-L177 CarbonylContact O-C 3.53Å; F147-L177 VanDerWaalsContact O-CA 3.3Å; F147-L177 WeakPolarHBondContact O-CA 3.23Å; F147-L177 WeakPolarHBondContact O-CB 3.4Å; F147-L177 WeakPolarHBondContact O-CD2 3.17Å; F147-G178 PolarHBondContact O-N 3.39Å; F147-F182 HydrophobicContact CB-CD2 4.15Å; F147-F182 HydrophobicContact CB-CE2 3.8Å; F147-F182 HydrophobicContact CB-CZ 4.19Å; F147-F182 HydrophobicContact CD1-CE1 4.17Å; F147-F182 AromaticContact CD1-CE2 3.98Å; F147-F182 HydrophobicContact CD1-CE2 3.98Å; F147-F182 AromaticContact CD1-CZ 3.54Å; F147-F182 HydrophobicContact CD1-CZ 3.54Å; F147-F182 HydrophobicContact CE1-CZ 4.27Å; F147-F182 HydrophobicContact CG-CE2 4.29Å; F147-F182 HydrophobicContact CG-CZ 4.18Å; F147-A228 HydrophobicContact CD1-CB 4.12Å; F147-A228 HydrophobicContact CD2-CB 3.95Å; F147-A228 HydrophobicContact CE1-CB 4.09Å; F147-A228 HydrophobicContact CE2-CB 3.9Å; F147-A228 HydrophobicContact CG-CB 4.05Å; F147-A228 HydrophobicContact CZ-CB 3.97Å; F147-A228 WeakPolarHBondContact CZ-O 3.38Å; F147-A231 HydrophobicContact CE2-CB 4.49Å; F147-A231 HydrophobicContact CZ-CB 4.04Å; F147-S232 WeakPolarHBondContact CE1-OG 3.47Å; F147-W260 HydrophobicContact CE2-CE3 4.31Å; F147-W260 AromaticContact CE2-CZ3 3.88Å; F147-W260 HydrophobicContact CE2-CZ3 3.88Å; F147-I317 HydrophobicContact CB-CG2 4.41Å; F147-I317 HydrophobicContact CD2-CD1 3.85Å; F147-I317 HydrophobicContact CE2-CD1 4.48Å; F147-P321 HydrophobicContact CD1-CG 4.23Å; F147-P321 VanDerWaalsContact CD2-CD 3.49Å; F147-P321 HydrophobicContact CD2-CG 4.29Å; F147-P321 HydrophobicContact CE1-CG 3.75Å; F147-P321 VanDerWaalsContact CE2-CD 3.49Å; F147-P321 HydrophobicContact CE2-CG 3.84Å; F147-P321 HydrophobicContact CG-CG 4.49Å; F147-P321 HydrophobicContact CZ-CG 3.55Å
148	Q	95.4	Very high	98.1	Very high	46 Å²	46	13.1 Å²	13.1	22%	0.215	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-30.8	-176.9	-68.9	-179.7	30	0	0	112.6	Q96 G145 G146 I317	Q96-Q148 VanDerWaalsContact CB-O 3.31Å; Q96-Q148 WeakPolarHBondContact CB-O 3.39Å; G145-Q148 PolarHBondContact O-N 3.4Å; G146-Q148 WeakPolarHBondContact O-CG 3.37Å; G146-Q148 PolarHBondContact O-N 2.79Å; Q148-I317 HydrophobicContact CG-CG2 4.49Å; Q148-I317 VanDerWaalsContact NE2-CA 3.32Å
149	T	97.4	Very high	98.1	Very high	49 Å²	49	13.1 Å²	13.1	30%	0.301	9%	0.087	S	C	.	.	S	Bend	trans	-133.3	174.9	-178.2	66.4	0	0	0	0	110.5	Q96 N97 G145 L177	Q96-T149 VanDerWaalsContact OE1-CA 3.23Å; N97-T149 WeakPolarHBondContact O-CG2 3.37Å; G145-T149 PolarHBondContact O-N 3.36Å; G145-T149 PolarHBondContact O-OG1 3.15Å; T149-L177 VanDerWaalsContact C-CD1 3.41Å; T149-L177 WeakPolarHBondContact O-CD1 3.43Å
150	G	98.4	Very high	98.1	Very high	4 Å²	4	15.3 Å²	15.3	4%	0.041	10%	0.097	C	C	.	.			trans	116.7	155.9	178.5	0	0	0	0	0	113.5	Q96 Y143 L177	Q96-G150 PolarHBondContact NE2-O 2.78Å; Y143-G150 VanDerWaalsContact CE2-C 3.4Å; G150-L177 WeakPolarHBondContact O-CD1 3.46Å
151	T	98.9	Very high	98.1	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.098	C	C	.	.			trans	-155	152.9	173.4	-175.9	0	0	0	0	110.5	S93 P113 S153 L154 Y157 N174	S93-T151 VanDerWaalsContact OG-CB 3.24Å; S93-T151 WeakPolarHBondContact OG-CB 3.23Å; S93-T151 PolarHBondContact OG-OG1 3.32Å; P113-T151 HydrophobicContact CB-CG2 4.45Å; T151-S153 WeakPolarHBondContact CG2-OG 3.09Å; T151-S153 PolarHBondContact O-N 2.05Å; T151-S153 PolarHBondContact OG1-OG 2.88Å; T151-L154 HydrophobicContact CG2-CD2 3.51Å; T151-L154 HydrophobicContact CG2-CG 3.7Å; T151-Y157 VanDerWaalsContact O-CD2 3.26Å; T151-Y157 WeakPolarHBondContact O-CD2 3.36Å; T151-Y157 VanDerWaalsContact O-CE2 3.24Å; T151-Y157 WeakPolarHBondContact O-CE2 3.45Å; T151-N174 PolarHBondContact OG1-OD1 2.73Å
152	S	98.8	Very high	98	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-6.2	179.7	67.7	0	0	0	0	114.2	N125 N174	N125-S152 PolarHBondContact ND2-OG 2.93Å; S152-N174 VanDerWaalsContact CB-OD1 3.23Å; S152-N174 WeakPolarHBondContact CB-OD1 3.34Å; S152-N174 PolarHBondContact N-OD1 3.32Å; S152-N174 PolarHBondContact OG-OD1 3Å
153	S	98.8	Very high	98	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-0.1	-175.1	54.9	0	0	0	0	114.9	Y90 N114 T151	Y90-S153 VanDerWaalsContact CG-CB 3.49Å; N114-S153 PolarHBondContact ND2-O 3.29Å; N114-S153 WeakPolarHBondContact OD1-CB 3.45Å; N114-S153 PolarHBondContact OD1-O 2.92Å; N114-S153 PolarHBondContact OD1-OG 3.46Å; T151-S153 WeakPolarHBondContact CG2-OG 3.09Å; T151-S153 PolarHBondContact O-N 2.05Å; T151-S153 PolarHBondContact OG1-OG 2.88Å
154	L	98.8	Very high	98	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.11	C	C	.	.			trans	-62	142.9	-179.9	-60.1	-173.6	0	0	0	111.5	W111 N112 T151 V156 Y157	W111-L154 HydrophobicContact CE3-CD1 4.2Å; N112-L154 WeakPolarHBondContact O-CD2 3.33Å; T151-L154 HydrophobicContact CG2-CD2 3.51Å; T151-L154 HydrophobicContact CG2-CG 3.7Å; L154-V156 HydrophobicContact CB-CG2 3.96Å; L154-V156 PolarHBondContact O-N 3.23Å; L154-Y157 HydrophobicContact CB-CD2 3.71Å; L154-Y157 HydrophobicContact CB-CE2 3.89Å; L154-Y157 HydrophobicContact CB-CG 4.33Å; L154-Y157 HydrophobicContact CD1-CD2 4.31Å; L154-Y157 HydrophobicContact CD1-CE2 3.61Å; L154-Y157 HydrophobicContact CG-CD2 4.15Å; L154-Y157 HydrophobicContact CG-CE2 3.92Å; L154-Y157 PolarHBondContact O-N 3.43Å
155	P	97.4	Very high	98	Very high	85 Å²	85	20.5 Å²	20.5	55%	0.552	12%	0.12	S	C	*	.	G	3₁₀ helix	trans	-58.1	-32.4	-179.3	-26.5	35.8	0	0	0	114.4	Y157 D158	P155-Y157 PolarHBondContact O-N 2.96Å; P155-D158 WeakPolarHBondContact O-CB 3.44Å; P155-D158 PolarHBondContact O-N 3.04Å
156	V	97.7	Very high	98.1	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.055	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.3	176.4	-70.5	0	0	0	0	113.4	M110 W111 L154 I471 F475 L477	M110-V156 HydrophobicContact CE-CG1 3.44Å; M110-V156 VanDerWaalsContact CE-CG1 3.44Å; W111-V156 HydrophobicContact CH2-CG2 4.49Å; W111-V156 HydrophobicContact CZ3-CG2 3.95Å; L154-V156 HydrophobicContact CB-CG2 3.96Å; L154-V156 PolarHBondContact O-N 3.23Å; V156-I471 HydrophobicContact CB-CG2 4.31Å; V156-F475 VanDerWaalsContact O-CB 3.25Å; V156-F475 WeakPolarHBondContact O-CB 3.28Å; V156-F475 VanDerWaalsContact O-CG 3.27Å; V156-F475 WeakPolarHBondContact O-CG 3.35Å; V156-L477 HydrophobicContact CG1-CD2 4.4Å
157	Y	98.7	Very high	98.2	Very high	6 Å²	6	23.3 Å²	23.3	2%	0.024	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-100.9	12.4	178.1	-50.8	-32.6	0	0	0	113.2	W111 W141 T151 L154 P155 G159 I471 F475	W111-Y157 HydrophobicContact CZ3-CE1 4.39Å; W141-Y157 AromaticContact CE2-CD1 3.7Å; W141-Y157 AromaticContact CE2-CE1 3.87Å; W141-Y157 HydrophobicContact CH2-CE1 4.45Å; W141-Y157 AromaticContact CZ2-CD1 3.64Å; W141-Y157 HydrophobicContact CZ2-CD1 3.64Å; W141-Y157 AromaticContact CZ2-CE1 3.41Å; W141-Y157 HydrophobicContact CZ2-CE1 3.41Å; W141-Y157 VanDerWaalsContact CZ2-CE1 3.41Å; W141-Y157 HydrophobicContact CZ2-CG 4.42Å; W141-Y157 AromaticContact NE1-CD1 3.47Å; W141-Y157 AromaticContact NE1-CD2 3.53Å; W141-Y157 AromaticContact NE1-CE1 3.81Å; W141-Y157 AromaticContact NE1-CE2 3.85Å; W141-Y157 AromaticContact NE1-CG 3.35Å; T151-Y157 VanDerWaalsContact O-CD2 3.26Å; T151-Y157 WeakPolarHBondContact O-CD2 3.36Å; T151-Y157 VanDerWaalsContact O-CE2 3.24Å; T151-Y157 WeakPolarHBondContact O-CE2 3.45Å; L154-Y157 HydrophobicContact CB-CD2 3.71Å; L154-Y157 HydrophobicContact CB-CE2 3.89Å; L154-Y157 HydrophobicContact CB-CG 4.33Å; L154-Y157 HydrophobicContact CD1-CD2 4.31Å; L154-Y157 HydrophobicContact CD1-CE2 3.61Å; L154-Y157 HydrophobicContact CG-CD2 4.15Å; L154-Y157 HydrophobicContact CG-CE2 3.92Å; L154-Y157 PolarHBondContact O-N 3.43Å; P155-Y157 PolarHBondContact O-N 2.96Å; Y157-G159 PolarHBondContact O-N 3.14Å; Y157-I471 HydrophobicContact CD1-CG2 3.64Å; Y157-I471 HydrophobicContact CE1-CD1 3.86Å; Y157-I471 HydrophobicContact CE1-CG2 3.59Å; Y157-F475 VanDerWaalsContact C-CD1 3.43Å; Y157-F475 HydrophobicContact CD1-CE2 4.26Å; Y157-F475 WeakPolarHBondContact O-CD1 3.37Å; Y157-F475 WeakPolarHBondContact O-CE1 3.15Å
158	D	98.3	Very high	98.2	Very high	23 Å²	23	23.3 Å²	23.3	12%	0.123	12%	0.117	C	C	.	.			trans	-66.5	101.7	-179.1	-171.8	-12.7	0	0	0	111.2	W127 P155 K160	W127-D158 PolarHBondContact NE1-OD1 3.42Å; P155-D158 WeakPolarHBondContact O-CB 3.44Å; P155-D158 PolarHBondContact O-N 3.04Å; D158-K160 PolarHBondContact O-N 3.19Å; D158-K160 VanDerWaalsContact OD1-CB 3.28Å; D158-K160 WeakPolarHBondContact OD1-CB 3.46Å; D158-K160 VanDerWaalsContact OD1-CG 3.27Å; D158-K160 WeakPolarHBondContact OD1-CG 3.36Å; D158-K160 PolarHBondContact OD1-N 3.43Å; D158-K160 VanDerWaalsContact OD1-N 3.11Å; D158-K160 WeakPolarHBondContact OD2-CD 3.47Å; D158-K160 WeakPolarHBondContact OD2-CE 3.47Å; D158-K160 IonicContact OD2-NZ 2.73Å; D158-K160 PolarHBondContact OD2-NZ 3.13Å
159	G	98.5	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-2.9	-176.3	0	0	0	0	0	115.2	Y157 F161 L162 A163	Y157-G159 PolarHBondContact O-N 3.14Å; G159-F161 PolarHBondContact O-N 3.14Å; G159-L162 PolarHBondContact O-N 3.17Å; G159-A163 WeakPolarHBondContact O-CB 3.14Å; G159-A163 PolarHBondContact O-N 2.95Å
160	K	98.3	Very high	98.5	Very high	47 Å²	47	18.8 Å²	18.8	20%	0.204	9%	0.093	C	C	.	.	H	α-helix	trans	-62.8	-38.2	-174.3	78.1	-172.3	173.3	-144.3	0	113.2	V49 D158 R164	V49-K160 HydrophobicContact CG1-CG 4.16Å; V49-K160 HydrophobicContact CG2-CB 4.02Å; V49-K160 HydrophobicContact CG2-CD 3.94Å; V49-K160 HydrophobicContact CG2-CG 4Å; D158-K160 PolarHBondContact O-N 3.19Å; D158-K160 VanDerWaalsContact OD1-CB 3.28Å; D158-K160 WeakPolarHBondContact OD1-CB 3.46Å; D158-K160 VanDerWaalsContact OD1-CG 3.27Å; D158-K160 WeakPolarHBondContact OD1-CG 3.36Å; D158-K160 PolarHBondContact OD1-N 3.43Å; D158-K160 VanDerWaalsContact OD1-N 3.11Å; D158-K160 WeakPolarHBondContact OD2-CD 3.47Å; D158-K160 WeakPolarHBondContact OD2-CE 3.47Å; D158-K160 IonicContact OD2-NZ 2.73Å; D158-K160 PolarHBondContact OD2-NZ 3.13Å; K160-R164 WeakPolarHBondContact O-CB 3.27Å; K160-R164 PolarHBondContact O-N 3.37Å
161	F	98.5	Very high	98.5	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.022	9%	0.091	C	C	.	.	H	α-helix	trans	-73.2	-44.3	-178	-57.9	-74.9	0	0	0	110.9	V49 L50 G159 A163 R164 V165 F475 E480 M497	V49-F161 HydrophobicContact CG1-CD1 3.68Å; V49-F161 HydrophobicContact CG1-CE1 3.99Å; L50-F161 HydrophobicContact CD1-CD1 4.2Å; L50-F161 HydrophobicContact CG-CD1 4.27Å; G159-F161 PolarHBondContact O-N 3.14Å; F161-A163 PolarHBondContact O-N 2.71Å; F161-R164 PolarHBondContact O-N 3.15Å; F161-R164 VanDerWaalsContact O-N 3.12Å; F161-V165 WeakPolarHBondContact O-CB 3.28Å; F161-V165 WeakPolarHBondContact O-CG2 3.41Å; F161-V165 PolarHBondContact O-N 3.45Å; F161-F475 WeakPolarHBondContact CB-O 3.38Å; F161-E480 HydrophobicContact CE1-CB 4.38Å; F161-E480 HydrophobicContact CZ-CB 3.84Å; F161-E480 HydrophobicContact CZ-CG 4.43Å; F161-M497 HydrophobicContact CB-CE 4.18Å; F161-M497 WeakPolarHBondContact O-CE 3.26Å
162	L	98.4	Very high	98.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.9	-43.9	176	-168.4	63.4	0	0	0	111.7	M139 G159 R164 E166 V168 V170 F224 M497	M139-L162 HydrophobicContact CE-CD2 4.19Å; M139-L162 HydrophobicContact SD-CD2 4.02Å; G159-L162 PolarHBondContact O-N 3.17Å; L162-R164 PolarHBondContact O-N 3.3Å; L162-E166 HydrophobicContact CD1-CB 4.34Å; L162-E166 HydrophobicContact CD1-CG 4.13Å; L162-E166 WeakPolarHBondContact O-CB 3.38Å; L162-E166 PolarHBondContact O-N 3.17Å; L162-V168 HydrophobicContact CG-CG2 3.99Å; L162-V170 HydrophobicContact CB-CG2 4.04Å; L162-V170 HydrophobicContact CD2-CG2 3.99Å; L162-V170 HydrophobicContact CG-CG2 4.16Å; L162-F224 HydrophobicContact CD2-CZ 4.49Å; L162-M497 VanDerWaalsContact CA-CE 3.46Å; L162-M497 HydrophobicContact CB-CE 4.17Å; L162-M497 HydrophobicContact CD1-CB 3.92Å; L162-M497 HydrophobicContact CD1-CE 3.95Å; L162-M497 HydrophobicContact CD1-CG 4.07Å
163	A	98.7	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.3	-40.2	172.6	0	0	0	0	0	112.5	V54 W127 G159 F161 R167 V168 V170	V54-A163 HydrophobicContact CG1-CB 4.26Å; W127-A163 HydrophobicContact CB-CB 3.95Å; G159-A163 WeakPolarHBondContact O-CB 3.14Å; G159-A163 PolarHBondContact O-N 2.95Å; F161-A163 PolarHBondContact O-N 2.71Å; A163-R167 VanDerWaalsContact O-CA 3.32Å; A163-R167 WeakPolarHBondContact O-CA 3.22Å; A163-R167 PolarHBondContact O-N 3.31Å; A163-R167 PolarHBondContact O-NH2 3.33Å; A163-V168 VanDerWaalsContact CA-O 3.3Å; A163-V168 WeakPolarHBondContact CA-O 3.33Å; A163-V168 WeakPolarHBondContact CB-O 3.18Å; A163-V170 HydrophobicContact CB-CG2 4.35Å
164	R	98.1	Very high	98.5	Very high	68 Å²	68	18.6 Å²	18.6	26%	0.257	9%	0.091	S	C	.	.	H	α-helix	trans	-66.1	-49.2	-179.7	176.6	58.1	-173.2	89.5	-0.5	112.6	V49 L50 V54 K160 F161 L162 R167	V49-R164 HydrophobicContact CB-CB 4.16Å; V49-R164 HydrophobicContact CB-CG 4.07Å; V49-R164 HydrophobicContact CG1-CB 3.76Å; V49-R164 HydrophobicContact CG1-CG 3.88Å; V49-R164 PolarHBondContact O-NE 2.79Å; L50-R164 HydrophobicContact CB-CG 4.41Å; V54-R164 HydrophobicContact CG2-CB 3.69Å; K160-R164 WeakPolarHBondContact O-CB 3.27Å; K160-R164 PolarHBondContact O-N 3.37Å; F161-R164 PolarHBondContact O-N 3.15Å; F161-R164 VanDerWaalsContact O-N 3.12Å; L162-R164 PolarHBondContact O-N 3.3Å; R164-R167 VanDerWaalsContact O-CZ 3.28Å; R164-R167 PolarHBondContact O-NE 3.25Å; R164-R167 PolarHBondContact O-NH2 3.03Å
165	V	98.3	Very high	98.5	Very high	40 Å²	40	18.5 Å²	18.5	24%	0.242	9%	0.09	C	C	.	.	H	α-helix	trans	-83.2	-50.5	-169.3	176.7	0	0	0	0	110.3	L50 F161 L479 M497	L50-V165 HydrophobicContact CD1-CG2 3.7Å; F161-V165 WeakPolarHBondContact O-CB 3.28Å; F161-V165 WeakPolarHBondContact O-CG2 3.41Å; F161-V165 PolarHBondContact O-N 3.45Å; V165-L479 HydrophobicContact CG2-CD2 3.68Å; V165-M497 HydrophobicContact CB-CE 3.85Å; V165-M497 HydrophobicContact CG1-CE 4.34Å; V165-M497 HydrophobicContact CG2-CE 4.07Å
166	E	98.4	Very high	98.6	Very high	17 Å²	17	15 Å²	15	8%	0.079	7%	0.066	C	C	.	.	H	α-helix	trans	-93.7	-2.9	-173.8	-67.9	-57.3	139.1	0	0	113.9	L162 V168 M497 K498 A501 K505	L162-E166 HydrophobicContact CD1-CB 4.34Å; L162-E166 HydrophobicContact CD1-CG 4.13Å; L162-E166 WeakPolarHBondContact O-CB 3.38Å; L162-E166 PolarHBondContact O-N 3.17Å; E166-V168 HydrophobicContact CB-CG1 4.43Å; E166-V168 HydrophobicContact CB-CG2 4.41Å; E166-V168 PolarHBondContact O-N 2.81Å; E166-M497 HydrophobicContact CG-CB 4.27Å; E166-K498 WeakPolarHBondContact OE1-CD 3.19Å; E166-K498 VanDerWaalsContact OE2-CD 3.32Å; E166-K498 WeakPolarHBondContact OE2-CD 3.35Å; E166-K498 IonicContact OE2-NZ 3.67Å; E166-K498 PolarHBondContact OE2-NZ 3.14Å; E166-A501 HydrophobicContact CB-CB 3.47Å; E166-A501 VanDerWaalsContact CB-CB 3.47Å; E166-A501 HydrophobicContact CG-CB 3.52Å; E166-K505 PolarHBondContact O-NZ 3.5Å; E166-K505 IonicContact OE2-NZ 3.33Å
167	R	98.4	Very high	98.6	Very high	86 Å²	86	14.6 Å²	14.6	33%	0.325	6%	0.064	S	C	.	.			trans	57.1	32.3	175.7	-50	-85.3	76.4	179	-3.5	112.4	A130 A163 R164	A130-R167 PolarHBondContact O-NH1 3.48Å; A163-R167 VanDerWaalsContact O-CA 3.32Å; A163-R167 WeakPolarHBondContact O-CA 3.22Å; A163-R167 PolarHBondContact O-N 3.31Å; A163-R167 PolarHBondContact O-NH2 3.33Å; R164-R167 VanDerWaalsContact O-CZ 3.28Å; R164-R167 PolarHBondContact O-NE 3.25Å; R164-R167 PolarHBondContact O-NH2 3.03Å
168	V	98.8	Very high	98.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	6%	0.063	C	C	.	.	P	Polyproline II helix	trans	-94.3	160.8	169.5	-63.3	0	0	0	0	109.7	P129 T137 M139 L162 A163 E166 V170 A501	P129-V168 WeakPolarHBondContact CD-O 3.34Å; T137-V168 WeakPolarHBondContact O-CA 3.3Å; T137-V168 WeakPolarHBondContact O-CB 3.49Å; M139-V168 HydrophobicContact SD-CB 4.47Å; M139-V168 HydrophobicContact SD-CG1 4.37Å; M139-V168 HydrophobicContact SD-CG2 4.04Å; L162-V168 HydrophobicContact CG-CG2 3.99Å; A163-V168 VanDerWaalsContact CA-O 3.3Å; A163-V168 WeakPolarHBondContact CA-O 3.33Å; A163-V168 WeakPolarHBondContact CB-O 3.18Å; E166-V168 HydrophobicContact CB-CG1 4.43Å; E166-V168 HydrophobicContact CB-CG2 4.41Å; E166-V168 PolarHBondContact O-N 2.81Å; V168-V170 HydrophobicContact CG2-CG2 4.13Å; V168-A501 HydrophobicContact CG1-CB 4.2Å
169	I	98.9	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	129.7	164.2	-73.7	162.7	0	0	0	107.9	V126 W127 P133 A136 T137 V138 M139 V171 I211	V126-I169 HydrophobicContact CG1-CG2 3.83Å; W127-I169 WeakPolarHBondContact O-CA 3.44Å; P133-I169 HydrophobicContact CG-CD1 4.02Å; P133-I169 HydrophobicContact CG-CG1 4.33Å; A136-I169 HydrophobicContact CB-CD1 4.24Å; A136-I169 HydrophobicContact CB-CG1 4.32Å; T137-I169 PolarHBondContact O-N 3.23Å; V138-I169 CarbonylContact C-O 3.52Å; V138-I169 WeakPolarHBondContact CA-O 3.4Å; V138-I169 HydrophobicContact CG1-CG2 4.34Å; V138-I169 HydrophobicContact CG2-CB 4.44Å; M139-I169 PolarHBondContact N-O 2.87Å; I169-V171 HydrophobicContact CG2-CG2 4.13Å; I169-I211 HydrophobicContact CG2-CD1 3.85Å; I169-I211 HydrophobicContact CG2-CG1 4.33Å
170	V	98.9	Very high	98.5	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.2	174.1	-174.8	0	0	0	0	108.3	V126 W127 M139 L162 A163 V168 F224	V126-V170 CarbonylContact C-O 3.57Å; V126-V170 WeakPolarHBondContact CA-O 3.46Å; W127-V170 HydrophobicContact CB-CB 4.45Å; W127-V170 HydrophobicContact CE3-CB 4.19Å; W127-V170 HydrophobicContact CE3-CG1 4.22Å; W127-V170 PolarHBondContact N-O 3.02Å; W127-V170 PolarHBondContact O-N 3.03Å; M139-V170 CarbonylContact O-C 3.49Å; M139-V170 WeakPolarHBondContact O-CA 3.2Å; L162-V170 HydrophobicContact CB-CG2 4.04Å; L162-V170 HydrophobicContact CD2-CG2 3.99Å; L162-V170 HydrophobicContact CG-CG2 4.16Å; A163-V170 HydrophobicContact CB-CG2 4.35Å; V168-V170 HydrophobicContact CG2-CG2 4.13Å; V170-F224 HydrophobicContact CG1-CZ 4.5Å
171	V	99	Very high	98.5	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	141.3	172.8	-177.2	0	0	0	0	108	L124 N125 V126 V138 M139 V140 W141 I169 V207 I211	L124-V171 HydrophobicContact CD1-CG1 4.49Å; N125-V171 WeakPolarHBondContact O-CA 3.42Å; N125-V171 WeakPolarHBondContact O-CG1 3.37Å; V126-V171 HydrophobicContact CG1-CG2 4.47Å; V126-V171 HydrophobicContact CG2-CG1 4.49Å; V126-V171 HydrophobicContact CG2-CG2 4.25Å; V138-V171 HydrophobicContact CG1-CG2 3.85Å; M139-V171 PolarHBondContact O-N 3.07Å; V140-V171 CarbonylContact C-O 3.47Å; V140-V171 VanDerWaalsContact CA-O 3.31Å; V140-V171 WeakPolarHBondContact CA-O 3.21Å; V140-V171 HydrophobicContact CG1-CB 4.27Å; V140-V171 HydrophobicContact CG1-CG1 4.36Å; V140-V171 HydrophobicContact CG2-CB 4.19Å; W141-V171 PolarHBondContact N-O 2.96Å; I169-V171 HydrophobicContact CG2-CG2 4.13Å; V171-V207 HydrophobicContact CG1-CG2 3.95Å; V171-V207 HydrophobicContact CG2-CG2 4.38Å; V171-I211 HydrophobicContact CG2-CD1 3.82Å
172	S	98.9	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.1	168.9	63.4	0	0	0	0	109.4	L124 N125 W127	L124-S172 CarbonylContact C-O 3.55Å; L124-S172 WeakPolarHBondContact CA-O 3.29Å; L124-S172 WeakPolarHBondContact CB-O 3.21Å; N125-S172 PolarHBondContact N-O 3.28Å; N125-S172 PolarHBondContact ND2-OG 3.34Å; N125-S172 VanDerWaalsContact ND2-OG 3.13Å; N125-S172 PolarHBondContact O-N 2.97Å; N125-S172 VanDerWaalsContact O-N 3.09Å; W127-S172 WeakPolarHBondContact CZ3-OG 2.86Å
173	M	98.9	Very high	98.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	151.6	177.7	78.5	-67.6	-66.4	0	0	112.2	Y62 L124 V140 W141 V142 Y143 A203 L204	Y62-M173 HydrophobicContact CE1-CB 4.18Å; L124-M173 HydrophobicContact CB-CB 3.91Å; V140-M173 HydrophobicContact CG1-CE 3.24Å; W141-M173 VanDerWaalsContact O-SD 3.39Å; V142-M173 HydrophobicContact CG2-SD 4.07Å; Y143-M173 WeakPolarHBondContact CE1-O 3.43Å; M173-A203 HydrophobicContact CB-CB 3.92Å; M173-A203 HydrophobicContact CE-CB 4.03Å; M173-A203 HydrophobicContact CG-CB 3.86Å; M173-L204 HydrophobicContact CE-CD2 4.39Å
174	N	98.9	Very high	98.4	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.016	5%	0.049	C	C	.	.			trans	-82.1	143.5	160.2	-70.2	-5.9	0	0	0	109.7	Y62 N92 C121 Y123 T151 S152	Y62-N174 PolarHBondContact OH-O 3.32Å; N92-N174 PolarHBondContact O-ND2 2.9Å; C121-N174 WeakPolarHBondContact O-CB 3.45Å; Y123-N174 PolarHBondContact O-N 2.04Å; T151-N174 PolarHBondContact OG1-OD1 2.73Å; S152-N174 VanDerWaalsContact CB-OD1 3.23Å; S152-N174 WeakPolarHBondContact CB-OD1 3.34Å; S152-N174 PolarHBondContact N-OD1 3.32Å; S152-N174 PolarHBondContact OG-OD1 3Å
175	Y	98.9	Very high	98.3	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.037	C	C	.	.			trans	-136.9	151.5	170.8	65	-88.1	0	0	0	109.1	C94 V142 Y143 F147 L177 F182 Q200	C94-Y175 PolarHBondContact SG-O 2.7Å; V142-Y175 HydrophobicContact CG1-CD1 4.38Å; V142-Y175 HydrophobicContact CG1-CE1 3.9Å; Y143-Y175 HydrophobicContact CD1-CE1 4.33Å; Y143-Y175 AromaticContact CD2-CE1 3.63Å; Y143-Y175 HydrophobicContact CD2-CE1 3.63Å; Y143-Y175 HydrophobicContact CE1-CD1 4.07Å; Y143-Y175 HydrophobicContact CE1-CE1 4.06Å; Y143-Y175 AromaticContact CE2-CD1 3.92Å; Y143-Y175 HydrophobicContact CE2-CD1 3.92Å; Y143-Y175 AromaticContact CE2-CE1 3.3Å; Y143-Y175 HydrophobicContact CE2-CE1 3.3Å; Y143-Y175 AromaticContact CE2-CZ 3.65Å; Y143-Y175 HydrophobicContact CG-CE1 4.15Å; Y143-Y175 AromaticContact CZ-CD1 3.63Å; Y143-Y175 AromaticContact CZ-CE1 3.52Å; Y143-Y175 PolarHBondContact O-OH 3.11Å; Y143-Y175 VanDerWaalsContact O-OH 3.05Å; Y143-Y175 PolarHBondContact OH-N 3.04Å; Y143-Y175 VanDerWaalsContact OH-N 3.07Å; Y143-Y175 PolarHBondContact OH-O 3.48Å; F147-Y175 HydrophobicContact CD1-CE2 4.43Å; Y175-L177 HydrophobicContact CD2-CD2 4.05Å; Y175-L177 HydrophobicContact CE2-CD2 3.4Å; Y175-L177 HydrophobicContact CE2-CG 4.49Å; Y175-F182 HydrophobicContact CD2-CZ 4.49Å; Y175-F182 HydrophobicContact CE2-CE2 4.33Å; Y175-F182 HydrophobicContact CE2-CZ 4.28Å; Y175-Q200 HydrophobicContact CD1-CG 3.9Å; Y175-Q200 HydrophobicContact CD2-CG 4.42Å; Y175-Q200 HydrophobicContact CG-CG 3.79Å
176	R	98.9	Very high	97.7	Very high	10 Å²	10	8.6 Å²	8.6	4%	0.038	4%	0.041	C	C	.	.			trans	-64.3	145.9	-178.9	-73.9	171.1	-74.3	174.2	-1.8	111.5	P66 K73 L122 G181 F182 G196 D199	P66-R176 HydrophobicContact CG-CG 4.49Å; K73-R176 PolarHBondContact O-NH1 3.3Å; K73-R176 PolarHBondContact O-NH2 3.08Å; L122-R176 HydrophobicContact CD2-CG 4.13Å; R176-G181 VanDerWaalsContact CB-CA 3.46Å; R176-F182 WeakPolarHBondContact O-CE2 3.44Å; R176-G196 WeakPolarHBondContact O-CA 3.47Å; R176-D199 VanDerWaalsContact CB-OD2 3.29Å; R176-D199 WeakPolarHBondContact CB-OD2 3.29Å; R176-D199 WeakPolarHBondContact CG-OD2 3.13Å; R176-D199 IonicContact CZ-OD1 3.5Å; R176-D199 IonicContact CZ-OD2 2.69Å; R176-D199 PolarHBondContact N-OD2 3.01Å; R176-D199 IonicContact NE-OD1 3.26Å; R176-D199 PolarHBondContact NE-OD1 3.04Å; R176-D199 IonicContact NE-OD2 2.98Å; R176-D199 PolarHBondContact NE-OD2 2.74Å; R176-D199 IonicContact NH2-OD1 3.41Å; R176-D199 PolarHBondContact NH2-OD1 3.07Å; R176-D199 IonicContact NH2-OD2 3.26Å
177	L	98.6	Very high	97	Very high	1 Å²	1	12 Å²	12	1%	0.005	8%	0.08	C	C	.	.			trans	-123.8	169.9	-173.7	-61.2	165.4	0	0	0	110.6	Q96 Y143 F147 T149 G150 Y175 L180 G181	Q96-L177 HydrophobicContact CB-CD1 4.31Å; Y143-L177 HydrophobicContact CE2-CD1 4.23Å; Y143-L177 HydrophobicContact CE2-CD2 4.11Å; F147-L177 CarbonylContact O-C 3.53Å; F147-L177 VanDerWaalsContact O-CA 3.3Å; F147-L177 WeakPolarHBondContact O-CA 3.23Å; F147-L177 WeakPolarHBondContact O-CB 3.4Å; F147-L177 WeakPolarHBondContact O-CD2 3.17Å; T149-L177 VanDerWaalsContact C-CD1 3.41Å; T149-L177 WeakPolarHBondContact O-CD1 3.43Å; G150-L177 WeakPolarHBondContact O-CD1 3.46Å; Y175-L177 HydrophobicContact CD2-CD2 4.05Å; Y175-L177 HydrophobicContact CE2-CD2 3.4Å; Y175-L177 HydrophobicContact CE2-CG 4.49Å; L177-L180 PolarHBondContact O-N 3.49Å; L177-G181 PolarHBondContact O-N 2.87Å
178	G	97.3	Very high	96.7	Very high	1 Å²	1	9 Å²	9	1%	0.01	7%	0.071	C	C	.	.	H	α-helix	trans	54.2	-148.2	177.2	0	0	0	0	0	112.4	F147 L180 G181 F182 F319	F147-G178 PolarHBondContact O-N 3.39Å; G178-L180 PolarHBondContact O-N 2.86Å; G178-G181 PolarHBondContact O-N 3.21Å; G178-F182 WeakPolarHBondContact O-CB 3.46Å; G178-F182 PolarHBondContact O-N 3.21Å; G178-F319 VanDerWaalsContact C-CB 3.43Å; G178-F319 WeakPolarHBondContact O-CB 3.22Å
179	A	97.6	Very high	96.3	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.2	-36.1	176.3	0	0	0	0	0	111.9	F72 G181 F182 L183 L275 I301 E305 F319	F72-A179 WeakPolarHBondContact CD1-O 3.22Å; A179-G181 PolarHBondContact O-N 3.02Å; A179-F182 PolarHBondContact O-N 2.99Å; A179-L183 HydrophobicContact CB-CB 4.32Å; A179-L183 HydrophobicContact CB-CD1 4.37Å; A179-L183 WeakPolarHBondContact O-CB 3.43Å; A179-L183 PolarHBondContact O-N 3.27Å; A179-L275 HydrophobicContact CB-CD2 3.65Å; A179-I301 HydrophobicContact CB-CG2 3.74Å; A179-E305 HydrophobicContact CB-CG 4.45Å; A179-E305 WeakPolarHBondContact CB-OE1 3.22Å; A179-E305 PolarHBondContact N-OE1 3.11Å; A179-F319 HydrophobicContact CB-CD1 4.4Å; A179-F319 HydrophobicContact CB-CD2 3.71Å; A179-F319 HydrophobicContact CB-CE1 4.37Å; A179-F319 HydrophobicContact CB-CE2 3.65Å; A179-F319 HydrophobicContact CB-CG 4.09Å; A179-F319 HydrophobicContact CB-CZ 4.02Å
180	L	98.4	Very high	96.1	Very high	8 Å²	8	15.7 Å²	15.7	4%	0.042	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-27.4	-178.6	-59.5	175.4	0	0	0	112.7	R71 F72 Y95 L177 G178 P298 I301	R71-L180 HydrophobicContact CG-CD2 4.05Å; F72-L180 HydrophobicContact CE1-CD2 3.91Å; F72-L180 HydrophobicContact CZ-CD2 4.32Å; Y95-L180 VanDerWaalsContact CB-CD1 3.49Å; Y95-L180 HydrophobicContact CG-CD1 4.33Å; L177-L180 PolarHBondContact O-N 3.49Å; G178-L180 PolarHBondContact O-N 2.86Å; L180-P298 HydrophobicContact CD1-CB 4.35Å; L180-I301 HydrophobicContact CD2-CD1 4.03Å
181	G	98.5	Very high	96	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-103.3	-21.7	176.8	0	0	0	0	0	115.2	R176 L177 G178 A179 M195 G196	R176-G181 VanDerWaalsContact CB-CA 3.46Å; L177-G181 PolarHBondContact O-N 2.87Å; G178-G181 PolarHBondContact O-N 3.21Å; A179-G181 PolarHBondContact O-N 3.02Å; G181-M195 CarbonylContact O-C 3.48Å; G181-M195 WeakPolarHBondContact O-CA 3.31Å; G181-M195 VanDerWaalsContact O-CB 3.25Å; G181-M195 WeakPolarHBondContact O-CB 3.44Å; G181-M195 PolarHBondContact O-N 3.2Å; G181-G196 PolarHBondContact O-N 2.95Å
182	F	98.4	Very high	95.8	Very high	2 Å²	2	16.8 Å²	16.8	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-140.1	9	-165.9	-62.9	-82.2	0	0	0	114.7	F147 Y175 R176 G178 A179 A184 L197 F319 P321	F147-F182 HydrophobicContact CB-CD2 4.15Å; F147-F182 HydrophobicContact CB-CE2 3.8Å; F147-F182 HydrophobicContact CB-CZ 4.19Å; F147-F182 HydrophobicContact CD1-CE1 4.17Å; F147-F182 AromaticContact CD1-CE2 3.98Å; F147-F182 HydrophobicContact CD1-CE2 3.98Å; F147-F182 AromaticContact CD1-CZ 3.54Å; F147-F182 HydrophobicContact CD1-CZ 3.54Å; F147-F182 HydrophobicContact CE1-CZ 4.27Å; F147-F182 HydrophobicContact CG-CE2 4.29Å; F147-F182 HydrophobicContact CG-CZ 4.18Å; Y175-F182 HydrophobicContact CD2-CZ 4.49Å; Y175-F182 HydrophobicContact CE2-CE2 4.33Å; Y175-F182 HydrophobicContact CE2-CZ 4.28Å; R176-F182 WeakPolarHBondContact O-CE2 3.44Å; G178-F182 WeakPolarHBondContact O-CB 3.46Å; G178-F182 PolarHBondContact O-N 3.21Å; A179-F182 PolarHBondContact O-N 2.99Å; F182-A184 PolarHBondContact O-N 3.48Å; F182-L197 HydrophobicContact CE1-CG 4.09Å; F182-F319 HydrophobicContact CB-CB 3.9Å; F182-P321 HydrophobicContact CD1-CG 4.39Å; F182-P321 HydrophobicContact CE1-CG 3.93Å
183	L	97.7	Very high	95.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	12%	0.12	C	C	.	.			trans	-58.6	129.1	168.2	-173.7	151.8	0	0	0	109.7	F72 A179 A191 G193 M195 T272 L275 L293 F319	F72-L183 HydrophobicContact CD1-CB 3.99Å; F72-L183 HydrophobicContact CD1-CD1 4.29Å; F72-L183 HydrophobicContact CE1-CB 4.24Å; F72-L183 HydrophobicContact CE1-CD1 3.94Å; F72-L183 HydrophobicContact CZ-CD1 4.11Å; A179-L183 HydrophobicContact CB-CB 4.32Å; A179-L183 HydrophobicContact CB-CD1 4.37Å; A179-L183 WeakPolarHBondContact O-CB 3.43Å; A179-L183 PolarHBondContact O-N 3.27Å; L183-A191 HydrophobicContact CD2-CB 3.42Å; L183-A191 VanDerWaalsContact CD2-CB 3.42Å; L183-G193 WeakPolarHBondContact O-CA 3.49Å; L183-G193 PolarHBondContact O-N 3.22Å; L183-M195 WeakPolarHBondContact O-CE 3.3Å; L183-T272 HydrophobicContact CD1-CG2 4.07Å; L183-T272 HydrophobicContact CD2-CG2 3.61Å; L183-T272 HydrophobicContact CG-CG2 3.7Å; L183-L275 HydrophobicContact CD1-CD2 3.96Å; L183-L293 HydrophobicContact CD1-CD1 3.97Å; L183-F319 HydrophobicContact CB-CD1 4.49Å; L183-F319 HydrophobicContact CB-CE1 4.42Å; L183-F319 HydrophobicContact CG-CE1 4.47Å
184	A	96.8	Very high	95.7	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	12%	0.12	C	C	.	.	B	Isolated β-bridge	trans	-137.9	127.8	-172.2	0	0	0	0	0	111.7	F182 A268 T272 T322	F182-A184 PolarHBondContact O-N 3.48Å; A184-A268 HydrophobicContact CB-CB 4.02Å; A184-T272 PolarHBondContact N-OG1 3.15Å; A184-T272 PolarHBondContact O-OG1 3.43Å; A184-T322 HydrophobicContact CB-CG2 3.78Å
185	L	94.7	Very high	95.7	Very high	3 Å²	3	16.6 Å²	16.6	2%	0.016	12%	0.119	C	C	.	.			trans	-119.9	88	159.6	-66	-179.2	0	0	0	106.5	G187 N188 A191 R269 T272 D286 M289 I290	L185-G187 PolarHBondContact O-N 3.19Å; L185-N188 HydrophobicContact CB-CB 3.86Å; L185-N188 WeakPolarHBondContact O-CB 3.21Å; L185-N188 PolarHBondContact O-N 3.23Å; L185-A191 PolarHBondContact N-O 2.9Å; L185-R269 HydrophobicContact CD2-CG 3.88Å; L185-T272 HydrophobicContact CD1-CG2 4.36Å; L185-T272 HydrophobicContact CD2-CG2 3.67Å; L185-T272 HydrophobicContact CG-CG2 3.86Å; L185-D286 HydrophobicContact CD1-CB 3.9Å; L185-M289 HydrophobicContact CD1-CE 4.39Å; L185-I290 HydrophobicContact CD1-CD1 4.01Å; L185-I290 HydrophobicContact CD1-CG1 4.16Å
186	P	86.6	Confident	95.7	Very high	49 Å²	49	16.6 Å²	16.6	32%	0.318	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	128.1	-176	-29.2	36.4	0	0	0	112.2	P265	P186-P265 HydrophobicContact CB-CB 4.29Å; P186-P265 HydrophobicContact CG-CB 3.86Å
187	G	83.3	Confident	95.7	Very high	88 Å²	88	16.1 Å²	16.1	91%	0.907	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	91.2	-8	-173.6	0	0	0	0	0	115.4	L185	L185-G187 PolarHBondContact O-N 3.19Å
188	N	91.6	Very high	95.7	Very high	24 Å²	24	16.6 Å²	16.6	13%	0.128	12%	0.119	C	C	.	.			trans	-98.3	125.6	175.6	-168.5	-48.6	0	0	0	111.4	L185 E190 A191 P192	L185-N188 HydrophobicContact CB-CB 3.86Å; L185-N188 WeakPolarHBondContact O-CB 3.21Å; L185-N188 PolarHBondContact O-N 3.23Å; N188-E190 VanDerWaalsContact C-N 3.3Å; N188-E190 PolarHBondContact O-N 3.27Å; N188-E190 WeakPolarHBondContact OD1-CB 3.49Å; N188-E190 PolarHBondContact OD1-N 2.94Å; N188-A191 CarbonylContact O-C 3.57Å; N188-P192 VanDerWaalsContact O-CA 3.26Å; N188-P192 WeakPolarHBondContact O-CA 3.36Å
189	S	91.5	Very high	95.8	Very high	96 Å²	96	16.6 Å²	16.6	67%	0.671	12%	0.119	S	C	*	.	S	Bend	trans	-73	-18.1	-178	55.7	0	0	0	0	114.8
190	E	94	Very high	95.8	Very high	45 Å²	45	16.6 Å²	16.6	21%	0.21	12%	0.119	C	C	.	.	S	Bend	trans	-83.2	-25.8	-178.7	-62.1	-63.5	114.4	0	0	112.4	K73 N188 I290	K73-E190 VanDerWaalsContact CE-CD 3.42Å; K73-E190 WeakPolarHBondContact CE-OE1 3.23Å; K73-E190 WeakPolarHBondContact CE-OE2 3.46Å; K73-E190 IonicContact NZ-OE1 3.24Å; K73-E190 PolarHBondContact NZ-OE1 3.09Å; K73-E190 IonicContact NZ-OE2 3.7Å; K73-E190 PolarHBondContact NZ-OE2 3.29Å; N188-E190 VanDerWaalsContact C-N 3.3Å; N188-E190 PolarHBondContact O-N 3.27Å; N188-E190 WeakPolarHBondContact OD1-CB 3.49Å; N188-E190 PolarHBondContact OD1-N 2.94Å; E190-I290 HydrophobicContact CB-CD1 3.6Å; E190-I290 HydrophobicContact CB-CG2 4.09Å
191	A	96.4	Very high	95.8	Very high	0 Å²	0	17 Å²	17	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-146.5	69.2	173.9	0	0	0	0	0	111.5	F72 L183 L185 N188 G193 I290	F72-A191 HydrophobicContact CB-CB 4.1Å; L183-A191 HydrophobicContact CD2-CB 3.42Å; L183-A191 VanDerWaalsContact CD2-CB 3.42Å; L185-A191 PolarHBondContact N-O 2.9Å; N188-A191 CarbonylContact O-C 3.57Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.16Å; A191-I290 HydrophobicContact CB-CD1 3.66Å; A191-I290 HydrophobicContact CB-CG1 4.09Å
192	P	95.2	Very high	95.9	Very high	22 Å²	22	17.4 Å²	17.4	14%	0.143	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-72.6	-16.3	-171.2	28.3	-35.3	0	0	0	114.3	N188 M195	N188-P192 VanDerWaalsContact O-CA 3.26Å; N188-P192 WeakPolarHBondContact O-CA 3.36Å; P192-M195 HydrophobicContact CG-SD 3.79Å
193	G	97.1	Very high	95.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	91.7	166.8	-169.9	0	0	0	0	0	113	L183 A191 M195	L183-G193 WeakPolarHBondContact O-CA 3.49Å; L183-G193 PolarHBondContact O-N 3.22Å; A191-G193 VanDerWaalsContact C-N 3.27Å; A191-G193 PolarHBondContact O-N 3.16Å; G193-M195 VanDerWaalsContact C-N 3.26Å; G193-M195 PolarHBondContact O-N 3.36Å
194	N	98.6	Very high	95.9	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	12%	0.123	C	C	.	.			trans	62.5	19.1	177.1	-59.8	-28	0	0	0	116.5	G196 L197 F198 P321 T322 D324 F327	N194-G196 VanDerWaalsContact C-N 3.26Å; N194-G196 PolarHBondContact O-N 2.62Å; N194-L197 HydrophobicContact CB-CB 4.34Å; N194-L197 HydrophobicContact CB-CD1 4.12Å; N194-L197 WeakPolarHBondContact O-CA 3.35Å; N194-L197 WeakPolarHBondContact O-CB 3.48Å; N194-L197 PolarHBondContact O-N 3.36Å; N194-F198 HydrophobicContact CB-CD2 4.29Å; N194-F198 HydrophobicContact CB-CE2 4.16Å; N194-F198 VanDerWaalsContact O-CD2 3.29Å; N194-F198 WeakPolarHBondContact O-CD2 3.46Å; N194-F198 PolarHBondContact O-N 3.43Å; N194-P321 WeakPolarHBondContact OD1-CA 3.48Å; N194-T322 PolarHBondContact ND2-O 3.1Å; N194-T322 PolarHBondContact OD1-N 3.08Å; N194-T322 PolarHBondContact OD1-O 2.96Å; N194-D324 PolarHBondContact ND2-OD1 3.41Å; N194-D324 PolarHBondContact ND2-OD2 2.87Å; N194-F327 HydrophobicContact CB-CB 4.35Å
195	M	98.7	Very high	96	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-56.1	-39	-179.6	-80.6	65.7	78.1	0	0	112.8	F72 K73 G181 L183 P192 G193 L197 F198 D199	F72-M195 HydrophobicContact CB-CE 4.25Å; F72-M195 WeakPolarHBondContact O-CE 3.4Å; F72-M195 VanDerWaalsContact O-CG 3.28Å; F72-M195 WeakPolarHBondContact O-CG 3.46Å; K73-M195 VanDerWaalsContact C-CG 3.47Å; K73-M195 VanDerWaalsContact O-CG 3.31Å; K73-M195 WeakPolarHBondContact O-CG 3.43Å; G181-M195 CarbonylContact O-C 3.48Å; G181-M195 WeakPolarHBondContact O-CA 3.31Å; G181-M195 VanDerWaalsContact O-CB 3.25Å; G181-M195 WeakPolarHBondContact O-CB 3.44Å; G181-M195 PolarHBondContact O-N 3.2Å; L183-M195 WeakPolarHBondContact O-CE 3.3Å; P192-M195 HydrophobicContact CG-SD 3.79Å; G193-M195 VanDerWaalsContact C-N 3.26Å; G193-M195 PolarHBondContact O-N 3.36Å; M195-L197 VanDerWaalsContact C-N 3.33Å; M195-L197 PolarHBondContact O-N 3.37Å; M195-F198 PolarHBondContact O-N 3.04Å; M195-D199 PolarHBondContact O-N 3.15Å
196	G	98.9	Very high	96.2	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-61.1	-36.2	173.1	0	0	0	0	0	113.4	R176 G181 N194 D199 Q200	R176-G196 WeakPolarHBondContact O-CA 3.47Å; G181-G196 PolarHBondContact O-N 2.95Å; N194-G196 VanDerWaalsContact C-N 3.26Å; N194-G196 PolarHBondContact O-N 2.62Å; G196-D199 WeakPolarHBondContact O-CB 3.35Å; G196-D199 PolarHBondContact O-N 3.02Å; G196-Q200 WeakPolarHBondContact O-CG 3.36Å; G196-Q200 PolarHBondContact O-N 3.11Å; G196-Q200 VanDerWaalsContact O-N 3.15Å
197	L	98.9	Very high	96.8	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-72.7	-36.3	174.2	-63.8	174.6	0	0	0	111.9	F182 N194 M195 D199 Q200 Q201 L235 P321 F327	F182-L197 HydrophobicContact CE1-CG 4.09Å; N194-L197 HydrophobicContact CB-CB 4.34Å; N194-L197 HydrophobicContact CB-CD1 4.12Å; N194-L197 WeakPolarHBondContact O-CA 3.35Å; N194-L197 WeakPolarHBondContact O-CB 3.48Å; N194-L197 PolarHBondContact O-N 3.36Å; M195-L197 VanDerWaalsContact C-N 3.33Å; M195-L197 PolarHBondContact O-N 3.37Å; L197-D199 VanDerWaalsContact C-N 3.3Å; L197-D199 PolarHBondContact O-N 3.08Å; L197-Q200 PolarHBondContact O-N 2.73Å; L197-Q201 WeakPolarHBondContact O-CB 3.18Å; L197-Q201 PolarHBondContact O-N 3.13Å; L197-L235 HydrophobicContact CD1-CD1 3.96Å; L197-L235 HydrophobicContact CD2-CD1 4.21Å; L197-P321 HydrophobicContact CD1-CB 3.94Å; L197-P321 HydrophobicContact CD1-CG 3.99Å; L197-P321 HydrophobicContact CG-CG 4.48Å; L197-F327 HydrophobicContact CB-CD1 4.45Å; L197-F327 HydrophobicContact CB-CD2 3.89Å; L197-F327 HydrophobicContact CB-CE1 4.22Å; L197-F327 HydrophobicContact CB-CE2 3.61Å; L197-F327 HydrophobicContact CB-CG 4.31Å; L197-F327 HydrophobicContact CB-CZ 3.79Å; L197-F327 HydrophobicContact CD1-CD1 3.9Å; L197-F327 HydrophobicContact CD1-CE1 3.83Å; L197-F327 HydrophobicContact CD1-CG 4.37Å; L197-F327 HydrophobicContact CD1-CZ 4.22Å; L197-F327 HydrophobicContact CG-CE1 4.49Å; L197-F327 HydrophobicContact CG-CZ 4.4Å
198	F	98.9	Very high	97.6	Very high	11 Å²	11	16.4 Å²	16.4	5%	0.048	9%	0.09	C	C	.	.	H	α-helix	trans	-67.2	-31.8	172.2	-73.8	-67.9	0	0	0	112.2	K74 P75 N194 M195 Q201 L202 D326 F327	K74-F198 HydrophobicContact CD-CD1 4.29Å; K74-F198 HydrophobicContact CD-CD2 4.12Å; K74-F198 HydrophobicContact CD-CE1 4.28Å; K74-F198 HydrophobicContact CD-CE2 4.12Å; K74-F198 HydrophobicContact CD-CG 4.22Å; K74-F198 HydrophobicContact CD-CZ 4.2Å; K74-F198 VanDerWaalsContact CE-CE2 3.45Å; K74-F198 VanDerWaalsContact CE-CZ 3.47Å; K74-F198 HydrophobicContact CG-CD2 4Å; K74-F198 HydrophobicContact CG-CE2 4.35Å; K74-F198 HydrophobicContact CG-CG 4.25Å; P75-F198 HydrophobicContact CG-CB 4.11Å; P75-F198 WeakPolarHBondContact CG-O 3.45Å; N194-F198 HydrophobicContact CB-CD2 4.29Å; N194-F198 HydrophobicContact CB-CE2 4.16Å; N194-F198 VanDerWaalsContact O-CD2 3.29Å; N194-F198 WeakPolarHBondContact O-CD2 3.46Å; N194-F198 PolarHBondContact O-N 3.43Å; M195-F198 PolarHBondContact O-N 3.04Å; F198-Q201 PolarHBondContact O-N 3.33Å; F198-L202 WeakPolarHBondContact O-CB 3.39Å; F198-L202 PolarHBondContact O-N 3.11Å; F198-D326 HydrophobicContact CZ-CB 4.27Å; F198-F327 HydrophobicContact CD1-CD2 4.18Å; F198-F327 HydrophobicContact CE1-CB 4.24Å; F198-F327 HydrophobicContact CE1-CD2 4.01Å; F198-F327 HydrophobicContact CE2-CB 4Å; F198-F327 HydrophobicContact CZ-CB 3.65Å; F198-F327 HydrophobicContact CZ-CD2 4.2Å; F198-F327 HydrophobicContact CZ-CG 4.45Å
199	D	98.9	Very high	97.9	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-60.9	-48.6	171.4	-65.9	-20.4	0	0	0	110.7	Y62 P75 L122 R176 M195 G196 L197 L202 A203	Y62-D199 WeakPolarHBondContact CE2-O 3.29Å; Y62-D199 WeakPolarHBondContact OH-CB 3.19Å; Y62-D199 PolarHBondContact OH-O 3.19Å; P75-D199 WeakPolarHBondContact CB-OD1 3.28Å; P75-D199 WeakPolarHBondContact CD-OD1 3.25Å; P75-D199 VanDerWaalsContact CG-OD1 3.23Å; P75-D199 WeakPolarHBondContact CG-OD1 3.31Å; L122-D199 HydrophobicContact CD2-CB 4.15Å; L122-D199 WeakPolarHBondContact CD2-OD2 3.48Å; R176-D199 VanDerWaalsContact CB-OD2 3.29Å; R176-D199 WeakPolarHBondContact CB-OD2 3.29Å; R176-D199 WeakPolarHBondContact CG-OD2 3.13Å; R176-D199 IonicContact CZ-OD1 3.5Å; R176-D199 IonicContact CZ-OD2 2.69Å; R176-D199 PolarHBondContact N-OD2 3.01Å; R176-D199 IonicContact NE-OD1 3.26Å; R176-D199 PolarHBondContact NE-OD1 3.04Å; R176-D199 IonicContact NE-OD2 2.98Å; R176-D199 PolarHBondContact NE-OD2 2.74Å; R176-D199 IonicContact NH2-OD1 3.41Å; R176-D199 PolarHBondContact NH2-OD1 3.07Å; R176-D199 IonicContact NH2-OD2 3.26Å; M195-D199 PolarHBondContact O-N 3.15Å; G196-D199 WeakPolarHBondContact O-CB 3.35Å; G196-D199 PolarHBondContact O-N 3.02Å; L197-D199 VanDerWaalsContact C-N 3.3Å; L197-D199 PolarHBondContact O-N 3.08Å; D199-L202 PolarHBondContact O-N 2.87Å; D199-A203 PolarHBondContact O-N 3.41Å
200	Q	98.9	Very high	98.2	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.005	7%	0.074	C	C	.	.	H	α-helix	trans	-59.6	-47.7	174.2	-63.6	168.6	13.2	0	0	110.8	V142 Y175 G196 L197 L202 A203 L204 S232 H236	V142-Q200 HydrophobicContact CG1-CG 4.33Å; Y175-Q200 HydrophobicContact CD1-CG 3.9Å; Y175-Q200 HydrophobicContact CD2-CG 4.42Å; Y175-Q200 HydrophobicContact CG-CG 3.79Å; G196-Q200 WeakPolarHBondContact O-CG 3.36Å; G196-Q200 PolarHBondContact O-N 3.11Å; G196-Q200 VanDerWaalsContact O-N 3.15Å; L197-Q200 PolarHBondContact O-N 2.73Å; Q200-L202 VanDerWaalsContact C-N 3.33Å; Q200-L202 PolarHBondContact O-N 3.16Å; Q200-A203 WeakPolarHBondContact O-CB 3.31Å; Q200-A203 PolarHBondContact O-N 2.86Å; Q200-A203 VanDerWaalsContact O-N 3.11Å; Q200-L204 WeakPolarHBondContact O-CG 3.02Å; Q200-L204 PolarHBondContact O-N 3.08Å; Q200-S232 PolarHBondContact NE2-OG 3.34Å; Q200-S232 VanDerWaalsContact OE1-CB 3.24Å; Q200-H236 WeakPolarHBondContact CB-NE2 3.34Å; Q200-H236 PolarHBondContact OE1-NE2 3.37Å
201	Q	98.9	Very high	98.5	Very high	17 Å²	17	14.4 Å²	14.4	8%	0.079	6%	0.064	C	C	.	.	H	α-helix	trans	-57.8	-43.1	178.7	-169.2	-177.9	79.5	0	0	112.3	L197 F198 L204 Q205 C239 S242 L245 F327	L197-Q201 WeakPolarHBondContact O-CB 3.18Å; L197-Q201 PolarHBondContact O-N 3.13Å; F198-Q201 PolarHBondContact O-N 3.33Å; Q201-L204 WeakPolarHBondContact O-CB 3.47Å; Q201-L204 PolarHBondContact O-N 3.44Å; Q201-Q205 WeakPolarHBondContact O-CG 3.11Å; Q201-Q205 PolarHBondContact O-N 2.92Å; Q201-C239 PolarHBondContact NE2-SG 3.06Å; Q201-S242 PolarHBondContact NE2-OG 3.15Å; Q201-L245 HydrophobicContact CG-CD1 3.69Å; Q201-F327 HydrophobicContact CB-CE2 4.42Å
202	L	98.9	Very high	98.6	Very high	8 Å²	8	17.3 Å²	17.3	4%	0.042	9%	0.089	C	C	.	.	H	α-helix	trans	-68.8	-34.1	178	-175	60.4	0	0	0	112	Y62 A63 P75 P77 F198 D199 Q200 Q205 W206	Y62-L202 HydrophobicContact CD2-CB 4.38Å; Y62-L202 HydrophobicContact CD2-CD2 4.49Å; Y62-L202 HydrophobicContact CD2-CG 4.2Å; Y62-L202 HydrophobicContact CE2-CB 4.34Å; A63-L202 HydrophobicContact CB-CD2 3.63Å; P75-L202 HydrophobicContact CB-CD2 3.76Å; P75-L202 HydrophobicContact CG-CB 4.16Å; P75-L202 HydrophobicContact CG-CD2 3.93Å; P77-L202 HydrophobicContact CG-CD1 4.29Å; F198-L202 WeakPolarHBondContact O-CB 3.39Å; F198-L202 PolarHBondContact O-N 3.11Å; D199-L202 PolarHBondContact O-N 2.87Å; Q200-L202 VanDerWaalsContact C-N 3.33Å; Q200-L202 PolarHBondContact O-N 3.16Å; L202-Q205 HydrophobicContact CD1-CB 4.5Å; L202-Q205 VanDerWaalsContact CD1-OE1 3.31Å; L202-Q205 WeakPolarHBondContact O-CB 2.97Å; L202-Q205 PolarHBondContact O-N 2.97Å; L202-W206 PolarHBondContact O-N 2.79Å
203	A	98.9	Very high	98.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.9	-40	170.3	0	0	0	0	0	111.5	Y62 L124 M173 D199 Q200 W206 V207	Y62-A203 HydrophobicContact CD1-CB 4.17Å; Y62-A203 HydrophobicContact CD2-CB 3.9Å; Y62-A203 HydrophobicContact CE1-CB 4.12Å; Y62-A203 HydrophobicContact CE2-CB 3.87Å; Y62-A203 HydrophobicContact CG-CB 4.06Å; L124-A203 HydrophobicContact CD2-CB 4.31Å; M173-A203 HydrophobicContact CB-CB 3.92Å; M173-A203 HydrophobicContact CE-CB 4.03Å; M173-A203 HydrophobicContact CG-CB 3.86Å; D199-A203 PolarHBondContact O-N 3.41Å; Q200-A203 WeakPolarHBondContact O-CB 3.31Å; Q200-A203 PolarHBondContact O-N 2.86Å; Q200-A203 VanDerWaalsContact O-N 3.11Å; A203-W206 CarbonylContact O-C 3.52Å; A203-W206 WeakPolarHBondContact O-CA 3.45Å; A203-W206 VanDerWaalsContact O-CB 3.29Å; A203-W206 WeakPolarHBondContact O-CB 3.28Å; A203-W206 PolarHBondContact O-N 2.89Å; A203-W206 VanDerWaalsContact O-N 3.1Å; A203-V207 WeakPolarHBondContact O-CG2 3.01Å; A203-V207 PolarHBondContact O-N 2.7Å
204	L	98.9	Very high	98.7	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.01	10%	0.095	C	C	.	.	H	α-helix	trans	-64.7	-40.1	173.7	-60.7	-177.1	0	0	0	112.1	V140 M173 Q200 Q201 W206 V207 Q208 L223 L245	V140-L204 HydrophobicContact CB-CD2 4.37Å; V140-L204 HydrophobicContact CG1-CD2 3.85Å; V140-L204 HydrophobicContact CG2-CD2 4.46Å; M173-L204 HydrophobicContact CE-CD2 4.39Å; Q200-L204 WeakPolarHBondContact O-CG 3.02Å; Q200-L204 PolarHBondContact O-N 3.08Å; Q201-L204 WeakPolarHBondContact O-CB 3.47Å; Q201-L204 PolarHBondContact O-N 3.44Å; L204-W206 VanDerWaalsContact C-N 3.26Å; L204-W206 PolarHBondContact O-N 2.86Å; L204-V207 WeakPolarHBondContact O-CB 3.35Å; L204-V207 PolarHBondContact O-N 2.87Å; L204-V207 VanDerWaalsContact O-N 3.16Å; L204-Q208 WeakPolarHBondContact O-CG 3.12Å; L204-Q208 PolarHBondContact O-N 3.2Å; L204-L223 HydrophobicContact CD1-CD1 3.86Å; L204-L223 HydrophobicContact CD1-CD2 4Å; L204-L223 HydrophobicContact CD2-CD2 3.41Å; L204-L223 VanDerWaalsContact CD2-CD2 3.41Å; L204-L223 HydrophobicContact CG-CD2 4.35Å; L204-L245 HydrophobicContact CB-CB 3.92Å; L204-L245 HydrophobicContact CB-CD1 3.98Å; L204-L245 HydrophobicContact CD1-CB 4.42Å
205	Q	98.9	Very high	98.7	Very high	64 Å²	64	18 Å²	18	30%	0.299	10%	0.096	S	C	.	.	H	α-helix	trans	-62.9	-33.4	170.9	-68.5	173.7	5.4	0	0	112.1	Q201 L202 R209 L245	Q201-Q205 WeakPolarHBondContact O-CG 3.11Å; Q201-Q205 PolarHBondContact O-N 2.92Å; L202-Q205 HydrophobicContact CD1-CB 4.5Å; L202-Q205 VanDerWaalsContact CD1-OE1 3.31Å; L202-Q205 WeakPolarHBondContact O-CB 2.97Å; L202-Q205 PolarHBondContact O-N 2.97Å; Q205-R209 WeakPolarHBondContact O-CB 3.35Å; Q205-R209 VanDerWaalsContact O-CG 3.3Å; Q205-R209 WeakPolarHBondContact O-CG 3.16Å; Q205-R209 PolarHBondContact O-N 3.3Å; Q205-R209 PolarHBondContact O-NE 3.3Å; Q205-R209 VanDerWaalsContact O-NE 3.08Å; Q205-L245 HydrophobicContact CG-CD1 3.84Å; Q205-L245 HydrophobicContact CG-CD2 3.81Å
206	W	98.8	Very high	98.7	Very high	3 Å²	3	18 Å²	18	1%	0.011	10%	0.097	C	C	.	.	H	α-helix	trans	-65	-44.8	171.5	-176.7	104.7	0	0	0	111.1	T37 I60 L124 V126 L202 A203 L204 Q208 R209 N210 F214	T37-W206 HydrophobicContact CG2-CZ2 4.18Å; I60-W206 HydrophobicContact CD1-CH2 4.01Å; I60-W206 HydrophobicContact CD1-CZ2 4.15Å; I60-W206 HydrophobicContact CG2-CZ2 3.76Å; L124-W206 HydrophobicContact CD1-CD2 4.31Å; L124-W206 HydrophobicContact CD1-CE3 3.85Å; L124-W206 HydrophobicContact CD1-CH2 3.74Å; L124-W206 HydrophobicContact CD1-CZ2 4.19Å; L124-W206 HydrophobicContact CD1-CZ3 3.55Å; L124-W206 HydrophobicContact CD2-CB 4.26Å; L124-W206 HydrophobicContact CD2-CD2 3.65Å; L124-W206 HydrophobicContact CD2-CE3 3.45Å; L124-W206 VanDerWaalsContact CD2-CE3 3.45Å; L124-W206 HydrophobicContact CD2-CG 4Å; L124-W206 HydrophobicContact CD2-CZ3 4.05Å; L124-W206 HydrophobicContact CG-CE3 4.3Å; L124-W206 HydrophobicContact CG-CZ3 4.48Å; V126-W206 HydrophobicContact CG2-CH2 4.13Å; V126-W206 HydrophobicContact CG2-CZ3 4.14Å; L202-W206 PolarHBondContact O-N 2.79Å; A203-W206 CarbonylContact O-C 3.52Å; A203-W206 WeakPolarHBondContact O-CA 3.45Å; A203-W206 VanDerWaalsContact O-CB 3.29Å; A203-W206 WeakPolarHBondContact O-CB 3.28Å; A203-W206 PolarHBondContact O-N 2.89Å; A203-W206 VanDerWaalsContact O-N 3.1Å; L204-W206 VanDerWaalsContact C-N 3.26Å; L204-W206 PolarHBondContact O-N 2.86Å; W206-Q208 PolarHBondContact O-N 3.44Å; W206-R209 PolarHBondContact O-N 3.3Å; W206-N210 HydrophobicContact CD2-CB 4.15Å; W206-N210 HydrophobicContact CE3-CB 4.31Å; W206-N210 HydrophobicContact CH2-CB 4.07Å; W206-N210 HydrophobicContact CZ2-CB 3.91Å; W206-N210 HydrophobicContact CZ3-CB 4.27Å; W206-N210 PolarHBondContact NE1-ND2 3.39Å; W206-N210 WeakPolarHBondContact O-CB 3.3Å; W206-N210 PolarHBondContact O-N 3.39Å; W206-N210 PolarHBondContact O-ND2 2.77Å; W206-F214 HydrophobicContact CH2-CD2 4.4Å; W206-F214 AromaticContact CH2-CE2 3.57Å; W206-F214 HydrophobicContact CH2-CE2 3.57Å; W206-F214 AromaticContact CH2-CZ 3.91Å; W206-F214 HydrophobicContact CH2-CZ 3.91Å; W206-F214 HydrophobicContact CZ2-CE2 4.15Å; W206-F214 HydrophobicContact CZ2-CZ 4.39Å
207	V	98.9	Very high	98.7	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-57.6	-51.1	176.2	171.4	0	0	0	0	110	V138 V140 V171 A203 L204 R209 N210 I211 V221	V138-V207 HydrophobicContact CG1-CG1 4.2Å; V140-V207 HydrophobicContact CG2-CG1 4.46Å; V140-V207 HydrophobicContact CG2-CG2 4.41Å; V171-V207 HydrophobicContact CG1-CG2 3.95Å; V171-V207 HydrophobicContact CG2-CG2 4.38Å; A203-V207 WeakPolarHBondContact O-CG2 3.01Å; A203-V207 PolarHBondContact O-N 2.7Å; L204-V207 WeakPolarHBondContact O-CB 3.35Å; L204-V207 PolarHBondContact O-N 2.87Å; L204-V207 VanDerWaalsContact O-N 3.16Å; V207-R209 VanDerWaalsContact C-N 3.26Å; V207-R209 PolarHBondContact O-N 2.82Å; V207-N210 PolarHBondContact O-N 2.94Å; V207-I211 HydrophobicContact CG1-CB 3.9Å; V207-I211 HydrophobicContact CG1-CG1 4.18Å; V207-I211 HydrophobicContact CG1-CG2 4Å; V207-I211 WeakPolarHBondContact O-CB 3.41Å; V207-I211 VanDerWaalsContact O-CG2 3.22Å; V207-I211 WeakPolarHBondContact O-CG2 3.45Å; V207-I211 PolarHBondContact O-N 3.19Å; V207-V221 HydrophobicContact CG1-CG2 4.23Å
208	Q	98.8	Very high	98.7	Very high	52 Å²	52	21 Å²	21	24%	0.243	11%	0.114	C	C	.	.	H	α-helix	trans	-53.7	-41.5	178.1	-74.6	-60.2	-35.4	0	0	113	L204 W206 P218 L245	L204-Q208 WeakPolarHBondContact O-CG 3.12Å; L204-Q208 PolarHBondContact O-N 3.2Å; W206-Q208 PolarHBondContact O-N 3.44Å; Q208-P218 PolarHBondContact NE2-O 3.4Å; Q208-P218 PolarHBondContact OE1-O 3.2Å; Q208-L245 HydrophobicContact CG-CB 4.39Å; Q208-L245 HydrophobicContact CG-CD2 4Å; Q208-L245 PolarHBondContact NE2-O 2.97Å
209	R	98.4	Very high	98.7	Very high	118 Å²	118	28.9 Å²	28.9	45%	0.445	15%	0.148	S	C	.	.	H	α-helix	trans	-79.9	-24.9	-176.4	-71.5	-178.5	-67.4	-176	-0.5	114.3	K38 Q205 W206 V207	K38-R209 HydrophobicContact CG-CB 4.45Å; Q205-R209 WeakPolarHBondContact O-CB 3.35Å; Q205-R209 VanDerWaalsContact O-CG 3.3Å; Q205-R209 WeakPolarHBondContact O-CG 3.16Å; Q205-R209 PolarHBondContact O-N 3.3Å; Q205-R209 PolarHBondContact O-NE 3.3Å; Q205-R209 VanDerWaalsContact O-NE 3.08Å; W206-R209 PolarHBondContact O-N 3.3Å; V207-R209 VanDerWaalsContact C-N 3.26Å; V207-R209 PolarHBondContact O-N 2.82Å
210	N	98.8	Very high	98.7	Very high	4 Å²	4	29.5 Å²	29.5	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-125.4	-24	-164.5	-60.4	-71.2	0	0	0	114.8	T37 K38 W206 V207 A212 A213 F214	T37-N210 WeakPolarHBondContact CB-OD1 3.32Å; K38-N210 WeakPolarHBondContact CB-OD1 3.47Å; K38-N210 WeakPolarHBondContact CG-OD1 3.06Å; K38-N210 PolarHBondContact N-OD1 2.86Å; W206-N210 HydrophobicContact CD2-CB 4.15Å; W206-N210 HydrophobicContact CE3-CB 4.31Å; W206-N210 HydrophobicContact CH2-CB 4.07Å; W206-N210 HydrophobicContact CZ2-CB 3.91Å; W206-N210 HydrophobicContact CZ3-CB 4.27Å; W206-N210 PolarHBondContact NE1-ND2 3.39Å; W206-N210 WeakPolarHBondContact O-CB 3.3Å; W206-N210 PolarHBondContact O-N 3.39Å; W206-N210 PolarHBondContact O-ND2 2.77Å; V207-N210 PolarHBondContact O-N 2.94Å; N210-A212 PolarHBondContact O-N 3Å; N210-A212 VanDerWaalsContact O-N 3.11Å; N210-A213 VanDerWaalsContact O-CB 3.27Å; N210-A213 WeakPolarHBondContact O-CB 3.32Å; N210-A213 PolarHBondContact O-N 3.49Å; N210-F214 WeakPolarHBondContact O-CD2 3.3Å
211	I	98.8	Very high	98.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-65.2	-24.8	-167.5	-154.5	62.3	0	0	0	113.8	V126 V138 I169 V171 V207 A213 F214 G215 G216 P218	V126-I211 HydrophobicContact CG1-CD1 4.19Å; V138-I211 HydrophobicContact CG1-CD1 4.47Å; V138-I211 HydrophobicContact CG1-CG1 4.04Å; V138-I211 HydrophobicContact CG2-CG1 3.63Å; V138-I211 HydrophobicContact CG2-CG2 4.11Å; I169-I211 HydrophobicContact CG2-CD1 3.85Å; I169-I211 HydrophobicContact CG2-CG1 4.33Å; V171-I211 HydrophobicContact CG2-CD1 3.82Å; V207-I211 HydrophobicContact CG1-CB 3.9Å; V207-I211 HydrophobicContact CG1-CG1 4.18Å; V207-I211 HydrophobicContact CG1-CG2 4Å; V207-I211 WeakPolarHBondContact O-CB 3.41Å; V207-I211 VanDerWaalsContact O-CG2 3.22Å; V207-I211 WeakPolarHBondContact O-CG2 3.45Å; V207-I211 PolarHBondContact O-N 3.19Å; I211-A213 PolarHBondContact O-N 3.1Å; I211-F214 HydrophobicContact CD1-CB 4.3Å; I211-F214 HydrophobicContact CD1-CD2 4.39Å; I211-F214 WeakPolarHBondContact O-CA 3.39Å; I211-F214 WeakPolarHBondContact O-CB 3.5Å; I211-F214 PolarHBondContact O-N 3.04Å; I211-G215 PolarHBondContact O-N 3.06Å; I211-G216 PolarHBondContact O-N 3.25Å; I211-P218 HydrophobicContact CG2-CB 4.12Å
212	A	98.6	Very high	98.7	Very high	62 Å²	62	28.6 Å²	28.6	51%	0.512	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-57.9	-36.2	171	0	0	0	0	0	112.5	N210 F214 G215 G216	N210-A212 PolarHBondContact O-N 3Å; N210-A212 VanDerWaalsContact O-N 3.11Å; A212-F214 PolarHBondContact O-N 3.37Å; A212-G215 PolarHBondContact O-N 3.3Å; A212-G216 VanDerWaalsContact CA-O 3.26Å; A212-G216 WeakPolarHBondContact CA-O 3.33Å
213	A	98.1	Very high	98.7	Very high	32 Å²	32	28.2 Å²	28.2	26%	0.264	15%	0.146	S	C	.	.	G	3₁₀ helix	trans	-66.6	-19.7	176.1	0	0	0	0	0	112.5	V35 K132 N210 I211	V35-A213 HydrophobicContact CG1-CB 3.64Å; K132-A213 WeakPolarHBondContact CE-O 3.32Å; K132-A213 PolarHBondContact NZ-O 2.68Å; N210-A213 VanDerWaalsContact O-CB 3.27Å; N210-A213 WeakPolarHBondContact O-CB 3.32Å; N210-A213 PolarHBondContact O-N 3.49Å; I211-A213 PolarHBondContact O-N 3.1Å
214	F	98.1	Very high	98.7	Very high	1 Å²	1	28.2 Å²	28.2	0%	0.004	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-94.9	-0.1	174.9	-62.5	-95.6	0	0	0	113.1	V35 T37 V42 Y57 I60 V126 T128 W206 N210 I211 A212	V35-F214 HydrophobicContact CB-CD1 4.38Å; V35-F214 HydrophobicContact CB-CE1 3.95Å; V35-F214 HydrophobicContact CB-CZ 4.09Å; V35-F214 HydrophobicContact CG1-CD1 4.16Å; V35-F214 HydrophobicContact CG1-CD2 4.03Å; V35-F214 HydrophobicContact CG1-CE1 3.89Å; V35-F214 HydrophobicContact CG1-CE2 3.75Å; V35-F214 HydrophobicContact CG1-CG 4.23Å; V35-F214 HydrophobicContact CG1-CZ 3.68Å; V35-F214 HydrophobicContact CG2-CD1 4.07Å; V35-F214 HydrophobicContact CG2-CE1 4.05Å; T37-F214 HydrophobicContact CG2-CE2 4.15Å; T37-F214 HydrophobicContact CG2-CZ 4.13Å; V42-F214 HydrophobicContact CG2-CE1 4.21Å; V42-F214 HydrophobicContact CG2-CZ 3.92Å; Y57-F214 AromaticContact CD1-CE1 3.84Å; Y57-F214 HydrophobicContact CD1-CE1 3.84Å; Y57-F214 AromaticContact CD2-CD1 3.78Å; Y57-F214 HydrophobicContact CD2-CD1 3.78Å; Y57-F214 AromaticContact CD2-CE1 3.66Å; Y57-F214 HydrophobicContact CD2-CE1 3.66Å; Y57-F214 AromaticContact CE1-CE1 3.99Å; Y57-F214 HydrophobicContact CE1-CE1 3.99Å; Y57-F214 AromaticContact CE2-CD1 3.7Å; Y57-F214 HydrophobicContact CE2-CD1 3.7Å; Y57-F214 AromaticContact CE2-CE1 3.85Å; Y57-F214 HydrophobicContact CE2-CE1 3.85Å; Y57-F214 HydrophobicContact CG-CD1 4.29Å; Y57-F214 AromaticContact CG-CE1 3.69Å; Y57-F214 HydrophobicContact CG-CE1 3.69Å; I60-F214 HydrophobicContact CD1-CE1 4.26Å; I60-F214 HydrophobicContact CD1-CZ 3.94Å; V126-F214 HydrophobicContact CB-CD1 4.48Å; V126-F214 HydrophobicContact CG1-CB 4.4Å; V126-F214 HydrophobicContact CG1-CD1 3.97Å; V126-F214 HydrophobicContact CG1-CG 4.21Å; T128-F214 PolarHBondContact OG1-O 3.48Å; W206-F214 HydrophobicContact CH2-CD2 4.4Å; W206-F214 AromaticContact CH2-CE2 3.57Å; W206-F214 HydrophobicContact CH2-CE2 3.57Å; W206-F214 AromaticContact CH2-CZ 3.91Å; W206-F214 HydrophobicContact CH2-CZ 3.91Å; W206-F214 HydrophobicContact CZ2-CE2 4.15Å; W206-F214 HydrophobicContact CZ2-CZ 4.39Å; N210-F214 WeakPolarHBondContact O-CD2 3.3Å; I211-F214 HydrophobicContact CD1-CB 4.3Å; I211-F214 HydrophobicContact CD1-CD2 4.39Å; I211-F214 WeakPolarHBondContact O-CA 3.39Å; I211-F214 WeakPolarHBondContact O-CB 3.5Å; I211-F214 PolarHBondContact O-N 3.04Å; A212-F214 PolarHBondContact O-N 3.37Å
215	G	98.3	Very high	98.7	Very high	3 Å²	3	28.1 Å²	28.1	3%	0.031	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	9.8	-177.6	0	0	0	0	0	114.8	P133 K134 N135 A136 I211 A212	P133-G215 WeakPolarHBondContact O-CA 3.48Å; K134-G215 CarbonylContact C-O 3.44Å; N135-G215 WeakPolarHBondContact CA-O 3.5Å; N135-G215 PolarHBondContact N-O 3.17Å; A136-G215 PolarHBondContact N-O 3.45Å; I211-G215 PolarHBondContact O-N 3.06Å; A212-G215 PolarHBondContact O-N 3.3Å
216	G	98.8	Very high	98.7	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.01	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	156.5	-178.1	0	0	0	0	0	114.1	A136 I211 A212 P218	A136-G216 CarbonylContact O-C 3.59Å; A136-G216 WeakPolarHBondContact O-CA 3.46Å; I211-G216 PolarHBondContact O-N 3.25Å; A212-G216 VanDerWaalsContact CA-O 3.26Å; A212-G216 WeakPolarHBondContact CA-O 3.33Å; G216-P218 WeakPolarHBondContact O-CD 3.36Å
217	N	98.8	Very high	98.7	Very high	31 Å²	31	25.8 Å²	25.8	17%	0.166	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.3	176.7	-173.6	-5.1	0	0	0	110.4	N135 A136 K219 S220	N135-N217 PolarHBondContact ND2-ND2 2.95Å; N135-N217 WeakPolarHBondContact OD1-CA 3.45Å; N135-N217 WeakPolarHBondContact OD1-CB 3.35Å; A136-N217 PolarHBondContact O-N 3.46Å; N217-K219 PolarHBondContact O-N 3.26Å; N217-K219 VanDerWaalsContact O-N 3.11Å; N217-K219 WeakPolarHBondContact OD1-CB 3.37Å; N217-K219 PolarHBondContact OD1-N 3.33Å; N217-S220 CarbonylContact O-C 3.46Å; N217-S220 PolarHBondContact O-N 3.34Å
218	P	98.6	Very high	98.7	Very high	32 Å²	32	25.8 Å²	25.8	21%	0.208	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	-17.7	176.8	25.5	-33.6	0	0	0	113.4	Q208 I211 G216 V221	Q208-P218 PolarHBondContact NE2-O 3.4Å; Q208-P218 PolarHBondContact OE1-O 3.2Å; I211-P218 HydrophobicContact CG2-CB 4.12Å; G216-P218 WeakPolarHBondContact O-CD 3.36Å; P218-V221 WeakPolarHBondContact O-CG2 3.34Å
219	K	98.8	Very high	98.7	Very high	176 Å²	176	23.3 Å²	23.3	77%	0.765	13%	0.125	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	-3.9	175.7	-56	-176.7	179.2	-177	0	114	N217 T247	N217-K219 PolarHBondContact O-N 3.26Å; N217-K219 VanDerWaalsContact O-N 3.11Å; N217-K219 WeakPolarHBondContact OD1-CB 3.37Å; N217-K219 PolarHBondContact OD1-N 3.33Å; K219-T247 PolarHBondContact O-OG1 2.95Å
220	S	98.8	Very high	98.7	Very high	12 Å²	12	17.7 Å²	17.7	8%	0.084	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	68.4	178	-179	0	0	0	0	109.6	T137 V138 N217 T247	T137-S220 PolarHBondContact OG1-OG 3.21Å; V138-S220 PolarHBondContact N-O 2.91Å; N217-S220 CarbonylContact O-C 3.46Å; N217-S220 PolarHBondContact O-N 3.34Å; S220-T247 WeakPolarHBondContact CA-OG1 3.37Å
221	V	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	127.1	179.7	177.4	0	0	0	0	108.6	V138 V140 V207 P218 L223 F246 T247 R248	V138-V221 HydrophobicContact CB-CG2 4.12Å; V138-V221 HydrophobicContact CG2-CG2 4.49Å; V138-V221 CarbonylContact O-C 3.57Å; V138-V221 WeakPolarHBondContact O-CA 3.44Å; V140-V221 HydrophobicContact CG2-CG1 3.69Å; V207-V221 HydrophobicContact CG1-CG2 4.23Å; P218-V221 WeakPolarHBondContact O-CG2 3.34Å; V221-L223 HydrophobicContact CG1-CD2 4.37Å; V221-F246 HydrophobicContact CB-CB 4.33Å; V221-F246 HydrophobicContact CG1-CB 4.05Å; V221-T247 PolarHBondContact N-OG1 3Å; V221-T247 WeakPolarHBondContact O-CA 3.39Å; V221-T247 VanDerWaalsContact O-CB 3.22Å; V221-T247 WeakPolarHBondContact O-CB 3.35Å; V221-T247 PolarHBondContact O-N 3.11Å; V221-T247 PolarHBondContact O-OG1 3.01Å; V221-R248 PolarHBondContact O-N 3.36Å
222	T	98.9	Very high	98.7	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	121.3	175.1	-58.3	0	0	0	0	108.6	V138 M139 V140 R248 I250 F503 A504	V138-T222 PolarHBondContact O-N 3.01Å; M139-T222 CarbonylContact C-O 3.59Å; M139-T222 WeakPolarHBondContact CA-O 3.4Å; V140-T222 PolarHBondContact N-O 2.98Å; T222-R248 CarbonylContact C-O 3.59Å; T222-R248 WeakPolarHBondContact CA-O 3.47Å; T222-R248 HydrophobicContact CG2-CB 4.06Å; T222-I250 HydrophobicContact CG2-CD1 4.08Å; T222-I250 HydrophobicContact CG2-CG1 3.89Å; T222-F503 HydrophobicContact CG2-CD1 4.27Å; T222-F503 HydrophobicContact CG2-CE1 4.09Å; T222-A504 HydrophobicContact CG2-CB 4.09Å; T222-A504 VanDerWaalsContact OG1-CA 3.23Å; T222-A504 WeakPolarHBondContact OG1-CA 3.44Å; T222-A504 WeakPolarHBondContact OG1-CB 3.19Å; T222-A504 PolarHBondContact OG1-O 3.49Å
223	L	99	Very high	98.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	139	169.9	-52.7	-172.9	0	0	0	108.4	V140 L204 V221 V233 H236 F246 R248 A249 I250	V140-L223 HydrophobicContact CB-CD2 3.87Å; V140-L223 HydrophobicContact CG1-CD2 4.4Å; V140-L223 HydrophobicContact CG2-CD2 4.34Å; L204-L223 HydrophobicContact CD1-CD1 3.86Å; L204-L223 HydrophobicContact CD1-CD2 4Å; L204-L223 HydrophobicContact CD2-CD2 3.41Å; L204-L223 VanDerWaalsContact CD2-CD2 3.41Å; L204-L223 HydrophobicContact CG-CD2 4.35Å; V221-L223 HydrophobicContact CG1-CD2 4.37Å; L223-V233 HydrophobicContact CB-CG1 3.93Å; L223-V233 HydrophobicContact CB-CG2 3.85Å; L223-H236 HydrophobicContact CD1-CB 4Å; L223-F246 HydrophobicContact CD1-CB 4.21Å; L223-F246 HydrophobicContact CD1-CD1 3.72Å; L223-F246 HydrophobicContact CD1-CD2 3.96Å; L223-F246 HydrophobicContact CD1-CE1 3.99Å; L223-F246 HydrophobicContact CD1-CE2 4.2Å; L223-F246 HydrophobicContact CD1-CG 3.7Å; L223-F246 HydrophobicContact CD1-CZ 4.2Å; L223-F246 HydrophobicContact CD2-CB 3.96Å; L223-F246 HydrophobicContact CD2-CG 4.36Å; L223-F246 HydrophobicContact CG-CB 3.77Å; L223-F246 HydrophobicContact CG-CD1 4.22Å; L223-F246 HydrophobicContact CG-CD2 3.84Å; L223-F246 HydrophobicContact CG-CE2 4.46Å; L223-F246 HydrophobicContact CG-CG 3.69Å; L223-R248 PolarHBondContact N-O 3.21Å; L223-A249 CarbonylContact O-C 3.56Å; L223-A249 WeakPolarHBondContact O-CA 3.22Å; L223-I250 PolarHBondContact O-N 3.03Å
224	F	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	141.7	170.9	73	-60.6	0	0	0	109.4	M139 V140 W141 V142 L162 V170 I250 V474 F475	M139-F224 HydrophobicContact CB-CD1 4.03Å; M139-F224 HydrophobicContact CB-CE1 3.72Å; M139-F224 HydrophobicContact CE-CD1 4.32Å; M139-F224 HydrophobicContact CE-CD2 4.49Å; M139-F224 HydrophobicContact CE-CE1 4.47Å; M139-F224 HydrophobicContact CE-CG 4.36Å; V140-F224 VanDerWaalsContact C-CD1 3.45Å; V140-F224 VanDerWaalsContact C-CE1 3.49Å; V140-F224 VanDerWaalsContact O-CD1 3.26Å; V140-F224 WeakPolarHBondContact O-CD1 3.23Å; V140-F224 PolarHBondContact O-N 2.89Å; W141-F224 CarbonylContact C-O 3.38Å; W141-F224 VanDerWaalsContact CA-O 3.26Å; W141-F224 WeakPolarHBondContact CA-O 3.33Å; W141-F224 HydrophobicContact CB-CD1 4.43Å; W141-F224 HydrophobicContact CB-CE1 3.72Å; W141-F224 HydrophobicContact CB-CZ 3.76Å; W141-F224 HydrophobicContact CD2-CE2 4.24Å; W141-F224 HydrophobicContact CD2-CZ 4.35Å; W141-F224 HydrophobicContact CE3-CD1 4.34Å; W141-F224 AromaticContact CE3-CD2 3.39Å; W141-F224 HydrophobicContact CE3-CD2 3.39Å; W141-F224 HydrophobicContact CE3-CE1 4.28Å; W141-F224 AromaticContact CE3-CE2 3.34Å; W141-F224 HydrophobicContact CE3-CE2 3.34Å; W141-F224 AromaticContact CE3-CG 3.9Å; W141-F224 HydrophobicContact CE3-CG 3.9Å; W141-F224 AromaticContact CE3-CZ 3.81Å; W141-F224 HydrophobicContact CE3-CZ 3.81Å; W141-F224 VanDerWaalsContact CE3-O 3.31Å; W141-F224 HydrophobicContact CG-CZ 4.39Å; W141-F224 AromaticContact CZ3-CD2 3.69Å; W141-F224 HydrophobicContact CZ3-CD2 3.69Å; W141-F224 AromaticContact CZ3-CE2 3.87Å; W141-F224 HydrophobicContact CZ3-CE2 3.87Å; W141-F224 HydrophobicContact CZ3-CG 4.42Å; W141-F224 VanDerWaalsContact N-CE1 3.33Å; V142-F224 PolarHBondContact N-O 3.33Å; L162-F224 HydrophobicContact CD2-CZ 4.49Å; V170-F224 HydrophobicContact CG1-CZ 4.5Å; F224-I250 WeakPolarHBondContact CA-O 3.37Å; F224-I250 HydrophobicContact CB-CB 3.63Å; F224-I250 HydrophobicContact CB-CD1 4.16Å; F224-I250 HydrophobicContact CB-CG1 4.21Å; F224-I250 HydrophobicContact CB-CG2 4.28Å; F224-V474 HydrophobicContact CD2-CG1 4.44Å; F224-V474 HydrophobicContact CE2-CG1 4.21Å; F224-F475 HydrophobicContact CE2-CE1 4.44Å; F224-F475 AromaticContact CE2-CE2 3.75Å; F224-F475 HydrophobicContact CE2-CE2 3.75Å; F224-F475 AromaticContact CE2-CZ 3.61Å; F224-F475 HydrophobicContact CE2-CZ 3.61Å; F224-F475 HydrophobicContact CZ-CE1 4.18Å; F224-F475 HydrophobicContact CZ-CE2 4.26Å; F224-F475 AromaticContact CZ-CZ 3.63Å; F224-F475 HydrophobicContact CZ-CZ 3.63Å
225	G	98.9	Very high	98.8	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	164.4	-178.3	0	0	0	0	0	110.4	V142 A230 I250 Q252	V142-G225 WeakPolarHBondContact O-CA 3.48Å; G225-A230 WeakPolarHBondContact O-CB 3.27Å; G225-I250 PolarHBondContact N-O 3.21Å; G225-Q252 WeakPolarHBondContact O-CB 3.32Å; G225-Q252 PolarHBondContact O-N 3.44Å
226	E	98.9	Very high	98.9	Very high	7 Å²	7	12.9 Å²	12.9	3%	0.033	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	146.4	178.8	-176.4	-80.7	163.1	0	0	110.1	W141 G144 A228 G229 A230 Q252 H467 G468 E470 I471	W141-E226 HydrophobicContact CH2-CB 3.56Å; W141-E226 HydrophobicContact CZ2-CB 4.31Å; W141-E226 HydrophobicContact CZ3-CB 4.37Å; G144-E226 WeakPolarHBondContact CA-O 3.31Å; G144-E226 PolarHBondContact N-O 3.24Å; E226-A228 PolarHBondContact O-N 3.22Å; E226-G229 VanDerWaalsContact O-CA 3.25Å; E226-G229 WeakPolarHBondContact O-CA 3.26Å; E226-G229 PolarHBondContact O-N 2.77Å; E226-A230 PolarHBondContact O-N 2.99Å; E226-Q252 CarbonylContact C-O 3.57Å; E226-Q252 WeakPolarHBondContact CA-O 3.25Å; E226-Q252 HydrophobicContact CB-CB 4.02Å; E226-Q252 HydrophobicContact CG-CB 4.11Å; E226-H467 IonicContact OE1-CD2 3.01Å; E226-H467 PolarHBondContact OE1-CD2 2.83Å; E226-H467 IonicContact OE1-CE1 2.7Å; E226-H467 PolarHBondContact OE1-CE1 3.12Å; E226-H467 IonicContact OE1-CG 3.89Å; E226-H467 IonicContact OE1-ND1 3.54Å; E226-H467 IonicContact OE1-NE2 3.67Å; E226-H467 PolarHBondContact OE1-NE2 3.46Å; E226-G468 VanDerWaalsContact OE1-CA 3.29Å; E226-G468 WeakPolarHBondContact OE1-CA 3.5Å; E226-G468 PolarHBondContact OE1-N 2.95Å; E226-E470 WeakPolarHBondContact CG-OE1 3.37Å; E226-I471 HydrophobicContact CB-CD1 3.84Å; E226-I471 HydrophobicContact CB-CG1 4.09Å; E226-I471 HydrophobicContact CG-CD1 3.67Å; E226-I471 HydrophobicContact CG-CG1 3.9Å
227	S	98.7	Very high	98.9	Very high	11 Å²	11	12.8 Å²	12.8	8%	0.077	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-124.9	178.4	-170.2	0	0	0	0	111.9	G229 A230 A231 Q252 S253 H467	S227-G229 PolarHBondContact O-N 2.78Å; S227-G229 VanDerWaalsContact O-N 3.16Å; S227-A230 WeakPolarHBondContact O-CA 3.24Å; S227-A230 WeakPolarHBondContact O-CB 3.26Å; S227-A230 PolarHBondContact O-N 3.03Å; S227-A231 PolarHBondContact O-N 2.85Å; S227-Q252 PolarHBondContact N-O 3.47Å; S227-S253 WeakPolarHBondContact CA-O 3.46Å; S227-H467 WeakPolarHBondContact CB-NE2 3.48Å; S227-H467 PolarHBondContact OG-NE2 2.93Å
228	A	98.8	Very high	98.8	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-57	-26.3	174	0	0	0	0	0	113.6	F147 E226 S232 W260	F147-A228 HydrophobicContact CD1-CB 4.12Å; F147-A228 HydrophobicContact CD2-CB 3.95Å; F147-A228 HydrophobicContact CE1-CB 4.09Å; F147-A228 HydrophobicContact CE2-CB 3.9Å; F147-A228 HydrophobicContact CG-CB 4.05Å; F147-A228 HydrophobicContact CZ-CB 3.97Å; F147-A228 WeakPolarHBondContact CZ-O 3.38Å; E226-A228 PolarHBondContact O-N 3.22Å; A228-S232 WeakPolarHBondContact O-CB 3.49Å; A228-S232 PolarHBondContact O-N 2.97Å; A228-S232 PolarHBondContact O-OG 2.94Å; A228-W260 HydrophobicContact CB-CH2 4.37Å; A228-W260 HydrophobicContact CB-CZ3 4.07Å
229	G	98.9	Very high	98.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-69.4	-41.1	170.5	0	0	0	0	0	112.1	V142 Y143 E226 S227 S232 V233	V142-G229 WeakPolarHBondContact O-CA 3.4Å; Y143-G229 VanDerWaalsContact O-CA 3.27Å; Y143-G229 WeakPolarHBondContact O-CA 3.04Å; Y143-G229 PolarHBondContact O-N 3.34Å; E226-G229 VanDerWaalsContact O-CA 3.25Å; E226-G229 WeakPolarHBondContact O-CA 3.26Å; E226-G229 PolarHBondContact O-N 2.77Å; S227-G229 PolarHBondContact O-N 2.78Å; S227-G229 VanDerWaalsContact O-N 3.16Å; G229-S232 VanDerWaalsContact O-CB 3.31Å; G229-S232 WeakPolarHBondContact O-CB 3.47Å; G229-S232 PolarHBondContact O-N 2.96Å; G229-V233 WeakPolarHBondContact O-CG2 3.36Å; G229-V233 PolarHBondContact O-N 3.04Å
230	A	98.9	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-65.2	-42.2	172.5	0	0	0	0	0	111.7	G225 E226 S227 S232 V233 S234 L251 Q252 G254	G225-A230 WeakPolarHBondContact O-CB 3.27Å; E226-A230 PolarHBondContact O-N 2.99Å; S227-A230 WeakPolarHBondContact O-CA 3.24Å; S227-A230 WeakPolarHBondContact O-CB 3.26Å; S227-A230 PolarHBondContact O-N 3.03Å; A230-S232 VanDerWaalsContact C-N 3.32Å; A230-S232 PolarHBondContact O-N 2.81Å; A230-V233 WeakPolarHBondContact O-CB 3.27Å; A230-V233 PolarHBondContact O-N 2.66Å; A230-V233 VanDerWaalsContact O-N 3.12Å; A230-S234 PolarHBondContact O-N 3.47Å; A230-S234 PolarHBondContact O-OG 3.15Å; A230-L251 HydrophobicContact CB-CB 4.12Å; A230-Q252 WeakPolarHBondContact CB-O 3.46Å; A230-G254 VanDerWaalsContact CB-O 3.29Å; A230-G254 WeakPolarHBondContact CB-O 3.35Å
231	A	98.8	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57	-46.2	171.3	0	0	0	0	0	111	F147 S227 V233 S234 L235 W260 A261	F147-A231 HydrophobicContact CE2-CB 4.49Å; F147-A231 HydrophobicContact CZ-CB 4.04Å; S227-A231 PolarHBondContact O-N 2.85Å; A231-V233 VanDerWaalsContact C-N 3.33Å; A231-V233 PolarHBondContact O-N 2.91Å; A231-S234 WeakPolarHBondContact CA-OG 3.37Å; A231-S234 PolarHBondContact O-N 2.92Å; A231-S234 PolarHBondContact O-OG 2.91Å; A231-L235 VanDerWaalsContact O-CG 3.25Å; A231-L235 WeakPolarHBondContact O-CG 3.43Å; A231-L235 PolarHBondContact O-N 3.34Å; A231-W260 HydrophobicContact CB-CH2 4.02Å; A231-W260 HydrophobicContact CB-CZ3 3.97Å; A231-A261 HydrophobicContact CB-CB 4.05Å
232	S	98.9	Very high	98.7	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-57	-43.5	173.4	-59.9	0	0	0	0	112.7	F147 Q200 A228 G229 A230 S234 L235 H236	F147-S232 WeakPolarHBondContact CE1-OG 3.47Å; Q200-S232 PolarHBondContact NE2-OG 3.34Å; Q200-S232 VanDerWaalsContact OE1-CB 3.24Å; A228-S232 WeakPolarHBondContact O-CB 3.49Å; A228-S232 PolarHBondContact O-N 2.97Å; A228-S232 PolarHBondContact O-OG 2.94Å; G229-S232 VanDerWaalsContact O-CB 3.31Å; G229-S232 WeakPolarHBondContact O-CB 3.47Å; G229-S232 PolarHBondContact O-N 2.96Å; A230-S232 VanDerWaalsContact C-N 3.32Å; A230-S232 PolarHBondContact O-N 2.81Å; S232-S234 PolarHBondContact O-N 2.94Å; S232-L235 PolarHBondContact O-N 3.31Å; S232-L235 VanDerWaalsContact O-N 3.13Å; S232-H236 PolarHBondContact O-CD2 2.89Å; S232-H236 VanDerWaalsContact O-CD2 3.25Å; S232-H236 PolarHBondContact O-N 3.28Å
233	V	98.9	Very high	98.7	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-61.1	-44	176.6	171	0	0	0	0	111.5	V142 L223 G229 A230 A231 H236 L237 A249 L251	V142-V233 HydrophobicContact CG2-CG2 4.3Å; L223-V233 HydrophobicContact CB-CG1 3.93Å; L223-V233 HydrophobicContact CB-CG2 3.85Å; G229-V233 WeakPolarHBondContact O-CG2 3.36Å; G229-V233 PolarHBondContact O-N 3.04Å; A230-V233 WeakPolarHBondContact O-CB 3.27Å; A230-V233 PolarHBondContact O-N 2.66Å; A230-V233 VanDerWaalsContact O-N 3.12Å; A231-V233 VanDerWaalsContact C-N 3.33Å; A231-V233 PolarHBondContact O-N 2.91Å; V233-H236 PolarHBondContact O-N 2.75Å; V233-L237 PolarHBondContact O-N 2.84Å; V233-A249 HydrophobicContact CG1-CB 3.47Å; V233-A249 VanDerWaalsContact CG1-CB 3.47Å; V233-L251 HydrophobicContact CG1-CD1 4.2Å; V233-L251 HydrophobicContact CG1-CG 4.18Å
234	S	98.8	Very high	98.7	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64	-36.9	171.4	35.6	0	0	0	0	113.3	A230 A231 S232 H236 L237 L238 S255 S256	A230-S234 PolarHBondContact O-N 3.47Å; A230-S234 PolarHBondContact O-OG 3.15Å; A231-S234 WeakPolarHBondContact CA-OG 3.37Å; A231-S234 PolarHBondContact O-N 2.92Å; A231-S234 PolarHBondContact O-OG 2.91Å; S232-S234 PolarHBondContact O-N 2.94Å; S234-H236 VanDerWaalsContact C-N 3.3Å; S234-H236 PolarHBondContact O-N 3.35Å; S234-L237 WeakPolarHBondContact O-CA 3.29Å; S234-L237 VanDerWaalsContact O-CB 3.26Å; S234-L237 WeakPolarHBondContact O-CB 3.36Å; S234-L237 PolarHBondContact O-N 2.87Å; S234-L238 WeakPolarHBondContact O-CG 3.48Å; S234-L238 PolarHBondContact O-N 3.22Å; S234-S255 WeakPolarHBondContact OG-CA 3.36Å; S234-S256 WeakPolarHBondContact OG-CB 3.4Å; S234-S256 PolarHBondContact OG-N 2.95Å
235	L	98.9	Very high	98.7	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.4	-35.5	177.1	-67.4	171.4	0	0	0	111.3	L197 A231 S232 L237 L238 C239 V262 P321 F327 L328 P332	L197-L235 HydrophobicContact CD1-CD1 3.96Å; L197-L235 HydrophobicContact CD2-CD1 4.21Å; A231-L235 VanDerWaalsContact O-CG 3.25Å; A231-L235 WeakPolarHBondContact O-CG 3.43Å; A231-L235 PolarHBondContact O-N 3.34Å; S232-L235 PolarHBondContact O-N 3.31Å; S232-L235 VanDerWaalsContact O-N 3.13Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.23Å; L235-L238 CarbonylContact O-C 3.54Å; L235-L238 PolarHBondContact O-N 2.83Å; L235-C239 WeakPolarHBondContact O-CB 3.36Å; L235-C239 PolarHBondContact O-N 3.17Å; L235-V262 HydrophobicContact CD1-CG2 4.4Å; L235-V262 HydrophobicContact CD2-CG2 3.83Å; L235-P321 HydrophobicContact CD1-CB 3.86Å; L235-P321 HydrophobicContact CD1-CG 3.7Å; L235-F327 HydrophobicContact CB-CE1 4.05Å; L235-L328 HydrophobicContact CD2-CD1 3.83Å; L235-L328 HydrophobicContact CD2-CD2 3.93Å; L235-L328 HydrophobicContact CD2-CG 4.39Å; L235-P332 HydrophobicContact CD2-CG 4.08Å
236	H	98.9	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-66.9	-25.3	169.6	-76.9	-63.7	0	0	0	113.8	Q200 L223 S232 V233 S234 L238 S242 F246 F327	Q200-H236 WeakPolarHBondContact CB-NE2 3.34Å; Q200-H236 PolarHBondContact OE1-NE2 3.37Å; L223-H236 HydrophobicContact CD1-CB 4Å; S232-H236 PolarHBondContact O-CD2 2.89Å; S232-H236 VanDerWaalsContact O-CD2 3.25Å; S232-H236 PolarHBondContact O-N 3.28Å; V233-H236 PolarHBondContact O-N 2.75Å; S234-H236 VanDerWaalsContact C-N 3.3Å; S234-H236 PolarHBondContact O-N 3.35Å; H236-L238 VanDerWaalsContact C-N 3.26Å; H236-S242 WeakPolarHBondContact ND1-CB 3.23Å; H236-S242 PolarHBondContact ND1-OG 3.38Å; H236-S242 WeakPolarHBondContact O-CB 3.49Å; H236-F246 HydrophobicContact CB-CE1 3.99Å; H236-F246 HydrophobicContact CB-CZ 4.27Å; H236-F246 WeakPolarHBondContact O-CE1 3.38Å; H236-F327 AromaticContact CE1-CE2 3.81Å; H236-F327 AromaticContact CE1-CZ 3.61Å; H236-F327 AromaticContact ND1-CZ 3.53Å
237	L	98.8	Very high	98.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-71	-21.9	169	-71.2	169.4	0	0	0	112.4	V233 S234 L235 Y243 F246 A249 L251 V341 K342 T344 I346 F434 F438	V233-L237 PolarHBondContact O-N 2.84Å; S234-L237 WeakPolarHBondContact O-CA 3.29Å; S234-L237 VanDerWaalsContact O-CB 3.26Å; S234-L237 WeakPolarHBondContact O-CB 3.36Å; S234-L237 PolarHBondContact O-N 2.87Å; L235-L237 VanDerWaalsContact C-N 3.28Å; L235-L237 PolarHBondContact O-N 3.23Å; L237-Y243 WeakPolarHBondContact O-CE1 3.21Å; L237-F246 HydrophobicContact CD2-CE2 3.67Å; L237-F246 HydrophobicContact CD2-CZ 3.74Å; L237-F246 HydrophobicContact CG-CE2 4.32Å; L237-F246 HydrophobicContact CG-CZ 4.16Å; L237-A249 HydrophobicContact CD1-CB 3.82Å; L237-A249 HydrophobicContact CD2-CB 4.14Å; L237-A249 HydrophobicContact CG-CB 4.12Å; L237-L251 HydrophobicContact CD1-CD1 4.49Å; L237-V341 HydrophobicContact CB-CG2 3.92Å; L237-V341 CarbonylContact O-C 3.58Å; L237-V341 WeakPolarHBondContact O-CA 2.89Å; L237-V341 WeakPolarHBondContact O-CG2 3.41Å; L237-K342 HydrophobicContact CD2-CB 3.97Å; L237-K342 HydrophobicContact CD2-CD 4.06Å; L237-K342 HydrophobicContact CD2-CG 4.45Å; L237-K342 PolarHBondContact O-N 3.24Å; L237-T344 HydrophobicContact CD2-CG2 3.74Å; L237-I346 HydrophobicContact CD1-CG2 3.85Å; L237-F434 HydrophobicContact CD1-CZ 4.09Å; L237-F438 HydrophobicContact CD1-CE2 4.29Å
238	L	98.6	Very high	98.7	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-99.5	-14.6	-179.5	-60.5	176.5	0	0	0	113.8	S234 L235 H236 P240 S256 L328 P332 L335 L336 V341	S234-L238 WeakPolarHBondContact O-CG 3.48Å; S234-L238 PolarHBondContact O-N 3.22Å; L235-L238 CarbonylContact O-C 3.54Å; L235-L238 PolarHBondContact O-N 2.83Å; H236-L238 VanDerWaalsContact C-N 3.26Å; L238-P240 WeakPolarHBondContact O-CD 3.34Å; L238-S256 WeakPolarHBondContact CD1-OG 3.44Å; L238-L328 HydrophobicContact CB-CD2 4.4Å; L238-P332 HydrophobicContact CD1-CB 3.67Å; L238-P332 HydrophobicContact CD1-CG 4.4Å; L238-L335 HydrophobicContact CB-CD1 4.09Å; L238-L335 HydrophobicContact CD2-CB 4.06Å; L238-L336 HydrophobicContact CD2-CD2 3.84Å; L238-L336 HydrophobicContact CD2-CG 3.95Å; L238-V341 HydrophobicContact CD2-CB 3.94Å; L238-V341 HydrophobicContact CD2-CG2 3.84Å
239	C	98.3	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.			trans	-91.4	109.6	179.5	172.5	0	0	0	0	111.3	Q201 L235 Q241 S242 Y243 F327	Q201-C239 PolarHBondContact NE2-SG 3.06Å; L235-C239 WeakPolarHBondContact O-CB 3.36Å; L235-C239 PolarHBondContact O-N 3.17Å; C239-Q241 VanDerWaalsContact C-N 3.27Å; C239-Q241 PolarHBondContact O-N 3.42Å; C239-Q241 PolarHBondContact SG-OE1 3.05Å; C239-S242 WeakPolarHBondContact O-CA 3.47Å; C239-S242 WeakPolarHBondContact O-CB 3.44Å; C239-S242 PolarHBondContact O-N 3.38Å; C239-S242 PolarHBondContact SG-OG 3.33Å; C239-Y243 VanDerWaalsContact C-CE1 3.43Å; C239-Y243 WeakPolarHBondContact O-CD1 3.26Å; C239-Y243 WeakPolarHBondContact O-CE1 3.31Å; C239-Y243 PolarHBondContact O-N 3.5Å; C239-F327 HydrophobicContact CB-CD1 3.89Å; C239-F327 HydrophobicContact CB-CE1 3.57Å; C239-F327 HydrophobicContact CB-CE2 4.38Å; C239-F327 HydrophobicContact CB-CG 4.42Å; C239-F327 HydrophobicContact CB-CZ 3.86Å; C239-F327 WeakPolarHBondContact CB-O 3.46Å
240	P	97.8	Very high	98.7	Very high	66 Å²	66	18.8 Å²	18.8	43%	0.429	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-56.6	-36.2	-176.6	-27.3	36.8	0	0	0	114.4	L238 S242 Y243	L238-P240 WeakPolarHBondContact O-CD 3.34Å; P240-S242 PolarHBondContact O-N 3.21Å; P240-Y243 HydrophobicContact CB-CE2 4.27Å; P240-Y243 WeakPolarHBondContact O-CB 3.48Å; P240-Y243 PolarHBondContact O-N 2.85Å
241	Q	97.9	Very high	98.7	Very high	84 Å²	84	18.8 Å²	18.8	39%	0.393	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-66.6	-21.4	178.3	-55.3	89.1	-27.5	0	0	112.1	C239 D326	C239-Q241 VanDerWaalsContact C-N 3.27Å; C239-Q241 PolarHBondContact O-N 3.42Å; C239-Q241 PolarHBondContact SG-OE1 3.05Å; Q241-D326 PolarHBondContact NE2-O 2.91Å
242	S	98.7	Very high	98.7	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-86.6	-19.1	176.7	-56.9	0	0	0	0	113.1	Q201 H236 C239 P240 P244 L245 F246	Q201-S242 PolarHBondContact NE2-OG 3.15Å; H236-S242 WeakPolarHBondContact ND1-CB 3.23Å; H236-S242 PolarHBondContact ND1-OG 3.38Å; H236-S242 WeakPolarHBondContact O-CB 3.49Å; C239-S242 WeakPolarHBondContact O-CA 3.47Å; C239-S242 WeakPolarHBondContact O-CB 3.44Å; C239-S242 PolarHBondContact O-N 3.38Å; C239-S242 PolarHBondContact SG-OG 3.33Å; P240-S242 PolarHBondContact O-N 3.21Å; S242-P244 VanDerWaalsContact C-CD 3.49Å; S242-L245 WeakPolarHBondContact O-CB 3.35Å; S242-L245 PolarHBondContact O-N 2.98Å; S242-F246 WeakPolarHBondContact O-CD1 3.42Å; S242-F246 WeakPolarHBondContact O-CE1 3.46Å
243	Y	98.5	Very high	98.7	Very high	57 Å²	57	18.8 Å²	18.8	22%	0.224	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-53.1	-45.8	-175.2	-66.5	1.6	0	0	0	114.6	L237 C239 P240 L245 Q340 V341 K342	L237-Y243 WeakPolarHBondContact O-CE1 3.21Å; C239-Y243 VanDerWaalsContact C-CE1 3.43Å; C239-Y243 WeakPolarHBondContact O-CD1 3.26Å; C239-Y243 WeakPolarHBondContact O-CE1 3.31Å; C239-Y243 PolarHBondContact O-N 3.5Å; P240-Y243 HydrophobicContact CB-CE2 4.27Å; P240-Y243 WeakPolarHBondContact O-CB 3.48Å; P240-Y243 PolarHBondContact O-N 2.85Å; Y243-L245 PolarHBondContact O-N 3.12Å; Y243-Q340 PolarHBondContact OH-O 3.22Å; Y243-V341 WeakPolarHBondContact OH-CA 3.43Å; Y243-K342 HydrophobicContact CD1-CB 3.66Å; Y243-K342 HydrophobicContact CD1-CG 4.31Å; Y243-K342 HydrophobicContact CD2-CB 4.46Å; Y243-K342 HydrophobicContact CE1-CB 3.78Å; Y243-K342 HydrophobicContact CG-CB 4.03Å; Y243-K342 HydrophobicContact CG-CG 4.32Å; Y243-K342 PolarHBondContact O-NZ 3.02Å; Y243-K342 PolarHBondContact OH-N 2.92Å
244	P	98.6	Very high	98.6	Very high	96 Å²	96	18.8 Å²	18.8	62%	0.623	10%	0.101	S	C	*	.	G	3₁₀ helix	trans	-75.2	-7.9	-179.3	30.8	-35.9	0	0	0	113.4	S242	S242-P244 VanDerWaalsContact C-CD 3.49Å
245	L	98.9	Very high	98.6	Very high	17 Å²	17	18.8 Å²	18.8	9%	0.089	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-86.4	-12.7	-171.2	-52.2	-178.9	0	0	0	113.8	Q201 L204 Q205 Q208 S242 Y243	Q201-L245 HydrophobicContact CG-CD1 3.69Å; L204-L245 HydrophobicContact CB-CB 3.92Å; L204-L245 HydrophobicContact CB-CD1 3.98Å; L204-L245 HydrophobicContact CD1-CB 4.42Å; Q205-L245 HydrophobicContact CG-CD1 3.84Å; Q205-L245 HydrophobicContact CG-CD2 3.81Å; Q208-L245 HydrophobicContact CG-CB 4.39Å; Q208-L245 HydrophobicContact CG-CD2 4Å; Q208-L245 PolarHBondContact NE2-O 2.97Å; S242-L245 WeakPolarHBondContact O-CB 3.35Å; S242-L245 PolarHBondContact O-N 2.98Å; Y243-L245 PolarHBondContact O-N 3.12Å
246	F	98.9	Very high	98.5	Very high	7 Å²	7	19 Å²	19	3%	0.031	10%	0.102	C	C	.	.			trans	-150.3	166.4	178.2	69.1	-79	0	0	0	112.6	V221 L223 H236 L237 S242 R248 A249 K342	V221-F246 HydrophobicContact CB-CB 4.33Å; V221-F246 HydrophobicContact CG1-CB 4.05Å; L223-F246 HydrophobicContact CD1-CB 4.21Å; L223-F246 HydrophobicContact CD1-CD1 3.72Å; L223-F246 HydrophobicContact CD1-CD2 3.96Å; L223-F246 HydrophobicContact CD1-CE1 3.99Å; L223-F246 HydrophobicContact CD1-CE2 4.2Å; L223-F246 HydrophobicContact CD1-CG 3.7Å; L223-F246 HydrophobicContact CD1-CZ 4.2Å; L223-F246 HydrophobicContact CD2-CB 3.96Å; L223-F246 HydrophobicContact CD2-CG 4.36Å; L223-F246 HydrophobicContact CG-CB 3.77Å; L223-F246 HydrophobicContact CG-CD1 4.22Å; L223-F246 HydrophobicContact CG-CD2 3.84Å; L223-F246 HydrophobicContact CG-CE2 4.46Å; L223-F246 HydrophobicContact CG-CG 3.69Å; H236-F246 HydrophobicContact CB-CE1 3.99Å; H236-F246 HydrophobicContact CB-CZ 4.27Å; H236-F246 WeakPolarHBondContact O-CE1 3.38Å; L237-F246 HydrophobicContact CD2-CE2 3.67Å; L237-F246 HydrophobicContact CD2-CZ 3.74Å; L237-F246 HydrophobicContact CG-CE2 4.32Å; L237-F246 HydrophobicContact CG-CZ 4.16Å; S242-F246 WeakPolarHBondContact O-CD1 3.42Å; S242-F246 WeakPolarHBondContact O-CE1 3.46Å; F246-R248 WeakPolarHBondContact CD2-O 3.46Å; F246-A249 HydrophobicContact CE2-CB 4.38Å; F246-K342 HydrophobicContact CD2-CD 4.28Å; F246-K342 HydrophobicContact CE1-CD 4.07Å; F246-K342 HydrophobicContact CE2-CD 3.62Å; F246-K342 HydrophobicContact CZ-CD 3.5Å; F246-K342 VanDerWaalsContact CZ-CD 3.5Å; F246-K342 WeakPolarHBondContact O-CE 3.18Å; F246-K342 PolarHBondContact O-NZ 3.14Å
247	T	98.9	Very high	98.3	Very high	30 Å²	30	20.7 Å²	20.7	18%	0.184	11%	0.111	C	C	.	.	S	Bend	trans	-99.6	-54.7	-179	-42	0	0	0	0	110.8	K219 S220 V221 K342 T344	K219-T247 PolarHBondContact O-OG1 2.95Å; S220-T247 WeakPolarHBondContact CA-OG1 3.37Å; V221-T247 PolarHBondContact N-OG1 3Å; V221-T247 WeakPolarHBondContact O-CA 3.39Å; V221-T247 VanDerWaalsContact O-CB 3.22Å; V221-T247 WeakPolarHBondContact O-CB 3.35Å; V221-T247 PolarHBondContact O-N 3.11Å; V221-T247 PolarHBondContact O-OG1 3.01Å; T247-K342 WeakPolarHBondContact O-CE 3.23Å; T247-T344 WeakPolarHBondContact O-CB 3.24Å; T247-T344 PolarHBondContact O-OG1 3.3Å
248	R	98.8	Very high	98	Very high	34 Å²	34	20.9 Å²	20.9	13%	0.128	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	168.4	-171.2	-61.1	175.1	-167.7	87.4	4.6	112.1	V221 T222 L223 F246 F503 A504	V221-R248 PolarHBondContact O-N 3.36Å; T222-R248 CarbonylContact C-O 3.59Å; T222-R248 WeakPolarHBondContact CA-O 3.47Å; T222-R248 HydrophobicContact CG2-CB 4.06Å; L223-R248 PolarHBondContact N-O 3.21Å; F246-R248 WeakPolarHBondContact CD2-O 3.46Å; R248-F503 HydrophobicContact CB-CE1 3.89Å; R248-F503 HydrophobicContact CB-CZ 4.11Å; R248-F503 WeakPolarHBondContact CD-O 3.08Å; R248-A504 PolarHBondContact NH1-O 2.78Å
249	A	98.9	Very high	97.6	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	140.2	-176.7	0	0	0	0	0	112.1	L223 V233 L237 F246 L251 Q345 I346 L347 F503	L223-A249 CarbonylContact O-C 3.56Å; L223-A249 WeakPolarHBondContact O-CA 3.22Å; V233-A249 HydrophobicContact CG1-CB 3.47Å; V233-A249 VanDerWaalsContact CG1-CB 3.47Å; L237-A249 HydrophobicContact CD1-CB 3.82Å; L237-A249 HydrophobicContact CD2-CB 4.14Å; L237-A249 HydrophobicContact CG-CB 4.12Å; F246-A249 HydrophobicContact CE2-CB 4.38Å; A249-L251 HydrophobicContact CB-CD1 3.99Å; A249-Q345 PolarHBondContact N-O 2.94Å; A249-I346 HydrophobicContact CB-CG2 4.18Å; A249-I346 VanDerWaalsContact O-CA 3.3Å; A249-I346 WeakPolarHBondContact O-CA 3.47Å; A249-L347 PolarHBondContact O-N 2.97Å; A249-F503 WeakPolarHBondContact O-CE1 3.47Å; A249-F503 WeakPolarHBondContact O-CZ 3.24Å
250	I	99	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	129	170	-53.8	179.3	0	0	0	108.1	M139 T222 L223 F224 G225 Q252 L347 W500 F503	M139-I250 HydrophobicContact CE-CD1 4.19Å; T222-I250 HydrophobicContact CG2-CD1 4.08Å; T222-I250 HydrophobicContact CG2-CG1 3.89Å; L223-I250 PolarHBondContact O-N 3.03Å; F224-I250 WeakPolarHBondContact CA-O 3.37Å; F224-I250 HydrophobicContact CB-CB 3.63Å; F224-I250 HydrophobicContact CB-CD1 4.16Å; F224-I250 HydrophobicContact CB-CG1 4.21Å; F224-I250 HydrophobicContact CB-CG2 4.28Å; G225-I250 PolarHBondContact N-O 3.21Å; I250-Q252 HydrophobicContact CG2-CG 4.15Å; I250-L347 CarbonylContact C-O 3.57Å; I250-L347 WeakPolarHBondContact CA-O 3.27Å; I250-L347 HydrophobicContact CB-CB 4.47Å; I250-L347 HydrophobicContact CG1-CB 4.09Å; I250-L347 HydrophobicContact CG2-CB 4.25Å; I250-L347 HydrophobicContact CG2-CD2 3.9Å; I250-W500 HydrophobicContact CD1-CB 4.33Å; I250-W500 HydrophobicContact CD1-CG 4.03Å; I250-F503 HydrophobicContact CD1-CD1 3.77Å; I250-F503 HydrophobicContact CD1-CE1 4.25Å; I250-F503 HydrophobicContact CG1-CD1 3.59Å; I250-F503 HydrophobicContact CG1-CE1 3.55Å
251	L	98.9	Very high	97.1	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.2	-175.1	-64.2	86.6	0	0	0	108.9	A230 V233 L237 A249 I346 L347 V348 G349 F434	A230-L251 HydrophobicContact CB-CB 4.12Å; V233-L251 HydrophobicContact CG1-CD1 4.2Å; V233-L251 HydrophobicContact CG1-CG 4.18Å; L237-L251 HydrophobicContact CD1-CD1 4.49Å; A249-L251 HydrophobicContact CB-CD1 3.99Å; L251-I346 HydrophobicContact CD1-CB 4.4Å; L251-I346 HydrophobicContact CD1-CG2 4.41Å; L251-L347 PolarHBondContact N-O 2.63Å; L251-V348 HydrophobicContact CB-CG1 4.26Å; L251-V348 HydrophobicContact CB-CG2 4.27Å; L251-V348 HydrophobicContact CD1-CG2 4.23Å; L251-V348 CarbonylContact O-C 3.45Å; L251-V348 VanDerWaalsContact O-CA 3.26Å; L251-V348 WeakPolarHBondContact O-CA 3.49Å; L251-G349 PolarHBondContact O-N 3.33Å; L251-G349 VanDerWaalsContact O-N 3.09Å; L251-F434 HydrophobicContact CD2-CD1 4.41Å; L251-F434 HydrophobicContact CD2-CE1 3.97Å; L251-F434 HydrophobicContact CD2-CZ 4.3Å
252	Q	98.9	Very high	97	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	118	-179.5	-52.7	174	-164	0	0	108.8	G225 E226 S227 A230 I250 G254 Y448 E470	G225-Q252 WeakPolarHBondContact O-CB 3.32Å; G225-Q252 PolarHBondContact O-N 3.44Å; E226-Q252 CarbonylContact C-O 3.57Å; E226-Q252 WeakPolarHBondContact CA-O 3.25Å; E226-Q252 HydrophobicContact CB-CB 4.02Å; E226-Q252 HydrophobicContact CG-CB 4.11Å; S227-Q252 PolarHBondContact N-O 3.47Å; A230-Q252 WeakPolarHBondContact CB-O 3.46Å; I250-Q252 HydrophobicContact CG2-CG 4.15Å; Q252-G254 VanDerWaalsContact C-N 3.27Å; Q252-G254 PolarHBondContact O-N 2.85Å; Q252-G254 VanDerWaalsContact O-N 3.13Å; Q252-Y448 WeakPolarHBondContact CB-OH 3.26Å; Q252-Y448 WeakPolarHBondContact CG-OH 3.31Å; Q252-E470 VanDerWaalsContact CB-OE1 3.26Å; Q252-E470 WeakPolarHBondContact CB-OE1 3.5Å; Q252-E470 PolarHBondContact NE2-OE1 2.93Å
253	S	98.7	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	54.8	37.7	173.2	-58.6	0	0	0	0	114.6	S227 G349 E354	S227-S253 WeakPolarHBondContact CA-O 3.46Å; S253-G349 PolarHBondContact N-O 2.86Å; S253-E354 WeakPolarHBondContact CB-OE1 3.39Å; S253-E354 PolarHBondContact OG-OE1 3.23Å
254	G	97.9	Very high	96.4	Very high	1 Å²	1	19.1 Å²	19.1	1%	0.01	11%	0.111	C	C	.	.			trans	179.8	153.6	174.8	0	0	0	0	0	114.2	A230 Q252	A230-G254 VanDerWaalsContact CB-O 3.29Å; A230-G254 WeakPolarHBondContact CB-O 3.35Å; Q252-G254 VanDerWaalsContact C-N 3.27Å; Q252-G254 PolarHBondContact O-N 2.85Å; Q252-G254 VanDerWaalsContact O-N 3.13Å
255	S	97.8	Very high	96.2	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.			trans	-154.1	168.4	176.1	52.8	0	0	0	0	111	S234 N257 T258 P430	S234-S255 WeakPolarHBondContact OG-CA 3.36Å; S255-N257 VanDerWaalsContact CB-OD1 3.31Å; S255-N257 WeakPolarHBondContact CB-OD1 3.36Å; S255-N257 PolarHBondContact O-N 2.93Å; S255-N257 PolarHBondContact OG-OD1 3.21Å; S255-T258 VanDerWaalsContact O-CB 3.27Å; S255-T258 WeakPolarHBondContact O-CB 3.29Å; S255-T258 PolarHBondContact O-N 3.32Å; S255-T258 PolarHBondContact O-OG1 2.61Å; S255-P430 PolarHBondContact OG-O 2.56Å
256	S	97	Very high	95.9	Very high	3 Å²	3	23 Å²	23	2%	0.021	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.6	-173.6	55.7	0	0	0	0	113.9	S234 L238 P332	S234-S256 WeakPolarHBondContact OG-CB 3.4Å; S234-S256 PolarHBondContact OG-N 2.95Å; L238-S256 WeakPolarHBondContact CD1-OG 3.44Å; S256-P332 WeakPolarHBondContact O-CB 3.21Å; S256-P332 WeakPolarHBondContact O-CG 3.46Å
257	N	94.7	Very high	95.5	Very high	36 Å²	36	26.7 Å²	26.7	19%	0.193	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	4	176.5	67.2	-39.2	0	0	0	113.1	S255 P430	S255-N257 VanDerWaalsContact CB-OD1 3.31Å; S255-N257 WeakPolarHBondContact CB-OD1 3.36Å; S255-N257 PolarHBondContact O-N 2.93Å; S255-N257 PolarHBondContact OG-OD1 3.21Å; N257-P430 PolarHBondContact ND2-O 3.41Å; N257-P430 PolarHBondContact OD1-O 3.26Å
258	T	92.7	Very high	95.3	Very high	4 Å²	4	25.5 Å²	25.5	3%	0.025	14%	0.135	C	C	.	.	S	Bend	trans	-64.1	138.3	172	-73.2	0	0	0	0	110.5	S255 W260 A261 N426 P430	S255-T258 VanDerWaalsContact O-CB 3.27Å; S255-T258 WeakPolarHBondContact O-CB 3.29Å; S255-T258 PolarHBondContact O-N 3.32Å; S255-T258 PolarHBondContact O-OG1 2.61Å; T258-W260 HydrophobicContact CG2-CD2 3.52Å; T258-W260 HydrophobicContact CG2-CE3 4.32Å; T258-W260 HydrophobicContact CG2-CG 3.65Å; T258-W260 HydrophobicContact CG2-CH2 4.41Å; T258-W260 HydrophobicContact CG2-CZ2 3.66Å; T258-W260 PolarHBondContact O-N 2.94Å; T258-W260 VanDerWaalsContact O-N 3.11Å; T258-A261 WeakPolarHBondContact O-CB 3.39Å; T258-A261 PolarHBondContact O-N 2.86Å; T258-N426 WeakPolarHBondContact CG2-O 3.11Å; T258-N426 PolarHBondContact OG1-O 2.63Å; T258-P430 WeakPolarHBondContact OG1-CB 3.45Å
259	P	90.8	Very high	95.1	Very high	71 Å²	71	29.7 Å²	29.7	46%	0.461	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.1	-175	-31	36.3	0	0	0	115.5
260	W	91.4	Very high	94.7	Very high	22 Å²	22	33.6 Å²	33.6	8%	0.083	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.3	179.3	54.7	-107.2	0	0	0	114.3	F147 A228 A231 T258 I317 I427	F147-W260 HydrophobicContact CE2-CE3 4.31Å; F147-W260 AromaticContact CE2-CZ3 3.88Å; F147-W260 HydrophobicContact CE2-CZ3 3.88Å; A228-W260 HydrophobicContact CB-CH2 4.37Å; A228-W260 HydrophobicContact CB-CZ3 4.07Å; A231-W260 HydrophobicContact CB-CH2 4.02Å; A231-W260 HydrophobicContact CB-CZ3 3.97Å; T258-W260 HydrophobicContact CG2-CD2 3.52Å; T258-W260 HydrophobicContact CG2-CE3 4.32Å; T258-W260 HydrophobicContact CG2-CG 3.65Å; T258-W260 HydrophobicContact CG2-CH2 4.41Å; T258-W260 HydrophobicContact CG2-CZ2 3.66Å; T258-W260 PolarHBondContact O-N 2.94Å; T258-W260 VanDerWaalsContact O-N 3.11Å; W260-I317 HydrophobicContact CB-CD1 4Å; W260-I317 HydrophobicContact CB-CG1 4.27Å; W260-I317 HydrophobicContact CD2-CD1 3.99Å; W260-I317 HydrophobicContact CE3-CD1 3.37Å; W260-I317 HydrophobicContact CG-CD1 4.29Å; W260-I317 HydrophobicContact CZ3-CD1 4.19Å; W260-I317 WeakPolarHBondContact O-CD1 3.21Å; W260-I427 HydrophobicContact CZ2-CD1 3.93Å
261	A	93.9	Very high	94.4	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.008	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-36.7	-164.1	0	0	0	0	0	115.2	A231 T258 P321	A231-A261 HydrophobicContact CB-CB 4.05Å; T258-A261 WeakPolarHBondContact O-CB 3.39Å; T258-A261 PolarHBondContact O-N 2.86Å; A261-P321 WeakPolarHBondContact O-CD 3.33Å; A261-P321 WeakPolarHBondContact O-CG 3.44Å
262	V	95.6	Very high	94.2	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.097	18%	0.18	C	C	.	.			trans	-135.4	131.5	-176.9	-177.5	0	0	0	0	110.3	L235 P321 L328 M331 P332	L235-V262 HydrophobicContact CD1-CG2 4.4Å; L235-V262 HydrophobicContact CD2-CG2 3.83Å; V262-P321 CarbonylContact C-O 3.47Å; V262-P321 WeakPolarHBondContact CA-O 3.33Å; V262-P321 HydrophobicContact CG2-CB 4.2Å; V262-L328 HydrophobicContact CG1-CD1 4.12Å; V262-L328 HydrophobicContact CG2-CD1 4.32Å; V262-M331 HydrophobicContact CG1-CE 4.45Å; V262-M331 HydrophobicContact CG1-SD 4.31Å; V262-P332 HydrophobicContact CB-CG 4.12Å; V262-P332 HydrophobicContact CG1-CG 4.36Å; V262-P332 HydrophobicContact CG2-CG 3.53Å
263	K	92.6	Very high	94	Very high	30 Å²	30	37.5 Å²	37.5	13%	0.13	20%	0.196	C	C	.	.	B	Isolated β-bridge	trans	-90.5	152	174.8	-71.7	-173.2	160.1	41.4	0	112	E267 A268 I317 N318 P321 T322	K263-E267 HydrophobicContact CB-CB 4.36Å; K263-A268 HydrophobicContact CB-CB 4.32Å; K263-I317 WeakPolarHBondContact CE-O 3.5Å; K263-I317 PolarHBondContact NZ-O 3.13Å; K263-N318 WeakPolarHBondContact CE-O 3.41Å; K263-P321 PolarHBondContact N-O 2.92Å; K263-T322 PolarHBondContact O-OG1 2.93Å
264	S	92.3	Very high	93.8	Very high	34 Å²	34	39 Å²	39	24%	0.238	21%	0.209	C	C	.	.			trans	-65.3	151.1	162.6	66.7	0	0	0	0	110.5	E266 E267 A268	S264-E266 PolarHBondContact O-N 3.47Å; S264-E267 WeakPolarHBondContact CB-OE2 3.33Å; S264-E267 PolarHBondContact N-OE2 3.24Å; S264-E267 PolarHBondContact O-N 3.32Å; S264-E267 WeakPolarHBondContact OG-CB 3.17Å; S264-E267 VanDerWaalsContact OG-CD 3.22Å; S264-E267 WeakPolarHBondContact OG-CG 3.4Å; S264-E267 PolarHBondContact OG-N 3.29Å; S264-E267 PolarHBondContact OG-OE2 3.12Å; S264-A268 PolarHBondContact O-N 2.84Å
265	P	93.4	Very high	93.6	Very high	53 Å²	53	39 Å²	39	34%	0.344	21%	0.209	S	C	.	.	H	α-helix	trans	-52.9	-34.6	174	-30	37.3	0	0	0	113.7	P186 R269 V323	P186-P265 HydrophobicContact CB-CB 4.29Å; P186-P265 HydrophobicContact CG-CB 3.86Å; P265-R269 WeakPolarHBondContact O-CB 3.37Å; P265-R269 PolarHBondContact O-N 3Å; P265-V323 HydrophobicContact CG-CB 4.02Å
266	E	92.6	Very high	93.5	Very high	140 Å²	140	39 Å²	39	65%	0.654	21%	0.209	S	C	*	.	H	α-helix	trans	-69.5	-48.9	178.4	-178.5	173	-177.8	0	0	112.1	S264 A268 R269 N270	S264-E266 PolarHBondContact O-N 3.47Å; E266-A268 VanDerWaalsContact C-N 3.3Å; E266-A268 PolarHBondContact O-N 3.26Å; E266-R269 PolarHBondContact O-N 3.45Å; E266-N270 WeakPolarHBondContact O-CB 3.22Å; E266-N270 VanDerWaalsContact O-CG 3.28Å; E266-N270 PolarHBondContact O-N 2.99Å
267	E	90.9	Very high	93.4	Very high	85 Å²	85	46 Å²	46	40%	0.397	24%	0.239	S	C	.	.	H	α-helix	trans	-60	-42	176.3	-72.2	166.8	135.1	0	0	111.6	K263 S264 N270 G271 R389	K263-E267 HydrophobicContact CB-CB 4.36Å; S264-E267 WeakPolarHBondContact CB-OE2 3.33Å; S264-E267 PolarHBondContact N-OE2 3.24Å; S264-E267 PolarHBondContact O-N 3.32Å; S264-E267 WeakPolarHBondContact OG-CB 3.17Å; S264-E267 VanDerWaalsContact OG-CD 3.22Å; S264-E267 WeakPolarHBondContact OG-CG 3.4Å; S264-E267 PolarHBondContact OG-N 3.29Å; S264-E267 PolarHBondContact OG-OE2 3.12Å; E267-N270 PolarHBondContact O-N 2.85Å; E267-G271 PolarHBondContact O-N 3.34Å; E267-R389 IonicContact OE1-NH1 3.44Å
268	A	93.8	Very high	93.4	Very high	5 Å²	5	49 Å²	49	4%	0.041	25%	0.25	C	S	.	.	H	α-helix	trans	-64	-41.6	177.8	0	0	0	0	0	111.8	A184 K263 S264 E266 T272 T322	A184-A268 HydrophobicContact CB-CB 4.02Å; K263-A268 HydrophobicContact CB-CB 4.32Å; S264-A268 PolarHBondContact O-N 2.84Å; E266-A268 VanDerWaalsContact C-N 3.3Å; E266-A268 PolarHBondContact O-N 3.26Å; A268-T272 PolarHBondContact O-N 2.88Å; A268-T272 VanDerWaalsContact O-N 3.15Å; A268-T272 PolarHBondContact O-OG1 2.72Å; A268-T272 VanDerWaalsContact O-OG1 3.12Å; A268-T322 HydrophobicContact CB-CG2 4.26Å
269	R	94.4	Very high	93.5	Very high	122 Å²	122	49 Å²	49	46%	0.46	25%	0.25	S	S	.	.	H	α-helix	trans	-62.8	-46.6	173.7	-173	-179.6	-171.4	-173.1	3.1	111.3	L185 P265 E266 G271 T272 L273	L185-R269 HydrophobicContact CD2-CG 3.88Å; P265-R269 WeakPolarHBondContact O-CB 3.37Å; P265-R269 PolarHBondContact O-N 3Å; E266-R269 PolarHBondContact O-N 3.45Å; R269-G271 VanDerWaalsContact C-N 3.33Å; R269-G271 PolarHBondContact O-N 3.1Å; R269-T272 WeakPolarHBondContact O-CB 3.36Å; R269-T272 PolarHBondContact O-N 2.95Å; R269-T272 VanDerWaalsContact O-N 3.15Å; R269-L273 HydrophobicContact CG-CD1 4.26Å; R269-L273 HydrophobicContact CG-CG 4.44Å; R269-L273 WeakPolarHBondContact O-CG 3.32Å; R269-L273 PolarHBondContact O-N 3.18Å
270	N	92.1	Very high	93.7	Very high	82 Å²	82	48.4 Å²	48.4	44%	0.439	26%	0.256	S	S	.	.	H	α-helix	trans	-61.7	-41	-179.7	-73	-16.5	0	0	0	111.8	E266 E267 T272 L273 A274	E266-N270 WeakPolarHBondContact O-CB 3.22Å; E266-N270 VanDerWaalsContact O-CG 3.28Å; E266-N270 PolarHBondContact O-N 2.99Å; E267-N270 PolarHBondContact O-N 2.85Å; N270-T272 VanDerWaalsContact C-N 3.35Å; N270-T272 PolarHBondContact O-N 3.29Å; N270-L273 PolarHBondContact O-N 3.44Å; N270-A274 WeakPolarHBondContact O-CB 3.32Å; N270-A274 PolarHBondContact O-N 2.92Å
271	G	92.6	Very high	94	Very high	17 Å²	17	47.3 Å²	47.3	18%	0.175	25%	0.252	C	S	.	.	H	α-helix	trans	-59.4	-43.1	172.9	0	0	0	0	0	112.7	E267 R269 A274 L275	E267-G271 PolarHBondContact O-N 3.34Å; R269-G271 VanDerWaalsContact C-N 3.33Å; R269-G271 PolarHBondContact O-N 3.1Å; G271-A274 PolarHBondContact O-N 3.47Å; G271-L275 PolarHBondContact O-N 3.46Å
272	T	95.1	Very high	94.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-46.2	175.5	-59.5	0	0	0	0	112.3	L183 A184 L185 A268 R269 N270 A274 L275 A276	L183-T272 HydrophobicContact CD1-CG2 4.07Å; L183-T272 HydrophobicContact CD2-CG2 3.61Å; L183-T272 HydrophobicContact CG-CG2 3.7Å; A184-T272 PolarHBondContact N-OG1 3.15Å; A184-T272 PolarHBondContact O-OG1 3.43Å; L185-T272 HydrophobicContact CD1-CG2 4.36Å; L185-T272 HydrophobicContact CD2-CG2 3.67Å; L185-T272 HydrophobicContact CG-CG2 3.86Å; A268-T272 PolarHBondContact O-N 2.88Å; A268-T272 VanDerWaalsContact O-N 3.15Å; A268-T272 PolarHBondContact O-OG1 2.72Å; A268-T272 VanDerWaalsContact O-OG1 3.12Å; R269-T272 WeakPolarHBondContact O-CB 3.36Å; R269-T272 PolarHBondContact O-N 2.95Å; R269-T272 VanDerWaalsContact O-N 3.15Å; N270-T272 VanDerWaalsContact C-N 3.35Å; N270-T272 PolarHBondContact O-N 3.29Å; T272-A274 VanDerWaalsContact C-N 3.34Å; T272-A274 PolarHBondContact O-N 3.47Å; T272-L275 PolarHBondContact O-N 2.67Å; T272-A276 PolarHBondContact O-N 2.91Å
273	L	94.4	Very high	93.9	Very high	65 Å²	65	54.9 Å²	54.9	34%	0.34	29%	0.293	S	S	.	.	H	α-helix	trans	-63.9	-39.5	178.6	-65.7	177.6	0	0	0	111.9	R269 N270 A276 K277 M289	R269-L273 HydrophobicContact CG-CD1 4.26Å; R269-L273 HydrophobicContact CG-CG 4.44Å; R269-L273 WeakPolarHBondContact O-CG 3.32Å; R269-L273 PolarHBondContact O-N 3.18Å; N270-L273 PolarHBondContact O-N 3.44Å; L273-A276 PolarHBondContact O-N 3Å; L273-K277 PolarHBondContact O-N 3.11Å; L273-M289 HydrophobicContact CD2-CE 3.71Å; L273-M289 HydrophobicContact CD2-SD 3.96Å
274	A	93.4	Very high	93.7	Very high	33 Å²	33	63.2 Å²	63.2	27%	0.273	33%	0.332	S	S	.	.	H	α-helix	trans	-63.9	-43.4	175.2	0	0	0	0	0	111.5	N270 G271 T272 A276 K277 F278 L308	N270-A274 WeakPolarHBondContact O-CB 3.32Å; N270-A274 PolarHBondContact O-N 2.92Å; G271-A274 PolarHBondContact O-N 3.47Å; T272-A274 VanDerWaalsContact C-N 3.34Å; T272-A274 PolarHBondContact O-N 3.47Å; A274-A276 VanDerWaalsContact C-N 3.35Å; A274-A276 PolarHBondContact O-N 2.93Å; A274-K277 WeakPolarHBondContact O-CB 3.44Å; A274-K277 PolarHBondContact O-N 3.11Å; A274-K277 VanDerWaalsContact O-N 3.11Å; A274-F278 WeakPolarHBondContact O-CD2 3.43Å; A274-F278 PolarHBondContact O-N 2.8Å; A274-L308 VanDerWaalsContact C-CD2 3.5Å; A274-L308 HydrophobicContact CB-CD2 3.51Å
275	L	95.2	Very high	93.7	Very high	0 Å²	0	65 Å²	65	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-62.4	-43	175.6	-179.6	67.2	0	0	0	111.8	A179 L183 G271 T272 K277 F278 T279 I301 N304 E305 L308 F319	A179-L275 HydrophobicContact CB-CD2 3.65Å; L183-L275 HydrophobicContact CD1-CD2 3.96Å; G271-L275 PolarHBondContact O-N 3.46Å; T272-L275 PolarHBondContact O-N 2.67Å; L275-K277 PolarHBondContact O-N 2.94Å; L275-F278 PolarHBondContact O-N 2.93Å; L275-T279 HydrophobicContact CD1-CG2 4Å; L275-T279 HydrophobicContact CG-CG2 4.37Å; L275-T279 WeakPolarHBondContact O-CB 3.31Å; L275-T279 WeakPolarHBondContact O-CG2 3.5Å; L275-T279 PolarHBondContact O-N 3Å; L275-T279 PolarHBondContact O-OG1 3.2Å; L275-I301 HydrophobicContact CD1-CG2 4.46Å; L275-I301 HydrophobicContact CD2-CG2 4.07Å; L275-N304 HydrophobicContact CD1-CB 3.96Å; L275-E305 HydrophobicContact CD1-CG 4.48Å; L275-L308 HydrophobicContact CB-CD1 3.99Å; L275-L308 HydrophobicContact CB-CD2 4.09Å; L275-L308 HydrophobicContact CD1-CD1 4.25Å; L275-L308 VanDerWaalsContact N-CD2 3.29Å; L275-F319 HydrophobicContact CB-CE2 4.5Å; L275-F319 HydrophobicContact CB-CZ 3.89Å; L275-F319 HydrophobicContact CD2-CE2 3.98Å; L275-F319 HydrophobicContact CD2-CZ 3.67Å; L275-F319 HydrophobicContact CG-CZ 4.34Å
276	A	95.9	Very high	93.6	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-58.5	-38.4	174.8	0	0	0	0	0	111.3	T272 L273 A274 T279 G280 C281 S282 M289 L293	T272-A276 PolarHBondContact O-N 2.91Å; L273-A276 PolarHBondContact O-N 3Å; A274-A276 VanDerWaalsContact C-N 3.35Å; A274-A276 PolarHBondContact O-N 2.93Å; A276-T279 PolarHBondContact O-OG1 3.05Å; A276-G280 PolarHBondContact O-N 2.88Å; A276-C281 HydrophobicContact CB-CB 4.34Å; A276-C281 CarbonylContact O-C 3.51Å; A276-C281 WeakPolarHBondContact O-CA 3.43Å; A276-C281 PolarHBondContact O-N 3.2Å; A276-S282 PolarHBondContact O-N 2.84Å; A276-S282 VanDerWaalsContact O-N 3.13Å; A276-M289 HydrophobicContact CB-CG 3.72Å; A276-M289 HydrophobicContact CB-SD 3.3Å; A276-M289 WeakPolarHBondContact CB-SD 3.41Å; A276-L293 HydrophobicContact CB-CD1 4.47Å
277	K	94.6	Very high	93.5	Very high	151 Å²	151	61 Å²	61	66%	0.657	32%	0.321	S	S	*	.	H	α-helix	trans	-64	-50.2	174.6	-173.9	-177.9	176.8	-176.4	0	112.5	L273 A274 L275 T279 G280 S282	L273-K277 PolarHBondContact O-N 3.11Å; A274-K277 WeakPolarHBondContact O-CB 3.44Å; A274-K277 PolarHBondContact O-N 3.11Å; A274-K277 VanDerWaalsContact O-N 3.11Å; L275-K277 PolarHBondContact O-N 2.94Å; K277-T279 VanDerWaalsContact C-N 3.28Å; K277-T279 PolarHBondContact O-N 3.2Å; K277-G280 PolarHBondContact O-N 3.42Å; K277-S282 WeakPolarHBondContact CA-OG 3.47Å; K277-S282 PolarHBondContact N-OG 3.46Å
278	F	93.6	Very high	93.7	Very high	98 Å²	98	61.7 Å²	61.7	43%	0.43	32%	0.324	S	S	.	.	H	α-helix	trans	-67	-28.4	-178.1	-73.1	-65.8	0	0	0	113.6	A274 L275 N304 F307 L308	A274-F278 WeakPolarHBondContact O-CD2 3.43Å; A274-F278 PolarHBondContact O-N 2.8Å; L275-F278 PolarHBondContact O-N 2.93Å; F278-N304 HydrophobicContact CB-CB 4.05Å; F278-F307 HydrophobicContact CD1-CB 4.3Å; F278-F307 HydrophobicContact CD2-CB 4.43Å; F278-F307 HydrophobicContact CE1-CB 4.13Å; F278-F307 HydrophobicContact CE2-CB 4.27Å; F278-F307 HydrophobicContact CG-CB 4.45Å; F278-F307 HydrophobicContact CZ-CB 4.11Å; F278-L308 HydrophobicContact CD2-CD2 3.68Å; F278-L308 HydrophobicContact CE2-CD2 3.98Å
279	T	95.2	Very high	93.8	Very high	5 Å²	5	61.6 Å²	61.6	3%	0.031	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	0.1	176.4	55.8	0	0	0	0	113.5	L275 A276 K277 C281 L293 K296 N304	L275-T279 HydrophobicContact CD1-CG2 4Å; L275-T279 HydrophobicContact CG-CG2 4.37Å; L275-T279 WeakPolarHBondContact O-CB 3.31Å; L275-T279 WeakPolarHBondContact O-CG2 3.5Å; L275-T279 PolarHBondContact O-N 3Å; L275-T279 PolarHBondContact O-OG1 3.2Å; A276-T279 PolarHBondContact O-OG1 3.05Å; K277-T279 VanDerWaalsContact C-N 3.28Å; K277-T279 PolarHBondContact O-N 3.2Å; T279-C281 VanDerWaalsContact C-N 3.27Å; T279-C281 PolarHBondContact O-N 3.32Å; T279-L293 HydrophobicContact CG2-CD2 4.5Å; T279-L293 WeakPolarHBondContact OG1-CD2 3.46Å; T279-K296 WeakPolarHBondContact O-CE 3.12Å; T279-K296 PolarHBondContact O-NZ 3.32Å; T279-N304 HydrophobicContact CG2-CB 4.01Å
280	G	95.9	Very high	93.9	Very high	57 Å²	57	55.9 Å²	55.9	59%	0.588	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	22.8	-176.8	0	0	0	0	0	114.2	A276 K277	A276-G280 PolarHBondContact O-N 2.88Å; K277-G280 PolarHBondContact O-N 3.42Å
281	C	97.1	Very high	94.1	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	30%	0.297	C	S	.	.			trans	-102	12.7	177.2	-73.2	0	0	0	0	114.3	A276 T279 K283 M289 C292 L293 K296	A276-C281 HydrophobicContact CB-CB 4.34Å; A276-C281 CarbonylContact O-C 3.51Å; A276-C281 WeakPolarHBondContact O-CA 3.43Å; A276-C281 PolarHBondContact O-N 3.2Å; T279-C281 VanDerWaalsContact C-N 3.27Å; T279-C281 PolarHBondContact O-N 3.32Å; C281-K283 PolarHBondContact O-N 3Å; C281-K283 VanDerWaalsContact O-N 3.14Å; C281-M289 WeakPolarHBondContact O-CG 3.36Å; C281-C292 WeakPolarHBondContact CA-SG 3.47Å; C281-C292 HydrophobicContact CB-CB 3.63Å; C281-C292 WeakPolarHBondContact CB-SG 3.32Å; C281-C292 WeakPolarHBondContact SG-CB 3.41Å; C281-C292 CovalentContact SG-SG 2.05Å; C281-C292 PolarHBondContact SG-SG 3.36Å; C281-L293 HydrophobicContact CB-CD2 3.93Å; C281-L293 HydrophobicContact CB-CG 3.95Å; C281-K296 WeakPolarHBondContact SG-CE 3.44Å
282	S	94.8	Very high	94.3	Very high	70 Å²	70	56 Å²	56	49%	0.49	30%	0.299	S	S	.	.			trans	-60.8	116.5	170.8	-64.4	0	0	0	0	110.7	A276 K277	A276-S282 PolarHBondContact O-N 2.84Å; A276-S282 VanDerWaalsContact O-N 3.13Å; K277-S282 WeakPolarHBondContact CA-OG 3.47Å; K277-S282 PolarHBondContact N-OG 3.46Å
283	K	92.6	Very high	94.5	Very high	106 Å²	106	56 Å²	56	46%	0.461	30%	0.299	S	S	.	.			trans	-132	159.2	176.2	-56.7	-64	173.2	-173.1	0	109.4	C281 N285 E288 M289	C281-K283 PolarHBondContact O-N 3Å; C281-K283 VanDerWaalsContact O-N 3.14Å; K283-N285 VanDerWaalsContact C-N 3.34Å; K283-E288 HydrophobicContact CB-CB 4.14Å; K283-E288 HydrophobicContact CG-CB 4.11Å; K283-M289 HydrophobicContact CB-CB 4.13Å; K283-M289 HydrophobicContact CG-CB 4.37Å
284	E	88.6	Confident	94.6	Very high	204 Å²	204	53.3 Å²	53.3	95%	0.953	28%	0.284	S	S	*	.	S	Bend	trans	-71.5	-31.5	175.1	-65.1	-176.3	174.4	0	0	112.1
285	N	91.4	Very high	94.8	Very high	71 Å²	71	58.2 Å²	58.2	38%	0.38	31%	0.306	S	S	.	.	S	Bend	trans	-98.7	123.5	178.4	-177.7	-12.1	0	0	0	110.9	K283 T287 E288 M289	K283-N285 VanDerWaalsContact C-N 3.34Å; N285-T287 PolarHBondContact O-N 3.43Å; N285-T287 WeakPolarHBondContact OD1-CB 3.26Å; N285-T287 PolarHBondContact OD1-N 2.74Å; N285-T287 PolarHBondContact OD1-OG1 2.85Å; N285-E288 HydrophobicContact CB-CB 4.24Å; N285-E288 HydrophobicContact CB-CG 4.03Å; N285-E288 PolarHBondContact O-N 3.25Å; N285-E288 VanDerWaalsContact O-N 3.14Å; N285-M289 PolarHBondContact O-N 2.81Å
286	D	91.8	Very high	94.9	Very high	49 Å²	49	60.5 Å²	60.5	26%	0.262	32%	0.315	S	S	.	.	H	α-helix	trans	-55.3	-36.1	177.7	-73.5	-13.2	0	0	0	112.7	L185 M289 I290	L185-D286 HydrophobicContact CD1-CB 3.9Å; D286-M289 HydrophobicContact CB-CE 4.42Å; D286-M289 PolarHBondContact O-N 3.18Å; D286-M289 VanDerWaalsContact OD1-CE 3.23Å; D286-M289 WeakPolarHBondContact OD1-CE 3.49Å; D286-I290 VanDerWaalsContact O-CG1 3.28Å; D286-I290 WeakPolarHBondContact O-CG1 3.33Å; D286-I290 PolarHBondContact O-N 2.72Å
287	T	90.2	Very high	95	Very high	60 Å²	60	64.7 Å²	64.7	37%	0.368	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-47.1	179	-49.8	0	0	0	0	110.7	N285 M289 I290 E291	N285-T287 PolarHBondContact O-N 3.43Å; N285-T287 WeakPolarHBondContact OD1-CB 3.26Å; N285-T287 PolarHBondContact OD1-N 2.74Å; N285-T287 PolarHBondContact OD1-OG1 2.85Å; T287-M289 VanDerWaalsContact C-N 3.31Å; T287-M289 PolarHBondContact O-N 3.38Å; T287-I290 PolarHBondContact O-N 3.03Å; T287-E291 WeakPolarHBondContact O-CG 3.32Å; T287-E291 PolarHBondContact O-N 2.65Å
288	E	94.3	Very high	95.1	Very high	100 Å²	100	57.9 Å²	57.9	47%	0.467	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-35.3	178.5	-66.8	175.4	-163.6	0	0	112.1	K283 N285 E291 C292	K283-E288 HydrophobicContact CB-CB 4.14Å; K283-E288 HydrophobicContact CG-CB 4.11Å; N285-E288 HydrophobicContact CB-CB 4.24Å; N285-E288 HydrophobicContact CB-CG 4.03Å; N285-E288 PolarHBondContact O-N 3.25Å; N285-E288 VanDerWaalsContact O-N 3.14Å; E288-E291 PolarHBondContact O-N 3.25Å; E288-C292 WeakPolarHBondContact O-CB 3.29Å; E288-C292 PolarHBondContact O-N 3.22Å
289	M	96.7	Very high	95.2	Very high	4 Å²	4	57.2 Å²	57.2	2%	0.02	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-46.7	173	168.9	168	35.9	0	0	111.2	L185 L273 A276 C281 K283 N285 D286 T287 C292 L293	L185-M289 HydrophobicContact CD1-CE 4.39Å; L273-M289 HydrophobicContact CD2-CE 3.71Å; L273-M289 HydrophobicContact CD2-SD 3.96Å; A276-M289 HydrophobicContact CB-CG 3.72Å; A276-M289 HydrophobicContact CB-SD 3.3Å; A276-M289 WeakPolarHBondContact CB-SD 3.41Å; C281-M289 WeakPolarHBondContact O-CG 3.36Å; K283-M289 HydrophobicContact CB-CB 4.13Å; K283-M289 HydrophobicContact CG-CB 4.37Å; N285-M289 PolarHBondContact O-N 2.81Å; D286-M289 HydrophobicContact CB-CE 4.42Å; D286-M289 PolarHBondContact O-N 3.18Å; D286-M289 VanDerWaalsContact OD1-CE 3.23Å; D286-M289 WeakPolarHBondContact OD1-CE 3.49Å; T287-M289 VanDerWaalsContact C-N 3.31Å; T287-M289 PolarHBondContact O-N 3.38Å; M289-C292 WeakPolarHBondContact O-CB 3.07Å; M289-C292 PolarHBondContact O-N 3.04Å; M289-L293 HydrophobicContact CG-CD1 4.2Å; M289-L293 WeakPolarHBondContact O-CG 3.15Å; M289-L293 PolarHBondContact O-N 2.9Å
290	I	96.3	Very high	95.2	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-63.4	-44.2	175.8	-65.9	165.9	0	0	0	110.7	F72 L185 E190 A191 D286 T287 C292 L293 Q294	F72-I290 HydrophobicContact CD2-CG2 4.25Å; L185-I290 HydrophobicContact CD1-CD1 4.01Å; L185-I290 HydrophobicContact CD1-CG1 4.16Å; E190-I290 HydrophobicContact CB-CD1 3.6Å; E190-I290 HydrophobicContact CB-CG2 4.09Å; A191-I290 HydrophobicContact CB-CD1 3.66Å; A191-I290 HydrophobicContact CB-CG1 4.09Å; D286-I290 VanDerWaalsContact O-CG1 3.28Å; D286-I290 WeakPolarHBondContact O-CG1 3.33Å; D286-I290 PolarHBondContact O-N 2.72Å; T287-I290 PolarHBondContact O-N 3.03Å; I290-C292 VanDerWaalsContact C-N 3.28Å; I290-C292 PolarHBondContact O-N 2.86Å; I290-L293 CarbonylContact O-C 3.56Å; I290-L293 PolarHBondContact O-N 2.82Å; I290-L293 VanDerWaalsContact O-N 3.15Å; I290-Q294 HydrophobicContact CG2-CG 4.12Å; I290-Q294 WeakPolarHBondContact O-CB 3.31Å; I290-Q294 VanDerWaalsContact O-CG 3.32Å; I290-Q294 WeakPolarHBondContact O-CG 3.34Å; I290-Q294 PolarHBondContact O-N 3.05Å
291	E	96.6	Very high	95.2	Very high	71 Å²	71	57.7 Å²	57.7	33%	0.332	29%	0.294	S	S	.	.	H	α-helix	trans	-59.4	-40	176.5	-69.7	-164.2	143	0	0	112	R69 T287 E288 Q294 N295	R69-E291 IonicContact CZ-OE1 3.81Å; R69-E291 VanDerWaalsContact NH1-CD 3.35Å; R69-E291 IonicContact NH1-OE1 3.36Å; R69-E291 PolarHBondContact NH1-OE1 2.72Å; R69-E291 IonicContact NH2-OE1 3.31Å; R69-E291 PolarHBondContact NH2-OE1 3Å; R69-E291 VanDerWaalsContact NH2-OE1 3.15Å; T287-E291 WeakPolarHBondContact O-CG 3.32Å; T287-E291 PolarHBondContact O-N 2.65Å; E288-E291 PolarHBondContact O-N 3.25Å; E291-Q294 PolarHBondContact O-N 3.12Å; E291-N295 PolarHBondContact O-N 3.29Å; E291-N295 PolarHBondContact O-ND2 3.5Å
292	C	97.7	Very high	95	Very high	31 Å²	31	57.8 Å²	57.8	21%	0.209	29%	0.294	C	S	.	.	H	α-helix	trans	-60.4	-49.4	173.3	-178.9	0	0	0	0	111.4	C281 E288 M289 I290 Q294 N295 K296	C281-C292 WeakPolarHBondContact CA-SG 3.47Å; C281-C292 HydrophobicContact CB-CB 3.63Å; C281-C292 WeakPolarHBondContact CB-SG 3.32Å; C281-C292 WeakPolarHBondContact SG-CB 3.41Å; C281-C292 CovalentContact SG-SG 2.05Å; C281-C292 PolarHBondContact SG-SG 3.36Å; E288-C292 WeakPolarHBondContact O-CB 3.29Å; E288-C292 PolarHBondContact O-N 3.22Å; M289-C292 WeakPolarHBondContact O-CB 3.07Å; M289-C292 PolarHBondContact O-N 3.04Å; I290-C292 VanDerWaalsContact C-N 3.28Å; I290-C292 PolarHBondContact O-N 2.86Å; C292-Q294 VanDerWaalsContact C-N 3.31Å; C292-Q294 PolarHBondContact O-N 3.28Å; C292-N295 PolarHBondContact O-N 3.14Å; C292-N295 VanDerWaalsContact O-N 3.1Å; C292-K296 PolarHBondContact O-N 3.28Å
293	L	97.7	Very high	94.7	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.7	-34.4	178.3	-68.6	168.3	0	0	0	112.6	R71 F72 L183 A276 T279 C281 M289 I290 N295 K296	R71-L293 PolarHBondContact NH1-O 3.26Å; F72-L293 HydrophobicContact CE2-CB 3.81Å; F72-L293 HydrophobicContact CZ-CB 4.19Å; L183-L293 HydrophobicContact CD1-CD1 3.97Å; A276-L293 HydrophobicContact CB-CD1 4.47Å; T279-L293 HydrophobicContact CG2-CD2 4.5Å; T279-L293 WeakPolarHBondContact OG1-CD2 3.46Å; C281-L293 HydrophobicContact CB-CD2 3.93Å; C281-L293 HydrophobicContact CB-CG 3.95Å; M289-L293 HydrophobicContact CG-CD1 4.2Å; M289-L293 WeakPolarHBondContact O-CG 3.15Å; M289-L293 PolarHBondContact O-N 2.9Å; I290-L293 CarbonylContact O-C 3.56Å; I290-L293 PolarHBondContact O-N 2.82Å; I290-L293 VanDerWaalsContact O-N 3.15Å; L293-N295 PolarHBondContact O-N 3.28Å; L293-K296 PolarHBondContact O-N 2.59Å
294	Q	97.5	Very high	94.7	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.037	27%	0.273	C	S	.	.	H	α-helix	trans	-64.5	-29.3	174.3	-76	-179.4	-20	0	0	112.6	R69 R71 F72 I290 E291 C292	R69-Q294 PolarHBondContact O-NE2 2.93Å; R71-Q294 HydrophobicContact CB-CG 4.31Å; R71-Q294 PolarHBondContact NH1-O 2.93Å; R71-Q294 VanDerWaalsContact NH1-O 3.11Å; R71-Q294 PolarHBondContact O-NE2 2.96Å; F72-Q294 HydrophobicContact CD2-CG 3.89Å; F72-Q294 HydrophobicContact CE2-CG 4.03Å; I290-Q294 HydrophobicContact CG2-CG 4.12Å; I290-Q294 WeakPolarHBondContact O-CB 3.31Å; I290-Q294 VanDerWaalsContact O-CG 3.32Å; I290-Q294 WeakPolarHBondContact O-CG 3.34Å; I290-Q294 PolarHBondContact O-N 3.05Å; E291-Q294 PolarHBondContact O-N 3.12Å; C292-Q294 VanDerWaalsContact C-N 3.31Å; C292-Q294 PolarHBondContact O-N 3.28Å
295	N	97.3	Very high	94.6	Very high	135 Å²	135	43.8 Å²	43.8	72%	0.722	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-5.7	178.5	-69	-42.5	0	0	0	113.7	E291 C292 L293	E291-N295 PolarHBondContact O-N 3.29Å; E291-N295 PolarHBondContact O-ND2 3.5Å; C292-N295 PolarHBondContact O-N 3.14Å; C292-N295 VanDerWaalsContact O-N 3.1Å; L293-N295 PolarHBondContact O-N 3.28Å
296	K	97.9	Very high	93.9	Very high	48 Å²	48	46.5 Å²	46.5	21%	0.209	23%	0.233	C	C	.	.	S	Bend	trans	-72	152.5	175.5	-68.5	-58.1	-167.9	154.4	0	112	R71 T279 C281 C292 L293 E300 I301	R71-K296 PolarHBondContact NH1-O 3.36Å; R71-K296 PolarHBondContact NH2-O 2.68Å; T279-K296 WeakPolarHBondContact O-CE 3.12Å; T279-K296 PolarHBondContact O-NZ 3.32Å; C281-K296 WeakPolarHBondContact SG-CE 3.44Å; C292-K296 PolarHBondContact O-N 3.28Å; L293-K296 PolarHBondContact O-N 2.59Å; K296-E300 WeakPolarHBondContact CE-OE1 3.29Å; K296-E300 IonicContact NZ-OE1 3.85Å; K296-E300 PolarHBondContact NZ-OE1 3.06Å; K296-E300 IonicContact NZ-OE2 3.76Å; K296-I301 HydrophobicContact CB-CD1 4.22Å; K296-I301 HydrophobicContact CB-CG1 4.11Å
297	D	97.8	Very high	93.1	Very high	88 Å²	88	49.7 Å²	49.7	47%	0.471	24%	0.244	S	C	.	.			trans	-65.2	135.9	166.4	-174	-88.1	0	0	0	109.4	Q299 E300 I301	D297-Q299 PolarHBondContact O-N 3.34Å; D297-Q299 WeakPolarHBondContact OD1-CA 3.47Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.47Å; D297-Q299 PolarHBondContact OD1-N 3.25Å; D297-E300 HydrophobicContact CB-CB 4.32Å; D297-E300 WeakPolarHBondContact O-CB 3.46Å; D297-E300 PolarHBondContact O-N 2.94Å; D297-I301 PolarHBondContact O-N 2.87Å
298	P	96.5	Very high	92.2	Very high	8 Å²	8	47.5 Å²	47.5	5%	0.052	23%	0.231	C	C	.	.	H	α-helix	trans	-54.4	-36.5	178	-26.9	35.4	0	0	0	113.2	Y95 E119 L180 E300 I301 L302	Y95-P298 HydrophobicContact CD1-CB 3.98Å; Y95-P298 HydrophobicContact CD2-CB 3.57Å; Y95-P298 HydrophobicContact CD2-CG 3.98Å; Y95-P298 HydrophobicContact CE1-CB 4Å; Y95-P298 HydrophobicContact CE2-CB 3.6Å; Y95-P298 HydrophobicContact CE2-CG 3.65Å; Y95-P298 HydrophobicContact CG-CB 3.77Å; E119-P298 HydrophobicContact CG-CB 4.41Å; E119-P298 HydrophobicContact CG-CG 3.84Å; E119-P298 WeakPolarHBondContact OE2-CG 3.34Å; L180-P298 HydrophobicContact CD1-CB 4.35Å; P298-E300 VanDerWaalsContact C-N 3.32Å; P298-E300 PolarHBondContact O-N 3.24Å; P298-I301 WeakPolarHBondContact O-CB 3.47Å; P298-I301 PolarHBondContact O-N 3.2Å; P298-L302 WeakPolarHBondContact O-CG 3.17Å; P298-L302 PolarHBondContact O-N 3.13Å
299	Q	94.8	Very high	90.5	Very high	84 Å²	84	46.9 Å²	46.9	39%	0.393	23%	0.23	S	C	.	.	H	α-helix	trans	-66.2	-35.9	178.6	-167.3	62.3	35	0	0	111.6	D297 I301 L302 V303	D297-Q299 PolarHBondContact O-N 3.34Å; D297-Q299 WeakPolarHBondContact OD1-CA 3.47Å; D297-Q299 WeakPolarHBondContact OD1-CB 3.47Å; D297-Q299 PolarHBondContact OD1-N 3.25Å; Q299-I301 VanDerWaalsContact C-N 3.31Å; Q299-I301 PolarHBondContact O-N 3.26Å; Q299-L302 PolarHBondContact O-N 2.78Å; Q299-V303 HydrophobicContact CG-CG2 4.41Å; Q299-V303 VanDerWaalsContact O-CG2 3.29Å; Q299-V303 WeakPolarHBondContact O-CG2 3.42Å; Q299-V303 PolarHBondContact O-N 3.32Å
300	E	95.8	Very high	88.3	Confident	72 Å²	72	50.1 Å²	50.1	34%	0.336	25%	0.251	S	S	.	.	H	α-helix	trans	-63.4	-39.5	175.5	-169.1	-176.2	152.1	0	0	111.1	K296 D297 P298 N304	K296-E300 WeakPolarHBondContact CE-OE1 3.29Å; K296-E300 IonicContact NZ-OE1 3.85Å; K296-E300 PolarHBondContact NZ-OE1 3.06Å; K296-E300 IonicContact NZ-OE2 3.76Å; D297-E300 HydrophobicContact CB-CB 4.32Å; D297-E300 WeakPolarHBondContact O-CB 3.46Å; D297-E300 PolarHBondContact O-N 2.94Å; P298-E300 VanDerWaalsContact C-N 3.32Å; P298-E300 PolarHBondContact O-N 3.24Å; E300-N304 PolarHBondContact O-N 3.47Å; E300-N304 PolarHBondContact O-ND2 3.36Å
301	I	96.2	Very high	86	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-61.1	-54.7	173.3	-68.4	167.2	0	0	0	109.9	F72 A179 L180 L275 K296 D297 P298 Q299 V303 N304 E305	F72-I301 HydrophobicContact CZ-CD1 4.03Å; A179-I301 HydrophobicContact CB-CG2 3.74Å; L180-I301 HydrophobicContact CD2-CD1 4.03Å; L275-I301 HydrophobicContact CD1-CG2 4.46Å; L275-I301 HydrophobicContact CD2-CG2 4.07Å; K296-I301 HydrophobicContact CB-CD1 4.22Å; K296-I301 HydrophobicContact CB-CG1 4.11Å; D297-I301 PolarHBondContact O-N 2.87Å; P298-I301 WeakPolarHBondContact O-CB 3.47Å; P298-I301 PolarHBondContact O-N 3.2Å; Q299-I301 VanDerWaalsContact C-N 3.31Å; Q299-I301 PolarHBondContact O-N 3.26Å; I301-V303 VanDerWaalsContact C-N 3.35Å; I301-V303 PolarHBondContact O-N 3.33Å; I301-N304 PolarHBondContact O-N 2.89Å; I301-E305 WeakPolarHBondContact O-CG 3.49Å; I301-E305 PolarHBondContact O-N 3.49Å
302	L	92.3	Very high	83.9	Confident	2 Å²	2	53.5 Å²	53.5	1%	0.01	28%	0.28	C	S	.	.	H	α-helix	trans	-59.2	-40.7	-175.2	-68.1	176.1	0	0	0	113.8	Y95 N97 P298 Q299 N304 E305	Y95-L302 HydrophobicContact CD1-CD1 3.74Å; Y95-L302 HydrophobicContact CG-CD1 4.3Å; N97-L302 PolarHBondContact ND2-O 2.71Å; P298-L302 WeakPolarHBondContact O-CG 3.17Å; P298-L302 PolarHBondContact O-N 3.13Å; Q299-L302 PolarHBondContact O-N 2.78Å; L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.31Å; L302-E305 PolarHBondContact O-N 3.29Å
303	V	89.9	Confident	82.2	Confident	62 Å²	62	53.4 Å²	53.4	38%	0.376	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-39.2	177.7	169.7	0	0	0	0	110.4	Q299 I301 R306 F307	Q299-V303 HydrophobicContact CG-CG2 4.41Å; Q299-V303 VanDerWaalsContact O-CG2 3.29Å; Q299-V303 WeakPolarHBondContact O-CG2 3.42Å; Q299-V303 PolarHBondContact O-N 3.32Å; I301-V303 VanDerWaalsContact C-N 3.35Å; I301-V303 PolarHBondContact O-N 3.33Å; V303-R306 PolarHBondContact O-N 3.24Å; V303-F307 HydrophobicContact CG1-CE2 4.29Å
304	N	91.2	Very high	80.8	Confident	22 Å²	22	56.4 Å²	56.4	12%	0.118	30%	0.295	C	S	.	.	H	α-helix	trans	-76.7	-20.4	-179.7	-75.8	-69.7	0	0	0	113.8	L275 F278 T279 E300 I301 L302 R306 F307	L275-N304 HydrophobicContact CD1-CB 3.96Å; F278-N304 HydrophobicContact CB-CB 4.05Å; T279-N304 HydrophobicContact CG2-CB 4.01Å; E300-N304 PolarHBondContact O-N 3.47Å; E300-N304 PolarHBondContact O-ND2 3.36Å; I301-N304 PolarHBondContact O-N 2.89Å; L302-N304 VanDerWaalsContact C-N 3.29Å; L302-N304 PolarHBondContact O-N 3.31Å; N304-R306 PolarHBondContact O-N 3.5Å; N304-F307 PolarHBondContact O-N 3.28Å; N304-F307 VanDerWaalsContact O-N 3.17Å
305	E	87.6	Confident	79.8	Confident	2 Å²	2	57.2 Å²	57.2	1%	0.009	30%	0.3	C	S	.	.	H	α-helix	trans	-58.1	-32.8	171.9	-62.9	-170.4	-167.5	0	0	112.3	A179 L275 I301 L302 F307 L308 N318 F319	A179-E305 HydrophobicContact CB-CG 4.45Å; A179-E305 WeakPolarHBondContact CB-OE1 3.22Å; A179-E305 PolarHBondContact N-OE1 3.11Å; L275-E305 HydrophobicContact CD1-CG 4.48Å; I301-E305 WeakPolarHBondContact O-CG 3.49Å; I301-E305 PolarHBondContact O-N 3.49Å; L302-E305 PolarHBondContact O-N 3.29Å; E305-F307 PolarHBondContact O-N 2.78Å; E305-L308 HydrophobicContact CB-CD1 4.45Å; E305-L308 VanDerWaalsContact O-CB 3.31Å; E305-L308 WeakPolarHBondContact O-CB 3.25Å; E305-L308 PolarHBondContact O-N 2.92Å; E305-L308 VanDerWaalsContact O-N 3.1Å; E305-N318 PolarHBondContact O-ND2 3.49Å; E305-F319 HydrophobicContact CG-CD2 4.17Å; E305-F319 HydrophobicContact CG-CE2 3.97Å
306	R	76.2	Confident	78.7	Confident	128 Å²	128	52.7 Å²	52.7	48%	0.483	28%	0.279	S	S	.	.	G	3₁₀ helix	trans	-65.2	-27	-179.9	-62.3	-179.2	-178.3	-166.6	-6.5	113.2	N97 V303 N304 L308	N97-R306 PolarHBondContact OD1-NE 2.91Å; N97-R306 VanDerWaalsContact OD1-NE 3.1Å; N97-R306 PolarHBondContact OD1-NH2 3.28Å; V303-R306 PolarHBondContact O-N 3.24Å; N304-R306 PolarHBondContact O-N 3.5Å; R306-L308 VanDerWaalsContact C-N 3.33Å
307	F	75	Confident	78.2	Confident	116 Å²	116	50.8 Å²	50.8	51%	0.509	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-86.3	-8.4	177.9	-53.6	-59.7	0	0	0	113	F278 V303 N304 E305 L309	F278-F307 HydrophobicContact CD1-CB 4.3Å; F278-F307 HydrophobicContact CD2-CB 4.43Å; F278-F307 HydrophobicContact CE1-CB 4.13Å; F278-F307 HydrophobicContact CE2-CB 4.27Å; F278-F307 HydrophobicContact CG-CB 4.45Å; F278-F307 HydrophobicContact CZ-CB 4.11Å; V303-F307 HydrophobicContact CG1-CE2 4.29Å; N304-F307 PolarHBondContact O-N 3.28Å; N304-F307 VanDerWaalsContact O-N 3.17Å; E305-F307 PolarHBondContact O-N 2.78Å; F307-L309 PolarHBondContact O-N 2.92Å
308	L	70.8	Confident	77.6	Confident	15 Å²	15	47.5 Å²	47.5	8%	0.079	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-73.9	-17.2	177	-61.6	177.5	0	0	0	112.9	A274 L275 F278 E305 R306 P310 N318 F319	A274-L308 VanDerWaalsContact C-CD2 3.5Å; A274-L308 HydrophobicContact CB-CD2 3.51Å; L275-L308 HydrophobicContact CB-CD1 3.99Å; L275-L308 HydrophobicContact CB-CD2 4.09Å; L275-L308 HydrophobicContact CD1-CD1 4.25Å; L275-L308 VanDerWaalsContact N-CD2 3.29Å; F278-L308 HydrophobicContact CD2-CD2 3.68Å; F278-L308 HydrophobicContact CE2-CD2 3.98Å; E305-L308 HydrophobicContact CB-CD1 4.45Å; E305-L308 VanDerWaalsContact O-CB 3.31Å; E305-L308 WeakPolarHBondContact O-CB 3.25Å; E305-L308 PolarHBondContact O-N 2.92Å; E305-L308 VanDerWaalsContact O-N 3.1Å; R306-L308 VanDerWaalsContact C-N 3.33Å; L308-P310 WeakPolarHBondContact O-CD 3.2Å; L308-N318 HydrophobicContact CB-CB 4.47Å; L308-N318 HydrophobicContact CD1-CB 4.47Å; L308-F319 HydrophobicContact CD1-CD2 4.17Å; L308-F319 HydrophobicContact CD1-CE2 3.15Å; L308-F319 HydrophobicContact CD1-CZ 3.51Å
309	L	58.8	Low	77.6	Confident	87 Å²	87	47.3 Å²	47.3	46%	0.455	25%	0.252	S	S	.	.			trans	-55.1	105.7	167.1	-63.6	171.9	0	0	0	107	F307	F307-L309 PolarHBondContact O-N 2.92Å
310	P	50.3	Low	77.6	Confident	72 Å²	72	43.5 Å²	43.5	47%	0.468	24%	0.235	S	C	.	.			trans	-64	164.1	145.5	-3	29.3	0	0	0	103.8	L308 D312	L308-P310 WeakPolarHBondContact O-CD 3.2Å; P310-D312 HydrophobicContact CB-CB 4.37Å; P310-D312 WeakPolarHBondContact CB-OD2 3.42Å; P310-D312 HydrophobicContact CG-CB 4.48Å; P310-D312 WeakPolarHBondContact CG-OD2 3.34Å; P310-D312 PolarHBondContact O-N 3.28Å
311	S	48.6	Very low	77.7	Confident	109 Å²	109	40.1 Å²	40.1	76%	0.762	22%	0.219	S	C	*	.	S	Bend	trans	-61.4	65.2	170.7	50	0	0	0	0	111.9	P388	S311-P388 WeakPolarHBondContact O-CB 3.31Å; S311-P388 WeakPolarHBondContact O-CG 3.44Å
312	D	51.7	Low	77.8	Confident	35 Å²	35	40.1 Å²	40.1	19%	0.187	22%	0.219	C	C	.	.			trans	-115.9	-25.1	-159.6	-92.4	-21.1	0	0	0	115.4	P310 P388 R389	P310-D312 HydrophobicContact CB-CB 4.37Å; P310-D312 WeakPolarHBondContact CB-OD2 3.42Å; P310-D312 HydrophobicContact CG-CB 4.48Å; P310-D312 WeakPolarHBondContact CG-OD2 3.34Å; P310-D312 PolarHBondContact O-N 3.28Å; D312-P388 WeakPolarHBondContact O-CD 3.46Å; D312-P388 WeakPolarHBondContact O-CG 3.45Å; D312-R389 IonicContact OD1-CZ 2.71Å; D312-R389 IonicContact OD1-NE 3.34Å; D312-R389 PolarHBondContact OD1-NE 3.18Å; D312-R389 IonicContact OD1-NH2 2.68Å; D312-R389 IonicContact OD2-CZ 2.71Å; D312-R389 IonicContact OD2-NE 2.73Å; D312-R389 IonicContact OD2-NH2 2.71Å; D312-R389 PolarHBondContact OD2-NH2 2.97Å
313	S	63.1	Low	78	Confident	29 Å²	29	41.1 Å²	41.1	20%	0.203	23%	0.225	C	C	.	.			trans	168.8	149	161.6	-173.5	0	0	0	0	110	L315 S316 M385 Y386	S313-L315 PolarHBondContact O-N 3.16Å; S313-L315 PolarHBondContact OG-N 3.39Å; S313-S316 WeakPolarHBondContact O-CB 3.4Å; S313-S316 PolarHBondContact O-N 2.77Å; S313-S316 VanDerWaalsContact O-N 3.14Å; S313-M385 WeakPolarHBondContact CA-O 3.12Å; S313-Y386 VanDerWaalsContact CB-O 3.3Å; S313-Y386 WeakPolarHBondContact CB-O 3.44Å; S313-Y386 PolarHBondContact OG-O 2.87Å
314	L	67	Low	78.3	Confident	62 Å²	62	39.5 Å²	39.5	33%	0.325	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-18.9	172.4	-79.6	175.3	0	0	0	114	A363 M385 Y386	L314-A363 HydrophobicContact CD1-CB 4.37Å; L314-M385 HydrophobicContact CD1-CG 4.07Å; L314-M385 HydrophobicContact CD1-SD 3.36Å; L314-M385 WeakPolarHBondContact CD1-SD 3.48Å; L314-M385 HydrophobicContact CD2-SD 4.04Å; L314-M385 HydrophobicContact CG-CG 3.88Å; L314-M385 HydrophobicContact CG-SD 3.6Å; L314-Y386 HydrophobicContact CB-CD1 4.09Å; L314-Y386 HydrophobicContact CB-CE1 3.53Å; L314-Y386 HydrophobicContact CB-CE2 4.39Å; L314-Y386 HydrophobicContact CD1-CD2 4.4Å; L314-Y386 HydrophobicContact CD1-CE1 4.26Å; L314-Y386 HydrophobicContact CD1-CE2 3.64Å; L314-Y386 WeakPolarHBondContact CD1-OH 3.32Å; L314-Y386 HydrophobicContact CG-CE1 4.47Å
315	L	76.5	Confident	78.5	Confident	25 Å²	25	41.1 Å²	41.1	13%	0.131	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	6.7	177.2	-82	172.9	0	0	0	113.4	S313 I317 F358 Y386 I422 N426	S313-L315 PolarHBondContact O-N 3.16Å; S313-L315 PolarHBondContact OG-N 3.39Å; L315-I317 PolarHBondContact O-N 3.12Å; L315-F358 HydrophobicContact CD1-CB 4.38Å; L315-F358 HydrophobicContact CD1-CD2 3.93Å; L315-F358 HydrophobicContact CD1-CE2 4.39Å; L315-F358 HydrophobicContact CD1-CG 4.09Å; L315-F358 HydrophobicContact CD2-CB 4.13Å; L315-F358 HydrophobicContact CD2-CD1 3.3Å; L315-F358 HydrophobicContact CD2-CD2 3.9Å; L315-F358 HydrophobicContact CD2-CE1 3.52Å; L315-F358 HydrophobicContact CD2-CE2 4.1Å; L315-F358 HydrophobicContact CD2-CG 3.49Å; L315-F358 VanDerWaalsContact CD2-CG 3.49Å; L315-F358 HydrophobicContact CD2-CZ 3.92Å; L315-F358 HydrophobicContact CG-CB 4.23Å; L315-F358 HydrophobicContact CG-CD1 4.29Å; L315-F358 HydrophobicContact CG-CD2 4.36Å; L315-F358 HydrophobicContact CG-CG 4.04Å; L315-Y386 HydrophobicContact CD1-CE1 4.05Å; L315-Y386 HydrophobicContact CG-CE1 4.03Å; L315-I422 HydrophobicContact CD1-CG2 3.59Å; L315-N426 HydrophobicContact CD1-CB 4.17Å
316	S	75.6	Confident	78.8	Confident	40 Å²	40	44.1 Å²	44.1	28%	0.28	25%	0.252	S	S	.	.			trans	-67.2	128.3	179.6	-171.4	0	0	0	0	110.9	S313	S313-S316 WeakPolarHBondContact O-CB 3.4Å; S313-S316 PolarHBondContact O-N 2.77Å; S313-S316 VanDerWaalsContact O-N 3.14Å
317	I	86.3	Confident	79.8	Confident	8 Å²	8	38 Å²	38	4%	0.041	23%	0.23	C	C	.	.			trans	-88.3	128.6	173.8	-65.8	177.8	0	0	0	107.7	G146 F147 Q148 W260 K263 L315 F319	G146-I317 WeakPolarHBondContact O-CD1 3.44Å; G146-I317 WeakPolarHBondContact O-CG1 3.35Å; G146-I317 WeakPolarHBondContact O-CG2 3.32Å; F147-I317 HydrophobicContact CB-CG2 4.41Å; F147-I317 HydrophobicContact CD2-CD1 3.85Å; F147-I317 HydrophobicContact CE2-CD1 4.48Å; Q148-I317 HydrophobicContact CG-CG2 4.49Å; Q148-I317 VanDerWaalsContact NE2-CA 3.32Å; W260-I317 HydrophobicContact CB-CD1 4Å; W260-I317 HydrophobicContact CB-CG1 4.27Å; W260-I317 HydrophobicContact CD2-CD1 3.99Å; W260-I317 HydrophobicContact CE3-CD1 3.37Å; W260-I317 HydrophobicContact CG-CD1 4.29Å; W260-I317 HydrophobicContact CZ3-CD1 4.19Å; W260-I317 WeakPolarHBondContact O-CD1 3.21Å; K263-I317 WeakPolarHBondContact CE-O 3.5Å; K263-I317 PolarHBondContact NZ-O 3.13Å; L315-I317 PolarHBondContact O-N 3.12Å; I317-F319 VanDerWaalsContact CG2-O 3.23Å; I317-F319 WeakPolarHBondContact CG2-O 3.18Å
318	N	86.3	Confident	80.9	Confident	20 Å²	20	32.5 Å²	32.5	11%	0.107	21%	0.205	C	C	.	.	S	Bend	trans	-75.6	-49.1	-179.7	-67.8	-40.2	0	0	0	111.6	K263 E305 L308	K263-N318 WeakPolarHBondContact CE-O 3.41Å; E305-N318 PolarHBondContact O-ND2 3.49Å; L308-N318 HydrophobicContact CB-CB 4.47Å; L308-N318 HydrophobicContact CD1-CB 4.47Å
319	F	94.6	Very high	82.1	Confident	4 Å²	4	35.4 Å²	35.4	2%	0.018	22%	0.224	C	C	.	.	S	Bend	trans	-123.9	121.2	177.4	-66.7	-78.5	0	0	0	109.4	G178 A179 F182 L183 L275 E305 L308 I317	G178-F319 VanDerWaalsContact C-CB 3.43Å; G178-F319 WeakPolarHBondContact O-CB 3.22Å; A179-F319 HydrophobicContact CB-CD1 4.4Å; A179-F319 HydrophobicContact CB-CD2 3.71Å; A179-F319 HydrophobicContact CB-CE1 4.37Å; A179-F319 HydrophobicContact CB-CE2 3.65Å; A179-F319 HydrophobicContact CB-CG 4.09Å; A179-F319 HydrophobicContact CB-CZ 4.02Å; F182-F319 HydrophobicContact CB-CB 3.9Å; L183-F319 HydrophobicContact CB-CD1 4.49Å; L183-F319 HydrophobicContact CB-CE1 4.42Å; L183-F319 HydrophobicContact CG-CE1 4.47Å; L275-F319 HydrophobicContact CB-CE2 4.5Å; L275-F319 HydrophobicContact CB-CZ 3.89Å; L275-F319 HydrophobicContact CD2-CE2 3.98Å; L275-F319 HydrophobicContact CD2-CZ 3.67Å; L275-F319 HydrophobicContact CG-CZ 4.34Å; E305-F319 HydrophobicContact CG-CD2 4.17Å; E305-F319 HydrophobicContact CG-CE2 3.97Å; L308-F319 HydrophobicContact CD1-CD2 4.17Å; L308-F319 HydrophobicContact CD1-CE2 3.15Å; L308-F319 HydrophobicContact CD1-CZ 3.51Å; I317-F319 VanDerWaalsContact CG2-O 3.23Å; I317-F319 WeakPolarHBondContact CG2-O 3.18Å
320	G	95.6	Very high	83.8	Confident	3 Å²	3	34.4 Å²	34.4	3%	0.031	22%	0.219	C	C	.	.			trans	-155	-173.7	-180	0	0	0	0	0	110.7
321	P	98.3	Very high	85.9	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.006	21%	0.213	C	C	.	.			trans	-52.7	146	178.7	-28.1	34.6	0	0	0	113.8	F147 F182 N194 L197 L235 A261 V262 K263	F147-P321 HydrophobicContact CD1-CG 4.23Å; F147-P321 VanDerWaalsContact CD2-CD 3.49Å; F147-P321 HydrophobicContact CD2-CG 4.29Å; F147-P321 HydrophobicContact CE1-CG 3.75Å; F147-P321 VanDerWaalsContact CE2-CD 3.49Å; F147-P321 HydrophobicContact CE2-CG 3.84Å; F147-P321 HydrophobicContact CG-CG 4.49Å; F147-P321 HydrophobicContact CZ-CG 3.55Å; F182-P321 HydrophobicContact CD1-CG 4.39Å; F182-P321 HydrophobicContact CE1-CG 3.93Å; N194-P321 WeakPolarHBondContact OD1-CA 3.48Å; L197-P321 HydrophobicContact CD1-CB 3.94Å; L197-P321 HydrophobicContact CD1-CG 3.99Å; L197-P321 HydrophobicContact CG-CG 4.48Å; L235-P321 HydrophobicContact CD1-CB 3.86Å; L235-P321 HydrophobicContact CD1-CG 3.7Å; A261-P321 WeakPolarHBondContact O-CD 3.33Å; A261-P321 WeakPolarHBondContact O-CG 3.44Å; V262-P321 CarbonylContact C-O 3.47Å; V262-P321 WeakPolarHBondContact CA-O 3.33Å; V262-P321 HydrophobicContact CG2-CB 4.2Å; K263-P321 PolarHBondContact N-O 2.92Å
322	T	97.8	Very high	88.1	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-139.9	162.9	175.5	-174.9	0	0	0	0	110.6	A184 N194 K263 A268 D324	A184-T322 HydrophobicContact CB-CG2 3.78Å; N194-T322 PolarHBondContact ND2-O 3.1Å; N194-T322 PolarHBondContact OD1-N 3.08Å; N194-T322 PolarHBondContact OD1-O 2.96Å; K263-T322 PolarHBondContact O-OG1 2.93Å; A268-T322 HydrophobicContact CB-CG2 4.26Å; T322-D324 PolarHBondContact O-N 3.44Å; T322-D324 VanDerWaalsContact O-N 3.17Å
323	V	97.3	Very high	89.9	Confident	24 Å²	24	33 Å²	33	15%	0.145	19%	0.193	C	C	.	.			trans	-71.6	105.8	168	-176.6	0	0	0	0	108.8	P265 M331	P265-V323 HydrophobicContact CG-CB 4.02Å; V323-M331 HydrophobicContact CG2-CG 4.11Å; V323-M331 HydrophobicContact CG2-SD 3.53Å; V323-M331 VanDerWaalsContact CG2-SD 3.53Å
324	D	95.5	Very high	91.3	Very high	27 Å²	27	33.8 Å²	33.8	14%	0.144	20%	0.196	C	C	.	.			trans	-103.2	-8.2	-176.4	64.7	-15.1	0	0	0	113.2	N194 T322 D326 F327 L328	N194-D324 PolarHBondContact ND2-OD1 3.41Å; N194-D324 PolarHBondContact ND2-OD2 2.87Å; T322-D324 PolarHBondContact O-N 3.44Å; T322-D324 VanDerWaalsContact O-N 3.17Å; D324-D326 PolarHBondContact O-N 3.41Å; D324-D326 PolarHBondContact OD1-N 3.18Å; D324-F327 PolarHBondContact OD1-N 2.79Å; D324-F327 PolarHBondContact OD2-N 3Å; D324-L328 PolarHBondContact N-O 3.34Å; D324-L328 PolarHBondContact OD1-N 2.9Å
325	G	94.8	Very high	92.6	Very high	56 Å²	56	30.9 Å²	30.9	58%	0.577	18%	0.181	S	C	*	.	S	Bend	trans	75.9	8.6	-174.8	0	0	0	0	0	113.9	L328	G325-L328 WeakPolarHBondContact CA-O 3.41Å; G325-L328 PolarHBondContact N-O 3.22Å
326	D	95.3	Very high	93.3	Very high	65 Å²	65	30 Å²	30	35%	0.348	18%	0.176	S	C	.	.	S	Bend	trans	-131.3	-64.5	-176.5	-168.4	-40.6	0	0	0	112	K74 F198 Q241 D324	K74-D326 IonicContact NZ-OD1 2.68Å; K74-D326 PolarHBondContact NZ-OD1 3.11Å; K74-D326 IonicContact NZ-OD2 3.26Å; K74-D326 PolarHBondContact NZ-OD2 2.97Å; F198-D326 HydrophobicContact CZ-CB 4.27Å; Q241-D326 PolarHBondContact NE2-O 2.91Å; D324-D326 PolarHBondContact O-N 3.41Å; D324-D326 PolarHBondContact OD1-N 3.18Å
327	F	97.6	Very high	94	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	19%	0.19	C	C	.	.	S	Bend	trans	-74.4	-46.8	171.5	-166.3	-75.8	0	0	0	110.6	N194 L197 F198 Q201 L235 H236 C239 D324	N194-F327 HydrophobicContact CB-CB 4.35Å; L197-F327 HydrophobicContact CB-CD1 4.45Å; L197-F327 HydrophobicContact CB-CD2 3.89Å; L197-F327 HydrophobicContact CB-CE1 4.22Å; L197-F327 HydrophobicContact CB-CE2 3.61Å; L197-F327 HydrophobicContact CB-CG 4.31Å; L197-F327 HydrophobicContact CB-CZ 3.79Å; L197-F327 HydrophobicContact CD1-CD1 3.9Å; L197-F327 HydrophobicContact CD1-CE1 3.83Å; L197-F327 HydrophobicContact CD1-CG 4.37Å; L197-F327 HydrophobicContact CD1-CZ 4.22Å; L197-F327 HydrophobicContact CG-CE1 4.49Å; L197-F327 HydrophobicContact CG-CZ 4.4Å; F198-F327 HydrophobicContact CD1-CD2 4.18Å; F198-F327 HydrophobicContact CE1-CB 4.24Å; F198-F327 HydrophobicContact CE1-CD2 4.01Å; F198-F327 HydrophobicContact CE2-CB 4Å; F198-F327 HydrophobicContact CZ-CB 3.65Å; F198-F327 HydrophobicContact CZ-CD2 4.2Å; F198-F327 HydrophobicContact CZ-CG 4.45Å; Q201-F327 HydrophobicContact CB-CE2 4.42Å; L235-F327 HydrophobicContact CB-CE1 4.05Å; H236-F327 AromaticContact CE1-CE2 3.81Å; H236-F327 AromaticContact CE1-CZ 3.61Å; H236-F327 AromaticContact ND1-CZ 3.53Å; C239-F327 HydrophobicContact CB-CD1 3.89Å; C239-F327 HydrophobicContact CB-CE1 3.57Å; C239-F327 HydrophobicContact CB-CE2 4.38Å; C239-F327 HydrophobicContact CB-CG 4.42Å; C239-F327 HydrophobicContact CB-CZ 3.86Å; C239-F327 WeakPolarHBondContact CB-O 3.46Å; D324-F327 PolarHBondContact OD1-N 2.79Å; D324-F327 PolarHBondContact OD2-N 3Å
328	L	97	Very high	94.4	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.215	C	C	.	.			trans	-117.6	119.4	174.5	-71.1	-179.5	0	0	0	109.4	L235 L238 V262 D324 G325 L335	L235-L328 HydrophobicContact CD2-CD1 3.83Å; L235-L328 HydrophobicContact CD2-CD2 3.93Å; L235-L328 HydrophobicContact CD2-CG 4.39Å; L238-L328 HydrophobicContact CB-CD2 4.4Å; V262-L328 HydrophobicContact CG1-CD1 4.12Å; V262-L328 HydrophobicContact CG2-CD1 4.32Å; D324-L328 PolarHBondContact N-O 3.34Å; D324-L328 PolarHBondContact OD1-N 2.9Å; G325-L328 WeakPolarHBondContact CA-O 3.41Å; G325-L328 PolarHBondContact N-O 3.22Å; L328-L335 HydrophobicContact CD2-CD1 4.28Å
329	T	95.4	Very high	94.8	Very high	76 Å²	76	39 Å²	39	47%	0.466	22%	0.223	S	C	.	.	S	Bend	trans	-85	-20	178.5	52.4	0	0	0	0	113.3
330	D	96.1	Very high	94.9	Very high	66 Å²	66	43.2 Å²	43.2	35%	0.353	24%	0.243	S	C	.	.	S	Bend	trans	-156.7	174.6	179.1	-151.5	-36.3	0	0	0	109.4	T334 L335	D330-T334 WeakPolarHBondContact OD2-CG2 3.39Å; D330-L335 HydrophobicContact CB-CD2 3.75Å; D330-L335 HydrophobicContact CB-CG 4.04Å
331	M	94.5	Very high	94.9	Very high	71 Å²	71	43.5 Å²	43.5	35%	0.35	24%	0.244	S	C	.	.			trans	-60.1	141	174	-70.2	-61.9	-71.6	0	0	110.9	V262 V323 F333 T334 L335	V262-M331 HydrophobicContact CG1-CE 4.45Å; V262-M331 HydrophobicContact CG1-SD 4.31Å; V323-M331 HydrophobicContact CG2-CG 4.11Å; V323-M331 HydrophobicContact CG2-SD 3.53Å; V323-M331 VanDerWaalsContact CG2-SD 3.53Å; M331-F333 VanDerWaalsContact C-N 3.26Å; M331-F333 PolarHBondContact O-N 2.86Å; M331-F333 VanDerWaalsContact O-N 3.15Å; M331-T334 WeakPolarHBondContact O-CB 3.31Å; M331-T334 PolarHBondContact O-N 2.9Å; M331-L335 PolarHBondContact O-N 3.01Å; M331-L335 VanDerWaalsContact O-N 3.13Å
332	P	93.8	Very high	94.9	Very high	4 Å²	4	45 Å²	45	3%	0.026	25%	0.25	C	S	.	.	H	α-helix	trans	-54.6	-38.3	-176.1	-29.9	35.4	0	0	0	114.8	L235 L238 S256 V262 L335 L336	L235-P332 HydrophobicContact CD2-CG 4.08Å; L238-P332 HydrophobicContact CD1-CB 3.67Å; L238-P332 HydrophobicContact CD1-CG 4.4Å; S256-P332 WeakPolarHBondContact O-CB 3.21Å; S256-P332 WeakPolarHBondContact O-CG 3.46Å; V262-P332 HydrophobicContact CB-CG 4.12Å; V262-P332 HydrophobicContact CG1-CG 4.36Å; V262-P332 HydrophobicContact CG2-CG 3.53Å; P332-L335 PolarHBondContact O-N 3.45Å; P332-L336 WeakPolarHBondContact O-CB 2.95Å; P332-L336 VanDerWaalsContact O-CG 3.3Å; P332-L336 WeakPolarHBondContact O-CG 3.41Å; P332-L336 PolarHBondContact O-N 3.26Å
333	F	89.5	Confident	94.9	Very high	112 Å²	112	52.8 Å²	52.8	49%	0.491	28%	0.284	S	S	.	.	H	α-helix	trans	-59.2	-46.7	176.9	179.5	-100.3	0	0	0	111.7	M331 L336 Q337	M331-F333 VanDerWaalsContact C-N 3.26Å; M331-F333 PolarHBondContact O-N 2.86Å; M331-F333 VanDerWaalsContact O-N 3.15Å; F333-L336 PolarHBondContact O-N 3.34Å; F333-Q337 HydrophobicContact CD1-CG 4.47Å; F333-Q337 HydrophobicContact CE1-CG 4.2Å; F333-Q337 HydrophobicContact CE2-CG 4.47Å; F333-Q337 VanDerWaalsContact CZ-CD 3.49Å; F333-Q337 HydrophobicContact CZ-CG 4.23Å; F333-Q337 WeakPolarHBondContact O-CG 3.19Å; F333-Q337 PolarHBondContact O-N 3.42Å
334	T	92.8	Very high	95	Very high	44 Å²	44	52.3 Å²	52.3	27%	0.27	28%	0.281	S	S	.	.	H	α-helix	trans	-61.3	-47.1	176.9	-49.9	0	0	0	0	111.3	D330 M331 L336 Q337 L338	D330-T334 WeakPolarHBondContact OD2-CG2 3.39Å; M331-T334 WeakPolarHBondContact O-CB 3.31Å; M331-T334 PolarHBondContact O-N 2.9Å; T334-L336 VanDerWaalsContact C-N 3.34Å; T334-L336 PolarHBondContact O-N 3.13Å; T334-Q337 PolarHBondContact O-N 2.82Å; T334-L338 HydrophobicContact CG2-CD1 3.89Å; T334-L338 HydrophobicContact CG2-CG 4.41Å; T334-L338 WeakPolarHBondContact O-CB 3.38Å; T334-L338 VanDerWaalsContact O-CG 3.31Å; T334-L338 WeakPolarHBondContact O-CG 3.42Å; T334-L338 PolarHBondContact O-N 3.37Å
335	L	94.1	Very high	95.1	Very high	2 Å²	2	53.6 Å²	53.6	1%	0.01	29%	0.286	C	S	.	.	H	α-helix	trans	-61.5	-41.8	-180	-62.7	178.1	0	0	0	112	L238 L328 D330 M331 P332 L338 G339 Q340	L238-L335 HydrophobicContact CB-CD1 4.09Å; L238-L335 HydrophobicContact CD2-CB 4.06Å; L328-L335 HydrophobicContact CD2-CD1 4.28Å; D330-L335 HydrophobicContact CB-CD2 3.75Å; D330-L335 HydrophobicContact CB-CG 4.04Å; M331-L335 PolarHBondContact O-N 3.01Å; M331-L335 VanDerWaalsContact O-N 3.13Å; P332-L335 PolarHBondContact O-N 3.45Å; L335-L338 PolarHBondContact O-N 2.95Å; L335-G339 PolarHBondContact O-N 3.17Å; L335-Q340 HydrophobicContact CB-CB 4.39Å; L335-Q340 HydrophobicContact CD2-CB 4.23Å; L335-Q340 PolarHBondContact O-N 2.91Å
336	L	91.9	Very high	95.3	Very high	5 Å²	5	51 Å²	51	3%	0.026	26%	0.259	C	S	.	.	H	α-helix	trans	-64.2	-46.5	176.1	-74.4	166.4	0	0	0	111.9	L238 P332 F333 T334 L338 G339 V341 F434 T437	L238-L336 HydrophobicContact CD2-CD2 3.84Å; L238-L336 HydrophobicContact CD2-CG 3.95Å; P332-L336 WeakPolarHBondContact O-CB 2.95Å; P332-L336 VanDerWaalsContact O-CG 3.3Å; P332-L336 WeakPolarHBondContact O-CG 3.41Å; P332-L336 PolarHBondContact O-N 3.26Å; F333-L336 PolarHBondContact O-N 3.34Å; T334-L336 VanDerWaalsContact C-N 3.34Å; T334-L336 PolarHBondContact O-N 3.13Å; L336-L338 VanDerWaalsContact C-N 3.31Å; L336-L338 PolarHBondContact O-N 3.45Å; L336-G339 PolarHBondContact O-N 2.98Å; L336-V341 HydrophobicContact CD2-CG2 4.39Å; L336-F434 HydrophobicContact CD1-CD2 3.57Å; L336-F434 HydrophobicContact CD1-CE2 3.82Å; L336-F434 HydrophobicContact CD2-CD2 4.18Å; L336-F434 HydrophobicContact CD2-CE2 3.76Å; L336-F434 HydrophobicContact CD2-CZ 4.41Å; L336-F434 HydrophobicContact CG-CE2 4.37Å; L336-T437 HydrophobicContact CB-CG2 4.05Å
337	Q	90.3	Very high	95.5	Very high	123 Å²	123	47.9 Å²	47.9	58%	0.575	24%	0.242	S	C	*	.	H	α-helix	trans	-62.7	-37.1	178.4	-75.6	-166.3	-26.5	0	0	112.9	F333 T334 G339	F333-Q337 HydrophobicContact CD1-CG 4.47Å; F333-Q337 HydrophobicContact CE1-CG 4.2Å; F333-Q337 HydrophobicContact CE2-CG 4.47Å; F333-Q337 VanDerWaalsContact CZ-CD 3.49Å; F333-Q337 HydrophobicContact CZ-CG 4.23Å; F333-Q337 WeakPolarHBondContact O-CG 3.19Å; F333-Q337 PolarHBondContact O-N 3.42Å; T334-Q337 PolarHBondContact O-N 2.82Å; Q337-G339 PolarHBondContact O-N 3.29Å
338	L	94	Very high	95.6	Very high	109 Å²	109	47.8 Å²	47.8	57%	0.571	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-1	176.6	-65.5	176.9	0	0	0	113.2	T334 L335 L336 Q340	T334-L338 HydrophobicContact CG2-CD1 3.89Å; T334-L338 HydrophobicContact CG2-CG 4.41Å; T334-L338 WeakPolarHBondContact O-CB 3.38Å; T334-L338 VanDerWaalsContact O-CG 3.31Å; T334-L338 WeakPolarHBondContact O-CG 3.42Å; T334-L338 PolarHBondContact O-N 3.37Å; L335-L338 PolarHBondContact O-N 2.95Å; L336-L338 VanDerWaalsContact C-N 3.31Å; L336-L338 PolarHBondContact O-N 3.45Å; L338-Q340 HydrophobicContact CB-CG 3.99Å; L338-Q340 PolarHBondContact O-N 3.33Å
339	G	94.8	Very high	95.7	Very high	26 Å²	26	47.8 Å²	47.8	27%	0.268	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	18.9	-176.3	0	0	0	0	0	113.9	L335 L336 Q337 V341	L335-G339 PolarHBondContact O-N 3.17Å; L336-G339 PolarHBondContact O-N 2.98Å; Q337-G339 PolarHBondContact O-N 3.29Å; G339-V341 PolarHBondContact O-N 3.11Å
340	Q	96.3	Very high	95.8	Very high	93 Å²	93	44.2 Å²	44.2	44%	0.435	22%	0.22	S	C	.	.			trans	-81.6	64.8	177.4	-62.8	-173.1	28.5	0	0	110.5	Y243 L335 L338	Y243-Q340 PolarHBondContact OH-O 3.22Å; L335-Q340 HydrophobicContact CB-CB 4.39Å; L335-Q340 HydrophobicContact CD2-CB 4.23Å; L335-Q340 PolarHBondContact O-N 2.91Å; L338-Q340 HydrophobicContact CB-CG 3.99Å; L338-Q340 PolarHBondContact O-N 3.33Å
341	V	97.1	Very high	95.9	Very high	9 Å²	9	41 Å²	41	6%	0.055	20%	0.203	C	C	.	.	S	Bend	trans	-138.7	150.1	-177.5	67.5	0	0	0	0	109.8	L237 L238 Y243 L336 G339 K343 F438 L441	L237-V341 HydrophobicContact CB-CG2 3.92Å; L237-V341 CarbonylContact O-C 3.58Å; L237-V341 WeakPolarHBondContact O-CA 2.89Å; L237-V341 WeakPolarHBondContact O-CG2 3.41Å; L238-V341 HydrophobicContact CD2-CB 3.94Å; L238-V341 HydrophobicContact CD2-CG2 3.84Å; Y243-V341 WeakPolarHBondContact OH-CA 3.43Å; L336-V341 HydrophobicContact CD2-CG2 4.39Å; G339-V341 PolarHBondContact O-N 3.11Å; V341-K343 PolarHBondContact O-N 3.22Å; V341-K343 VanDerWaalsContact O-N 3.15Å; V341-F438 HydrophobicContact CG1-CD2 4.35Å; V341-F438 HydrophobicContact CG1-CE2 4.26Å; V341-F438 HydrophobicContact CG2-CD2 3.96Å; V341-F438 HydrophobicContact CG2-CE2 3.63Å; V341-L441 HydrophobicContact CG1-CD1 3.52Å
342	K	98.1	Very high	96.1	Very high	32 Å²	32	42 Å²	42	14%	0.139	21%	0.205	C	C	.	.			trans	-59.7	117.5	171.4	-178.8	-172.9	171.4	71.4	0	109.9	L237 Y243 F246 T247 T344	L237-K342 HydrophobicContact CD2-CB 3.97Å; L237-K342 HydrophobicContact CD2-CD 4.06Å; L237-K342 HydrophobicContact CD2-CG 4.45Å; L237-K342 PolarHBondContact O-N 3.24Å; Y243-K342 HydrophobicContact CD1-CB 3.66Å; Y243-K342 HydrophobicContact CD1-CG 4.31Å; Y243-K342 HydrophobicContact CD2-CB 4.46Å; Y243-K342 HydrophobicContact CE1-CB 3.78Å; Y243-K342 HydrophobicContact CG-CB 4.03Å; Y243-K342 HydrophobicContact CG-CG 4.32Å; Y243-K342 PolarHBondContact O-NZ 3.02Å; Y243-K342 PolarHBondContact OH-N 2.92Å; F246-K342 HydrophobicContact CD2-CD 4.28Å; F246-K342 HydrophobicContact CE1-CD 4.07Å; F246-K342 HydrophobicContact CE2-CD 3.62Å; F246-K342 HydrophobicContact CZ-CD 3.5Å; F246-K342 VanDerWaalsContact CZ-CD 3.5Å; F246-K342 WeakPolarHBondContact O-CE 3.18Å; F246-K342 PolarHBondContact O-NZ 3.14Å; T247-K342 WeakPolarHBondContact O-CE 3.23Å; K342-T344 HydrophobicContact CD-CG2 4.16Å; K342-T344 HydrophobicContact CG-CG2 4.27Å; K342-T344 PolarHBondContact O-N 2.54Å
343	K	97.9	Very high	96.4	Very high	164 Å²	164	42.8 Å²	42.8	71%	0.713	21%	0.209	S	C	*	.			trans	-68.9	112.3	170.9	-60.3	-170.3	179	-166.1	0	110.6	V341 N443	V341-K343 PolarHBondContact O-N 3.22Å; V341-K343 VanDerWaalsContact O-N 3.15Å; K343-N443 WeakPolarHBondContact CA-OD1 3.34Å
344	T	98.3	Very high	96.8	Very high	13 Å²	13	37.5 Å²	37.5	8%	0.08	19%	0.186	C	C	.	.	S	Bend	trans	-166.7	-176.2	180	-167.3	0	0	0	0	111.3	L237 T247 K342 F438 N443	L237-T344 HydrophobicContact CD2-CG2 3.74Å; T247-T344 WeakPolarHBondContact O-CB 3.24Å; T247-T344 PolarHBondContact O-OG1 3.3Å; K342-T344 HydrophobicContact CD-CG2 4.16Å; K342-T344 HydrophobicContact CG-CG2 4.27Å; K342-T344 PolarHBondContact O-N 2.54Å; T344-F438 HydrophobicContact CG2-CZ 4.38Å; T344-F438 VanDerWaalsContact O-CE1 3.31Å; T344-F438 WeakPolarHBondContact O-CE1 3.26Å; T344-N443 PolarHBondContact N-OD1 3.15Å; T344-N443 VanDerWaalsContact N-OD1 3.14Å; T344-N443 WeakPolarHBondContact O-CB 3.39Å; T344-N443 PolarHBondContact O-OD1 3.02Å
345	Q	98.6	Very high	97	Very high	55 Å²	55	35.4 Å²	35.4	26%	0.257	17%	0.173	S	C	.	.			trans	-88.9	143.7	172.1	-55.6	83	40.9	0	0	111.4	A249 N444 F503	A249-Q345 PolarHBondContact N-O 2.94Å; Q345-N444 VanDerWaalsContact CA-O 3.28Å; Q345-N444 WeakPolarHBondContact CA-O 3.38Å; Q345-N444 HydrophobicContact CG-CB 4.04Å; Q345-F503 HydrophobicContact CB-CE2 3.82Å; Q345-F503 HydrophobicContact CB-CZ 4.07Å; Q345-F503 WeakPolarHBondContact O-CZ 3.23Å
346	I	98.8	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.9	172.5	63.6	173.2	0	0	0	112.2	L237 A249 L251 V348 F434 F438 N444 A445 F446 F503	L237-I346 HydrophobicContact CD1-CG2 3.85Å; A249-I346 HydrophobicContact CB-CG2 4.18Å; A249-I346 VanDerWaalsContact O-CA 3.3Å; A249-I346 WeakPolarHBondContact O-CA 3.47Å; L251-I346 HydrophobicContact CD1-CB 4.4Å; L251-I346 HydrophobicContact CD1-CG2 4.41Å; I346-V348 HydrophobicContact CB-CG2 4.33Å; I346-V348 HydrophobicContact CD1-CG2 3.7Å; I346-V348 HydrophobicContact CG1-CG2 4.1Å; I346-F434 HydrophobicContact CD1-CD1 4.26Å; I346-F434 HydrophobicContact CD1-CE1 3.9Å; I346-F438 HydrophobicContact CB-CE1 4.21Å; I346-F438 HydrophobicContact CD1-CB 3.91Å; I346-F438 HydrophobicContact CD1-CD1 3.34Å; I346-F438 HydrophobicContact CD1-CD2 4.33Å; I346-F438 HydrophobicContact CD1-CE1 3.84Å; I346-F438 HydrophobicContact CD1-CG 3.61Å; I346-F438 HydrophobicContact CG1-CD1 3.65Å; I346-F438 HydrophobicContact CG1-CE1 3.72Å; I346-F438 HydrophobicContact CG1-CG 4.4Å; I346-F438 HydrophobicContact CG2-CD1 4.23Å; I346-F438 HydrophobicContact CG2-CE1 3.6Å; I346-F438 HydrophobicContact CG2-CE2 4.19Å; I346-F438 HydrophobicContact CG2-CZ 3.6Å; I346-N444 PolarHBondContact N-O 3.4Å; I346-N444 VanDerWaalsContact N-O 3.07Å; I346-A445 HydrophobicContact CD1-CB 4.04Å; I346-A445 HydrophobicContact CG1-CB 3.66Å; I346-A445 CarbonylContact O-C 3.59Å; I346-A445 WeakPolarHBondContact O-CA 3.49Å; I346-F446 PolarHBondContact O-N 3.03Å; I346-F503 VanDerWaalsContact C-CZ 3.43Å
347	L	98.9	Very high	97.2	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	120.5	166	-170.4	163.9	0	0	0	107	A249 I250 L251 F446 Y448 W500 F503 P509 W519	A249-L347 PolarHBondContact O-N 2.97Å; I250-L347 CarbonylContact C-O 3.57Å; I250-L347 WeakPolarHBondContact CA-O 3.27Å; I250-L347 HydrophobicContact CB-CB 4.47Å; I250-L347 HydrophobicContact CG1-CB 4.09Å; I250-L347 HydrophobicContact CG2-CB 4.25Å; I250-L347 HydrophobicContact CG2-CD2 3.9Å; L251-L347 PolarHBondContact N-O 2.63Å; L347-F446 CarbonylContact C-O 3.54Å; L347-F446 WeakPolarHBondContact CA-O 3.33Å; L347-F446 HydrophobicContact CG-CB 4.41Å; L347-Y448 HydrophobicContact CD2-CD1 3.58Å; L347-Y448 HydrophobicContact CD2-CE1 3.76Å; L347-W500 HydrophobicContact CD1-CE3 4.49Å; L347-W500 HydrophobicContact CD2-CH2 4.32Å; L347-W500 HydrophobicContact CD2-CZ2 4.13Å; L347-F503 HydrophobicContact CB-CD1 4.1Å; L347-F503 HydrophobicContact CB-CD2 4.06Å; L347-F503 HydrophobicContact CB-CE1 4.02Å; L347-F503 HydrophobicContact CB-CE2 3.97Å; L347-F503 HydrophobicContact CB-CG 4.11Å; L347-F503 HydrophobicContact CB-CZ 3.95Å; L347-F503 HydrophobicContact CD1-CB 3.98Å; L347-F503 HydrophobicContact CD1-CD1 4.41Å; L347-F503 HydrophobicContact CD1-CD2 4.32Å; L347-F503 HydrophobicContact CD1-CG 3.97Å; L347-P509 HydrophobicContact CD1-CG 3.96Å; L347-W519 HydrophobicContact CD1-CH2 4.03Å; L347-W519 HydrophobicContact CD1-CZ3 4.49Å; L347-W519 HydrophobicContact CD2-CH2 4.17Å; L347-W519 HydrophobicContact CD2-CZ2 4.45Å; L347-W519 HydrophobicContact CG-CH2 4.2Å; L347-W519 HydrophobicContact CG-CZ2 4.32Å
348	V	98.9	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	153.7	-176.8	-170.5	0	0	0	0	108.7	L251 I346 A431 F446 F447 Y448	L251-V348 HydrophobicContact CB-CG1 4.26Å; L251-V348 HydrophobicContact CB-CG2 4.27Å; L251-V348 HydrophobicContact CD1-CG2 4.23Å; L251-V348 CarbonylContact O-C 3.45Å; L251-V348 VanDerWaalsContact O-CA 3.26Å; L251-V348 WeakPolarHBondContact O-CA 3.49Å; I346-V348 HydrophobicContact CB-CG2 4.33Å; I346-V348 HydrophobicContact CD1-CG2 3.7Å; I346-V348 HydrophobicContact CG1-CG2 4.1Å; V348-A431 HydrophobicContact CG1-CB 4.15Å; V348-F446 PolarHBondContact N-O 2.93Å; V348-F447 HydrophobicContact CB-CD2 3.89Å; V348-F447 HydrophobicContact CB-CE2 4.09Å; V348-F447 HydrophobicContact CG1-CD2 4.07Å; V348-F447 HydrophobicContact CG1-CE2 3.72Å; V348-F447 CarbonylContact O-C 3.59Å; V348-F447 WeakPolarHBondContact O-CA 3.41Å; V348-Y448 VanDerWaalsContact O-CD1 3.25Å; V348-Y448 WeakPolarHBondContact O-CD1 3.41Å; V348-Y448 PolarHBondContact O-N 3.22Å
349	G	98.8	Very high	97.3	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178	175.7	164.9	0	0	0	0	0	112.4	L251 S253 Y448	L251-G349 PolarHBondContact O-N 3.33Å; L251-G349 VanDerWaalsContact O-N 3.09Å; S253-G349 PolarHBondContact N-O 2.86Å; G349-Y448 VanDerWaalsContact CA-CE1 3.41Å; G349-Y448 WeakPolarHBondContact CA-O 3.26Å
350	V	98.9	Very high	97.3	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	162.1	-172.4	-59.5	0	0	0	0	109.8	E354 I427 I428 A431 F447 Y448 Y449 L450 L543	V350-E354 WeakPolarHBondContact CA-OE1 3.43Å; V350-E354 WeakPolarHBondContact CB-OE1 3.27Å; V350-I427 HydrophobicContact CB-CG2 4.36Å; V350-I427 HydrophobicContact CG1-CG2 3.84Å; V350-I428 HydrophobicContact CB-CG1 4.18Å; V350-I428 HydrophobicContact CG2-CB 4.34Å; V350-I428 HydrophobicContact CG2-CG1 3.86Å; V350-I428 HydrophobicContact CG2-CG2 4.1Å; V350-A431 HydrophobicContact CG1-CB 3.78Å; V350-F447 HydrophobicContact CG1-CZ 4.25Å; V350-F447 HydrophobicContact CG2-CE1 4.14Å; V350-F447 HydrophobicContact CG2-CZ 4.19Å; V350-Y448 PolarHBondContact N-O 3.23Å; V350-Y449 HydrophobicContact CG2-CD2 3.79Å; V350-Y449 HydrophobicContact CG2-CE2 4.15Å; V350-Y449 WeakPolarHBondContact O-CA 3.38Å; V350-L450 PolarHBondContact O-N 2.97Å; V350-L543 HydrophobicContact CG2-CD2 4.12Å
351	N	98.8	Very high	97.1	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	167.3	175.7	-60.9	-12.2	0	0	0	110.2	E354 Y449 L450 V465 M466 E470	N351-E354 HydrophobicContact CB-CG 4.33Å; N351-E354 PolarHBondContact N-OE1 3.41Å; N351-E354 WeakPolarHBondContact O-CG 3.21Å; N351-Y449 WeakPolarHBondContact O-CE2 3.15Å; N351-L450 WeakPolarHBondContact OD1-CB 3.18Å; N351-V465 HydrophobicContact CB-CG1 4.23Å; N351-V465 WeakPolarHBondContact CB-O 3.47Å; N351-M466 PolarHBondContact ND2-O 2.87Å; N351-E470 PolarHBondContact ND2-OE2 2.94Å
352	K	98.6	Very high	96.6	Very high	92 Å²	92	26.8 Å²	26.8	40%	0.4	13%	0.132	S	C	.	.	S	Bend	trans	-70.4	-47.5	-175.8	-176.6	-170.4	170.4	-156.2	0	112.5	Y449 L450 V465	K352-Y449 WeakPolarHBondContact CA-OH 3.39Å; K352-Y449 HydrophobicContact CB-CE1 4.41Å; K352-Y449 HydrophobicContact CB-CE2 4.37Å; K352-Y449 HydrophobicContact CG-CE1 4.36Å; K352-Y449 VanDerWaalsContact CG-OH 3.28Å; K352-Y449 WeakPolarHBondContact CG-OH 3.44Å; K352-L450 PolarHBondContact N-O 3.21Å; K352-V465 HydrophobicContact CB-CB 3.97Å; K352-V465 HydrophobicContact CB-CG2 4.06Å
353	D	98.6	Very high	96.3	Very high	20 Å²	20	25.5 Å²	25.5	11%	0.107	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-119.3	58.2	-166.6	-47.2	-75.2	0	0	0	109.1	G355 T356 G464 V465	D353-G355 VanDerWaalsContact C-N 3.3Å; D353-G355 PolarHBondContact O-N 3.13Å; D353-T356 HydrophobicContact CB-CG2 3.84Å; D353-T356 PolarHBondContact O-OG1 3.32Å; D353-G464 WeakPolarHBondContact OD2-CA 3.23Å; D353-V465 PolarHBondContact N-O 3.07Å; D353-V465 VanDerWaalsContact N-O 3.12Å; D353-V465 PolarHBondContact OD2-N 3.12Å
354	E	98.4	Very high	96	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.			trans	-63.1	-29.5	-172.3	-71.1	-79.6	-167.5	0	0	113.7	S253 V350 N351 F358 I427 I428 H467	S253-E354 WeakPolarHBondContact CB-OE1 3.39Å; S253-E354 PolarHBondContact OG-OE1 3.23Å; V350-E354 WeakPolarHBondContact CA-OE1 3.43Å; V350-E354 WeakPolarHBondContact CB-OE1 3.27Å; N351-E354 HydrophobicContact CB-CG 4.33Å; N351-E354 PolarHBondContact N-OE1 3.41Å; N351-E354 WeakPolarHBondContact O-CG 3.21Å; E354-F358 WeakPolarHBondContact O-CD2 3.48Å; E354-F358 WeakPolarHBondContact O-CE2 3.36Å; E354-I427 HydrophobicContact CB-CB 4.15Å; E354-I427 HydrophobicContact CB-CG1 4.17Å; E354-I427 HydrophobicContact CB-CG2 4.49Å; E354-I427 HydrophobicContact CG-CB 4.07Å; E354-I427 HydrophobicContact CG-CG1 4.48Å; E354-I427 HydrophobicContact CG-CG2 3.9Å; E354-I427 WeakPolarHBondContact OE1-CG2 3.46Å; E354-I428 HydrophobicContact CG-CD1 4.39Å; E354-I428 HydrophobicContact CG-CG1 4.11Å; E354-H467 WeakPolarHBondContact OE2-CA 3.43Å; E354-H467 WeakPolarHBondContact OE2-CB 3.41Å; E354-H467 IonicContact OE2-CE1 3.67Å; E354-H467 IonicContact OE2-CG 3.46Å; E354-H467 IonicContact OE2-ND1 3.47Å; E354-H467 PolarHBondContact OE2-ND1 2.99Å
355	G	96.5	Very high	95.9	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.115	C	C	.	.	S	Bend	trans	-82.4	-31.6	-173.7	0	0	0	0	0	113.8	D353 G357 F358 D419	D353-G355 VanDerWaalsContact C-N 3.3Å; D353-G355 PolarHBondContact O-N 3.13Å; G355-G357 VanDerWaalsContact C-N 3.28Å; G355-G357 PolarHBondContact O-N 3.41Å; G355-G357 VanDerWaalsContact O-N 3.14Å; G355-F358 PolarHBondContact O-N 3.09Å; G355-D419 VanDerWaalsContact C-OD1 3.25Å; G355-D419 WeakPolarHBondContact CA-OD1 3.38Å; G355-D419 PolarHBondContact N-OD1 2.79Å
356	T	96.4	Very high	95.8	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-50.6	-44.2	-169.9	58.4	0	0	0	0	113.6	D353 F358 L359 D419 W462 M463	D353-T356 HydrophobicContact CB-CG2 3.84Å; D353-T356 PolarHBondContact O-OG1 3.32Å; T356-F358 PolarHBondContact O-N 2.92Å; T356-L359 PolarHBondContact O-N 3.18Å; T356-D419 HydrophobicContact CG2-CB 3.78Å; T356-D419 VanDerWaalsContact CG2-OD1 3.25Å; T356-D419 WeakPolarHBondContact CG2-OD1 3.36Å; T356-D419 WeakPolarHBondContact CG2-OD2 3.23Å; T356-D419 PolarHBondContact N-OD1 3.07Å; T356-W462 HydrophobicContact CG2-CZ3 4.24Å; T356-M463 WeakPolarHBondContact O-CE 3.24Å; T356-M463 PolarHBondContact OG1-O 3.21Å
357	G	93.3	Very high	95.7	Very high	9 Å²	9	20.2 Å²	20.2	9%	0.093	12%	0.119	C	C	.	.	H	α-helix	trans	-59.8	-28.6	-178.9	0	0	0	0	0	113.6	G355 V360 Y361	G355-G357 VanDerWaalsContact C-N 3.28Å; G355-G357 PolarHBondContact O-N 3.41Å; G355-G357 VanDerWaalsContact O-N 3.14Å; G357-V360 WeakPolarHBondContact O-CG2 3.37Å; G357-Y361 WeakPolarHBondContact O-CD2 3.33Å; G357-Y361 WeakPolarHBondContact O-CE2 3.19Å
358	F	93.5	Very high	95.6	Very high	45 Å²	45	22.1 Å²	22.1	20%	0.197	13%	0.127	C	C	.	.	H	α-helix	trans	-86.3	-26.4	-178.3	-52.2	-62.5	0	0	0	112.6	L315 E354 G355 T356 V360 Y361 Y386 I422 H467	L315-F358 HydrophobicContact CD1-CB 4.38Å; L315-F358 HydrophobicContact CD1-CD2 3.93Å; L315-F358 HydrophobicContact CD1-CE2 4.39Å; L315-F358 HydrophobicContact CD1-CG 4.09Å; L315-F358 HydrophobicContact CD2-CB 4.13Å; L315-F358 HydrophobicContact CD2-CD1 3.3Å; L315-F358 HydrophobicContact CD2-CD2 3.9Å; L315-F358 HydrophobicContact CD2-CE1 3.52Å; L315-F358 HydrophobicContact CD2-CE2 4.1Å; L315-F358 HydrophobicContact CD2-CG 3.49Å; L315-F358 VanDerWaalsContact CD2-CG 3.49Å; L315-F358 HydrophobicContact CD2-CZ 3.92Å; L315-F358 HydrophobicContact CG-CB 4.23Å; L315-F358 HydrophobicContact CG-CD1 4.29Å; L315-F358 HydrophobicContact CG-CD2 4.36Å; L315-F358 HydrophobicContact CG-CG 4.04Å; E354-F358 WeakPolarHBondContact O-CD2 3.48Å; E354-F358 WeakPolarHBondContact O-CE2 3.36Å; G355-F358 PolarHBondContact O-N 3.09Å; T356-F358 PolarHBondContact O-N 2.92Å; F358-V360 VanDerWaalsContact C-N 3.34Å; F358-V360 PolarHBondContact O-N 2.86Å; F358-Y361 PolarHBondContact O-N 3.47Å; F358-Y386 PolarHBondContact O-OH 3.09Å; F358-I422 HydrophobicContact CD2-CG2 4.22Å; F358-H467 HydrophobicContact CE2-CB 4.42Å; F358-H467 HydrophobicContact CZ-CB 4.3Å; F358-H467 AromaticContact CZ-CD2 3.68Å; F358-H467 AromaticContact CZ-CG 3.9Å; F358-H467 AromaticContact CZ-NE2 3.98Å
359	L	94.9	Very high	95.5	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-64.7	-38.9	-174.7	-59.6	173	0	0	0	111.8	T356 Y361 G362 A363 F366 Y386 L418 D419 I422	T356-L359 PolarHBondContact O-N 3.18Å; L359-Y361 PolarHBondContact O-N 3.45Å; L359-Y361 VanDerWaalsContact O-N 3.11Å; L359-G362 PolarHBondContact O-N 2.83Å; L359-A363 HydrophobicContact CB-CB 4.21Å; L359-A363 HydrophobicContact CD2-CB 4.22Å; L359-A363 WeakPolarHBondContact O-CB 3.44Å; L359-A363 PolarHBondContact O-N 2.95Å; L359-F366 HydrophobicContact CB-CB 4.27Å; L359-F366 HydrophobicContact CB-CD1 3.6Å; L359-F366 HydrophobicContact CB-CD2 4.17Å; L359-F366 HydrophobicContact CB-CE1 3.89Å; L359-F366 HydrophobicContact CB-CE2 4.44Å; L359-F366 HydrophobicContact CB-CG 3.73Å; L359-F366 HydrophobicContact CB-CZ 4.31Å; L359-F366 HydrophobicContact CD1-CD1 3.98Å; L359-F366 HydrophobicContact CD1-CE1 3.37Å; L359-F366 HydrophobicContact CD1-CE2 4.45Å; L359-F366 HydrophobicContact CD1-CZ 3.66Å; L359-F366 HydrophobicContact CG-CD1 4.39Å; L359-F366 HydrophobicContact CG-CE1 4.18Å; L359-F366 HydrophobicContact CG-CZ 4.37Å; L359-Y386 HydrophobicContact CD2-CE2 3.76Å; L359-Y386 PolarHBondContact N-OH 3.18Å; L359-L418 HydrophobicContact CD2-CD2 3.86Å; L359-L418 HydrophobicContact CD2-CG 3.87Å; L359-D419 HydrophobicContact CD1-CB 4.17Å; L359-I422 HydrophobicContact CD2-CG1 3.98Å
360	V	94.7	Very high	95.3	Very high	12 Å²	12	31.9 Å²	31.9	7%	0.073	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-9.2	-179.7	-61.5	0	0	0	0	114.4	F102 G357 F358 W459 W462 M463	F102-V360 HydrophobicContact CE2-CG2 4.15Å; F102-V360 HydrophobicContact CZ-CB 4.23Å; F102-V360 HydrophobicContact CZ-CG2 4.29Å; G357-V360 WeakPolarHBondContact O-CG2 3.37Å; F358-V360 VanDerWaalsContact C-N 3.34Å; F358-V360 PolarHBondContact O-N 2.86Å; V360-W459 HydrophobicContact CG2-CH2 4.15Å; V360-W459 HydrophobicContact CG2-CZ3 3.8Å; V360-W462 HydrophobicContact CG1-CH2 3.69Å; V360-W462 HydrophobicContact CG1-CZ2 3.57Å; V360-M463 HydrophobicContact CG1-CE 3.93Å; V360-M463 HydrophobicContact CG1-SD 4.23Å; V360-M463 HydrophobicContact CG2-CE 4.09Å
361	Y	90.2	Very high	95.2	Very high	84 Å²	84	36.9 Å²	36.9	33%	0.329	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	12	179.2	-73.1	-87.7	0	0	0	113.8	D99 T101 F102 G357 F358 L359 W459	D99-Y361 WeakPolarHBondContact OD2-CE1 3.34Å; D99-Y361 PolarHBondContact OD2-OH 3.49Å; T101-Y361 HydrophobicContact CG2-CD1 4.03Å; T101-Y361 HydrophobicContact CG2-CE1 4.13Å; T101-Y361 WeakPolarHBondContact OG1-CE1 3.31Å; F102-Y361 HydrophobicContact CE2-CE1 4.22Å; F102-Y361 HydrophobicContact CE2-CE2 4.38Å; G357-Y361 WeakPolarHBondContact O-CD2 3.33Å; G357-Y361 WeakPolarHBondContact O-CE2 3.19Å; F358-Y361 PolarHBondContact O-N 3.47Å; L359-Y361 PolarHBondContact O-N 3.45Å; L359-Y361 VanDerWaalsContact O-N 3.11Å; Y361-W459 HydrophobicContact CE2-CH2 4.36Å
362	G	87.3	Confident	95.2	Very high	36 Å²	36	36.9 Å²	36.9	37%	0.371	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	161.1	-10.6	167.3	0	0	0	0	0	116.3	L359 M385	L359-G362 PolarHBondContact O-N 2.83Å; G362-M385 WeakPolarHBondContact O-CE 3.3Å; G362-M385 VanDerWaalsContact O-SD 3.34Å
363	A	91.5	Very high	95.1	Very high	5 Å²	5	36.2 Å²	36.2	4%	0.041	21%	0.206	C	C	.	.			trans	-65.7	132.7	-178	0	0	0	0	0	110.6	L314 L359 G365 F366 Y386	L314-A363 HydrophobicContact CD1-CB 4.37Å; L359-A363 HydrophobicContact CB-CB 4.21Å; L359-A363 HydrophobicContact CD2-CB 4.22Å; L359-A363 WeakPolarHBondContact O-CB 3.44Å; L359-A363 PolarHBondContact O-N 2.95Å; A363-G365 PolarHBondContact O-N 3.23Å; A363-F366 HydrophobicContact CB-CD2 3.56Å; A363-F366 HydrophobicContact CB-CE2 4.11Å; A363-F366 HydrophobicContact CB-CG 4.27Å; A363-F366 PolarHBondContact O-N 2.97Å; A363-Y386 HydrophobicContact CB-CE2 4.24Å
364	P	92.4	Very high	95	Very high	35 Å²	35	35.3 Å²	35.3	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	135	179.9	-27.2	36.5	0	0	0	112.8	F366 E378 E381	P364-F366 VanDerWaalsContact C-N 3.29Å; P364-F366 WeakPolarHBondContact O-CD2 3.36Å; P364-F366 PolarHBondContact O-N 3.34Å; P364-E378 HydrophobicContact CB-CB 4.44Å; P364-E378 HydrophobicContact CB-CG 4.28Å; P364-E381 HydrophobicContact CB-CB 4.48Å; P364-E381 HydrophobicContact CG-CB 3.94Å
365	G	95.1	Very high	94.9	Very high	31 Å²	31	38.5 Å²	38.5	32%	0.32	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.8	-8.4	178.6	0	0	0	0	0	115.3	A363	A363-G365 PolarHBondContact O-N 3.23Å
366	F	96.7	Very high	94.9	Very high	20 Å²	20	43.2 Å²	43.2	9%	0.088	24%	0.239	C	C	.	.			trans	-90.9	136.6	178.9	-70.6	-92.8	0	0	0	112.7	L359 A363 P364 S372 I374 R415 L418 W462	L359-F366 HydrophobicContact CB-CB 4.27Å; L359-F366 HydrophobicContact CB-CD1 3.6Å; L359-F366 HydrophobicContact CB-CD2 4.17Å; L359-F366 HydrophobicContact CB-CE1 3.89Å; L359-F366 HydrophobicContact CB-CE2 4.44Å; L359-F366 HydrophobicContact CB-CG 3.73Å; L359-F366 HydrophobicContact CB-CZ 4.31Å; L359-F366 HydrophobicContact CD1-CD1 3.98Å; L359-F366 HydrophobicContact CD1-CE1 3.37Å; L359-F366 HydrophobicContact CD1-CE2 4.45Å; L359-F366 HydrophobicContact CD1-CZ 3.66Å; L359-F366 HydrophobicContact CG-CD1 4.39Å; L359-F366 HydrophobicContact CG-CE1 4.18Å; L359-F366 HydrophobicContact CG-CZ 4.37Å; A363-F366 HydrophobicContact CB-CD2 3.56Å; A363-F366 HydrophobicContact CB-CE2 4.11Å; A363-F366 HydrophobicContact CB-CG 4.27Å; A363-F366 PolarHBondContact O-N 2.97Å; P364-F366 VanDerWaalsContact C-N 3.29Å; P364-F366 WeakPolarHBondContact O-CD2 3.36Å; P364-F366 PolarHBondContact O-N 3.34Å; F366-S372 WeakPolarHBondContact CA-OG 3.48Å; F366-I374 HydrophobicContact CD2-CG2 4.12Å; F366-I374 HydrophobicContact CE2-CD1 3.77Å; F366-I374 HydrophobicContact CE2-CG2 3.77Å; F366-I374 HydrophobicContact CZ-CD1 3.81Å; F366-I374 HydrophobicContact CZ-CG1 4.49Å; F366-I374 HydrophobicContact CZ-CG2 4.13Å; F366-R415 HydrophobicContact CE1-CG 3.65Å; F366-R415 HydrophobicContact CZ-CG 4.13Å; F366-L418 HydrophobicContact CE2-CD2 3.57Å; F366-L418 HydrophobicContact CZ-CB 4.3Å; F366-L418 HydrophobicContact CZ-CD2 3.87Å; F366-W462 AromaticContact CD1-CH2 3.52Å; F366-W462 HydrophobicContact CD1-CH2 3.52Å; F366-W462 HydrophobicContact CD1-CZ2 4.2Å; F366-W462 AromaticContact CD1-CZ3 3.83Å; F366-W462 HydrophobicContact CD1-CZ3 3.83Å; F366-W462 HydrophobicContact CE1-CH2 4.11Å; F366-W462 AromaticContact CE1-CZ3 3.92Å; F366-W462 HydrophobicContact CE1-CZ3 3.92Å
367	S	96.7	Very high	94.8	Very high	34 Å²	34	50.8 Å²	50.8	24%	0.238	27%	0.267	C	S	.	.			trans	-153	146.7	174.9	177.6	0	0	0	0	111.1	D369 S372 W462	S367-D369 PolarHBondContact O-N 3.41Å; S367-D369 PolarHBondContact OG-N 3.39Å; S367-D369 VanDerWaalsContact OG-N 3.13Å; S367-S372 PolarHBondContact N-OG 3.43Å; S367-S372 PolarHBondContact O-OG 3.34Å; S367-W462 PolarHBondContact O-NE1 2.93Å
368	K	96.5	Very high	95	Very high	40 Å²	40	52.4 Å²	52.4	17%	0.174	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.8	171.8	69	163.3	-174.9	54.3	0	113.4	F102 F105 W459 P460	F102-K368 HydrophobicContact CB-CD 4.19Å; F102-K368 HydrophobicContact CD1-CD 3.61Å; F102-K368 HydrophobicContact CD1-CG 4.11Å; F102-K368 HydrophobicContact CD2-CD 4.16Å; F102-K368 HydrophobicContact CE1-CD 3.95Å; F102-K368 HydrophobicContact CE1-CG 3.97Å; F102-K368 HydrophobicContact CE2-CD 4.49Å; F102-K368 HydrophobicContact CG-CD 3.71Å; F102-K368 HydrophobicContact CZ-CD 4.38Å; F102-K368 HydrophobicContact CZ-CG 4.35Å; F105-K368 HydrophobicContact CD1-CD 3.99Å; F105-K368 HydrophobicContact CE1-CD 4.08Å; F105-K368 HydrophobicContact CG-CD 4.24Å; F105-K368 HydrophobicContact CZ-CD 4.42Å; K368-W459 HydrophobicContact CB-CE3 4.05Å; K368-W459 HydrophobicContact CB-CZ3 3.94Å; K368-P460 WeakPolarHBondContact O-CD 3.4Å; K368-P460 WeakPolarHBondContact O-CG 3.45Å
369	D	96.8	Very high	95.1	Very high	124 Å²	124	50.2 Å²	50.2	66%	0.663	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103	4.7	-171	-63.1	-51.5	0	0	0	113.6	S367	S367-D369 PolarHBondContact O-N 3.41Å; S367-D369 PolarHBondContact OG-N 3.39Å; S367-D369 VanDerWaalsContact OG-N 3.13Å
370	N	95.9	Very high	95.1	Very high	81 Å²	81	53.4 Å²	53.4	43%	0.433	28%	0.278	S	S	.	.	S	Bend	trans	-145.8	-178.9	175.7	67.9	28.2	0	0	0	110.9	S372 W462	N370-S372 PolarHBondContact O-N 2.92Å; N370-S372 VanDerWaalsContact OD1-CA 3.31Å; N370-S372 WeakPolarHBondContact OD1-CA 3.38Å; N370-S372 PolarHBondContact OD1-N 2.93Å; N370-S372 PolarHBondContact OD1-OG 2.82Å; N370-W462 PolarHBondContact O-NE1 3.42Å
371	D	97	Very high	95.1	Very high	105 Å²	105	56.4 Å²	56.4	56%	0.561	29%	0.291	S	S	*	.			trans	-76.9	0.6	-179	-63.5	-35.1	0	0	0	114.3	L373 R415	D371-L373 HydrophobicContact CB-CD2 4.27Å; D371-L373 HydrophobicContact CB-CG 4.1Å; D371-L373 PolarHBondContact O-N 2.86Å; D371-R415 VanDerWaalsContact O-CD 3.26Å; D371-R415 WeakPolarHBondContact O-CD 3.16Å; D371-R415 PolarHBondContact O-NH1 2.88Å
372	S	97.5	Very high	95.2	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.275	C	S	.	.			trans	49.5	41.8	-179.4	-63.4	0	0	0	0	113.6	F366 S367 N370 I374 R415 W462	F366-S372 WeakPolarHBondContact CA-OG 3.48Å; S367-S372 PolarHBondContact N-OG 3.43Å; S367-S372 PolarHBondContact O-OG 3.34Å; N370-S372 PolarHBondContact O-N 2.92Å; N370-S372 VanDerWaalsContact OD1-CA 3.31Å; N370-S372 WeakPolarHBondContact OD1-CA 3.38Å; N370-S372 PolarHBondContact OD1-N 2.93Å; N370-S372 PolarHBondContact OD1-OG 2.82Å; S372-I374 WeakPolarHBondContact O-CG2 3.37Å; S372-I374 PolarHBondContact O-N 2.91Å; S372-R415 WeakPolarHBondContact O-CB 3.34Å; S372-R415 VanDerWaalsContact O-CD 3.24Å; S372-R415 WeakPolarHBondContact O-CD 3.19Å; S372-R415 VanDerWaalsContact O-CG 3.23Å; S372-R415 WeakPolarHBondContact O-CG 3.26Å; S372-W462 VanDerWaalsContact OG-CE2 3.28Å; S372-W462 WeakPolarHBondContact OG-CZ2 3.44Å; S372-W462 PolarHBondContact OG-NE1 3.39Å
373	L	97.4	Very high	95.5	Very high	78 Å²	78	50.9 Å²	50.9	41%	0.408	26%	0.258	S	S	.	.			trans	-68.1	117.2	174.6	-61.4	-171.8	0	0	0	109.1	D371 P411 E412	D371-L373 HydrophobicContact CB-CD2 4.27Å; D371-L373 HydrophobicContact CB-CG 4.1Å; D371-L373 PolarHBondContact O-N 2.86Å; L373-P411 HydrophobicContact CB-CB 3.76Å; L373-P411 HydrophobicContact CD2-CB 4.46Å; L373-E412 HydrophobicContact CD2-CB 4.48Å; L373-E412 HydrophobicContact CD2-CG 3.55Å; L373-E412 WeakPolarHBondContact CD2-OE1 3.25Å
374	I	97.2	Very high	95.5	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.005	28%	0.277	C	S	.	.			trans	-115.7	149.7	-175.9	65.2	165.4	0	0	0	112.5	F366 S372 E378 F379 P411 R415 L418	F366-I374 HydrophobicContact CD2-CG2 4.12Å; F366-I374 HydrophobicContact CE2-CD1 3.77Å; F366-I374 HydrophobicContact CE2-CG2 3.77Å; F366-I374 HydrophobicContact CZ-CD1 3.81Å; F366-I374 HydrophobicContact CZ-CG1 4.49Å; F366-I374 HydrophobicContact CZ-CG2 4.13Å; S372-I374 WeakPolarHBondContact O-CG2 3.37Å; S372-I374 PolarHBondContact O-N 2.91Å; I374-E378 HydrophobicContact CB-CB 4Å; I374-E378 HydrophobicContact CG2-CB 4.43Å; I374-F379 HydrophobicContact CD1-CB 4.04Å; I374-F379 HydrophobicContact CD1-CD2 4.43Å; I374-P411 WeakPolarHBondContact O-CA 3.19Å; I374-P411 WeakPolarHBondContact O-CB 3.45Å; I374-R415 HydrophobicContact CG1-CB 4.12Å; I374-L418 HydrophobicContact CD1-CD2 4.38Å
375	T	96.3	Very high	95.2	Very high	67 Å²	67	56.3 Å²	56.3	41%	0.411	28%	0.284	S	S	.	.			trans	-81.9	163.4	172.2	62.7	0	0	0	0	111.5	R377 E378 F379	T375-R377 PolarHBondContact O-N 2.55Å; T375-R377 VanDerWaalsContact O-N 3.16Å; T375-E378 WeakPolarHBondContact CB-OE2 3.32Å; T375-E378 WeakPolarHBondContact CG2-OE2 3.19Å; T375-E378 PolarHBondContact N-OE2 3.46Å; T375-E378 PolarHBondContact O-N 3.45Å; T375-E378 VanDerWaalsContact O-N 3.12Å; T375-E378 PolarHBondContact OG1-N 3.14Å; T375-E378 PolarHBondContact OG1-OE2 2.79Å; T375-F379 PolarHBondContact O-N 2.99Å
376	R	94.7	Very high	94.9	Very high	99 Å²	99	55.2 Å²	55.2	37%	0.374	27%	0.27	S	S	.	.	H	α-helix	trans	-51.9	-36.4	169.5	-178	175.6	175.1	170	2.9	112.9	F379 Q380 E396 Y414	R376-F379 WeakPolarHBondContact O-CB 3.26Å; R376-F379 PolarHBondContact O-N 3.35Å; R376-Q380 WeakPolarHBondContact O-CG 3.45Å; R376-Q380 PolarHBondContact O-N 2.79Å; R376-E396 IonicContact NH2-OE1 3.32Å; R376-Y414 HydrophobicContact CB-CD1 4.39Å; R376-Y414 HydrophobicContact CB-CE1 3.8Å; R376-Y414 HydrophobicContact CB-CE2 4.08Å; R376-Y414 HydrophobicContact CG-CE1 3.88Å
377	R	95.6	Very high	94.5	Very high	160 Å²	160	55 Å²	55	60%	0.604	27%	0.269	S	S	*	.	H	α-helix	trans	-66.3	-48.1	178.8	-176	-173.8	64.2	172.4	0.6	110.8	T375 F379 Q380 E381	T375-R377 PolarHBondContact O-N 2.55Å; T375-R377 VanDerWaalsContact O-N 3.16Å; R377-F379 VanDerWaalsContact C-N 3.28Å; R377-F379 PolarHBondContact O-N 3.18Å; R377-Q380 PolarHBondContact O-N 2.99Å; R377-Q380 VanDerWaalsContact O-N 3.14Å; R377-E381 IonicContact NE-OE1 3.62Å; R377-E381 WeakPolarHBondContact O-CG 3.34Å; R377-E381 PolarHBondContact O-N 3.05Å
378	E	96.7	Very high	94	Very high	43 Å²	43	55.3 Å²	55.3	20%	0.201	27%	0.27	C	S	.	.	H	α-helix	trans	-63.3	-35.6	177.5	-74.3	156.3	145	0	0	111.6	P364 I374 T375 E381 G382	P364-E378 HydrophobicContact CB-CB 4.44Å; P364-E378 HydrophobicContact CB-CG 4.28Å; I374-E378 HydrophobicContact CB-CB 4Å; I374-E378 HydrophobicContact CG2-CB 4.43Å; T375-E378 WeakPolarHBondContact CB-OE2 3.32Å; T375-E378 WeakPolarHBondContact CG2-OE2 3.19Å; T375-E378 PolarHBondContact N-OE2 3.46Å; T375-E378 PolarHBondContact O-N 3.45Å; T375-E378 VanDerWaalsContact O-N 3.12Å; T375-E378 PolarHBondContact OG1-N 3.14Å; T375-E378 PolarHBondContact OG1-OE2 2.79Å; E378-E381 PolarHBondContact O-N 2.78Å; E378-G382 PolarHBondContact O-N 2.7Å
379	F	96.1	Very high	93.4	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-48.4	170.5	179.3	-83.5	0	0	0	112	I374 T375 R376 R377 E381 G382 L383 L399 Y414 A417 L418 V421	I374-F379 HydrophobicContact CD1-CB 4.04Å; I374-F379 HydrophobicContact CD1-CD2 4.43Å; T375-F379 PolarHBondContact O-N 2.99Å; R376-F379 WeakPolarHBondContact O-CB 3.26Å; R376-F379 PolarHBondContact O-N 3.35Å; R377-F379 VanDerWaalsContact C-N 3.28Å; R377-F379 PolarHBondContact O-N 3.18Å; F379-E381 PolarHBondContact O-N 3.42Å; F379-G382 WeakPolarHBondContact O-CA 3.49Å; F379-G382 PolarHBondContact O-N 3.18Å; F379-L383 HydrophobicContact CD1-CD1 4.12Å; F379-L383 HydrophobicContact CD1-CG 4.2Å; F379-L383 HydrophobicContact CE1-CD1 3.5Å; F379-L383 HydrophobicContact CE1-CD2 4.33Å; F379-L383 HydrophobicContact CE1-CG 3.82Å; F379-L383 HydrophobicContact CZ-CD1 4.28Å; F379-L383 HydrophobicContact CZ-CD2 4.42Å; F379-L383 HydrophobicContact CZ-CG 4.38Å; F379-L383 PolarHBondContact O-N 2.72Å; F379-L399 HydrophobicContact CD1-CD1 3.38Å; F379-L399 HydrophobicContact CE1-CB 4.13Å; F379-L399 HydrophobicContact CE1-CD1 3.29Å; F379-L399 HydrophobicContact CE1-CG 4.31Å; F379-L399 HydrophobicContact CG-CD1 4.42Å; F379-L399 HydrophobicContact CZ-CD1 4.28Å; F379-Y414 HydrophobicContact CB-CD1 3.99Å; F379-Y414 HydrophobicContact CB-CG 4.45Å; F379-Y414 HydrophobicContact CD2-CD1 4.19Å; F379-Y414 VanDerWaalsContact CD2-O 3.3Å; F379-Y414 WeakPolarHBondContact CD2-O 3.48Å; F379-Y414 HydrophobicContact CG-CD1 4.03Å; F379-A417 HydrophobicContact CE2-CB 3.78Å; F379-L418 HydrophobicContact CD2-CB 3.84Å; F379-L418 HydrophobicContact CD2-CD1 4.2Å; F379-L418 HydrophobicContact CD2-CG 4.48Å; F379-L418 HydrophobicContact CE2-CB 3.86Å; F379-L418 HydrophobicContact CE2-CD1 4.05Å; F379-V421 HydrophobicContact CZ-CG2 4.34Å
380	Q	95.1	Very high	93	Very high	66 Å²	66	56.4 Å²	56.4	31%	0.308	27%	0.265	S	S	.	.	H	α-helix	trans	-65.4	-37.3	178.1	-71.4	174.7	-42.5	0	0	112.2	R376 R377 G382 L383 N384 L399	R376-Q380 WeakPolarHBondContact O-CG 3.45Å; R376-Q380 PolarHBondContact O-N 2.79Å; R377-Q380 PolarHBondContact O-N 2.99Å; R377-Q380 VanDerWaalsContact O-N 3.14Å; Q380-G382 VanDerWaalsContact C-N 3.35Å; Q380-L383 PolarHBondContact O-N 3.45Å; Q380-N384 PolarHBondContact O-N 3.44Å; Q380-N384 PolarHBondContact O-ND2 2.9Å; Q380-L399 HydrophobicContact CG-CD2 4.45Å
381	E	93.8	Very high	92.7	Very high	76 Å²	76	54.1 Å²	54.1	36%	0.355	26%	0.256	S	S	.	.	H	α-helix	trans	-64.8	-39.2	172.7	-69.6	172.3	-176.3	0	0	111.4	P364 R377 E378 F379 N384 M385	P364-E381 HydrophobicContact CB-CB 4.48Å; P364-E381 HydrophobicContact CG-CB 3.94Å; R377-E381 IonicContact NE-OE1 3.62Å; R377-E381 WeakPolarHBondContact O-CG 3.34Å; R377-E381 PolarHBondContact O-N 3.05Å; E378-E381 PolarHBondContact O-N 2.78Å; F379-E381 PolarHBondContact O-N 3.42Å; E381-N384 WeakPolarHBondContact O-CB 3.39Å; E381-N384 PolarHBondContact O-N 3.17Å; E381-M385 PolarHBondContact O-N 3.46Å
382	G	93.3	Very high	92.5	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-57.4	-49	169.8	0	0	0	0	0	112.1	E378 F379 Q380 N384 M385 Y386	E378-G382 PolarHBondContact O-N 2.7Å; F379-G382 WeakPolarHBondContact O-CA 3.49Å; F379-G382 PolarHBondContact O-N 3.18Å; Q380-G382 VanDerWaalsContact C-N 3.35Å; G382-N384 VanDerWaalsContact C-N 3.3Å; G382-N384 PolarHBondContact O-N 2.69Å; G382-M385 PolarHBondContact O-N 2.98Å; G382-M385 VanDerWaalsContact O-N 3.12Å; G382-Y386 WeakPolarHBondContact O-CD2 3.07Å; G382-Y386 PolarHBondContact O-N 3.43Å
383	L	93.6	Very high	92.3	Very high	3 Å²	3	59.1 Å²	59.1	2%	0.016	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-39	174.4	-68.6	-172.3	0	0	0	112.6	F379 Q380 M385 F387 I398 L399 L418 V421	F379-L383 HydrophobicContact CD1-CD1 4.12Å; F379-L383 HydrophobicContact CD1-CG 4.2Å; F379-L383 HydrophobicContact CE1-CD1 3.5Å; F379-L383 HydrophobicContact CE1-CD2 4.33Å; F379-L383 HydrophobicContact CE1-CG 3.82Å; F379-L383 HydrophobicContact CZ-CD1 4.28Å; F379-L383 HydrophobicContact CZ-CD2 4.42Å; F379-L383 HydrophobicContact CZ-CG 4.38Å; F379-L383 PolarHBondContact O-N 2.72Å; Q380-L383 PolarHBondContact O-N 3.45Å; L383-M385 VanDerWaalsContact C-N 3.29Å; L383-M385 PolarHBondContact O-N 3.12Å; L383-F387 HydrophobicContact CD2-CD2 4.01Å; L383-F387 HydrophobicContact CD2-CE2 4.01Å; L383-F387 WeakPolarHBondContact O-CA 3.43Å; L383-F387 WeakPolarHBondContact O-CB 3.37Å; L383-F387 PolarHBondContact O-N 2.69Å; L383-I398 HydrophobicContact CD1-CB 4.15Å; L383-I398 HydrophobicContact CD1-CG2 4.03Å; L383-I398 HydrophobicContact CD2-CG2 3.78Å; L383-L399 HydrophobicContact CD1-CB 4.45Å; L383-L418 HydrophobicContact CD2-CD1 3.91Å; L383-L418 HydrophobicContact CG-CD1 4.47Å; L383-V421 HydrophobicContact CD2-CG1 3.91Å
384	N	90.4	Very high	92.1	Very high	80 Å²	80	55.4 Å²	55.4	43%	0.428	27%	0.27	S	S	.	.	H	α-helix	trans	-63.9	-36.6	176	-76.2	-40.3	0	0	0	112.5	Q380 E381 G382 P388 K395	Q380-N384 PolarHBondContact O-N 3.44Å; Q380-N384 PolarHBondContact O-ND2 2.9Å; E381-N384 WeakPolarHBondContact O-CB 3.39Å; E381-N384 PolarHBondContact O-N 3.17Å; G382-N384 VanDerWaalsContact C-N 3.3Å; G382-N384 PolarHBondContact O-N 2.69Å; N384-P388 WeakPolarHBondContact O-CA 3.45Å; N384-K395 VanDerWaalsContact OD1-CD 3.27Å; N384-K395 WeakPolarHBondContact OD1-CD 3.41Å; N384-K395 WeakPolarHBondContact OD1-CE 3.21Å; N384-K395 PolarHBondContact OD1-NZ 2.97Å
385	M	87.5	Confident	92	Very high	75 Å²	75	56.9 Å²	56.9	37%	0.369	28%	0.277	S	S	.	.	H	α-helix	trans	-73.4	-40	179	-177.6	176.8	-91.4	0	0	112.4	S313 L314 G362 E381 G382 L383	S313-M385 WeakPolarHBondContact CA-O 3.12Å; L314-M385 HydrophobicContact CD1-CG 4.07Å; L314-M385 HydrophobicContact CD1-SD 3.36Å; L314-M385 WeakPolarHBondContact CD1-SD 3.48Å; L314-M385 HydrophobicContact CD2-SD 4.04Å; L314-M385 HydrophobicContact CG-CG 3.88Å; L314-M385 HydrophobicContact CG-SD 3.6Å; G362-M385 WeakPolarHBondContact O-CE 3.3Å; G362-M385 VanDerWaalsContact O-SD 3.34Å; E381-M385 PolarHBondContact O-N 3.46Å; G382-M385 PolarHBondContact O-N 2.98Å; G382-M385 VanDerWaalsContact O-N 3.12Å; L383-M385 VanDerWaalsContact C-N 3.29Å; L383-M385 PolarHBondContact O-N 3.12Å
386	Y	87.1	Confident	91.9	Very high	7 Å²	7	57.7 Å²	57.7	3%	0.027	28%	0.276	C	S	.	.	H	α-helix	trans	-83.1	-30.7	-179	-83.6	-81.7	0	0	0	114.3	S313 L314 L315 F358 L359 A363 G382 P388 I422	S313-Y386 VanDerWaalsContact CB-O 3.3Å; S313-Y386 WeakPolarHBondContact CB-O 3.44Å; S313-Y386 PolarHBondContact OG-O 2.87Å; L314-Y386 HydrophobicContact CB-CD1 4.09Å; L314-Y386 HydrophobicContact CB-CE1 3.53Å; L314-Y386 HydrophobicContact CB-CE2 4.39Å; L314-Y386 HydrophobicContact CD1-CD2 4.4Å; L314-Y386 HydrophobicContact CD1-CE1 4.26Å; L314-Y386 HydrophobicContact CD1-CE2 3.64Å; L314-Y386 WeakPolarHBondContact CD1-OH 3.32Å; L314-Y386 HydrophobicContact CG-CE1 4.47Å; L315-Y386 HydrophobicContact CD1-CE1 4.05Å; L315-Y386 HydrophobicContact CG-CE1 4.03Å; F358-Y386 PolarHBondContact O-OH 3.09Å; L359-Y386 HydrophobicContact CD2-CE2 3.76Å; L359-Y386 PolarHBondContact N-OH 3.18Å; A363-Y386 HydrophobicContact CB-CE2 4.24Å; G382-Y386 WeakPolarHBondContact O-CD2 3.07Å; G382-Y386 PolarHBondContact O-N 3.43Å; Y386-P388 WeakPolarHBondContact O-CD 3.43Å; Y386-I422 HydrophobicContact CD1-CD1 3.46Å; Y386-I422 VanDerWaalsContact CD1-CD1 3.46Å; Y386-I422 HydrophobicContact CD1-CG1 4.28Å; Y386-I422 HydrophobicContact CD2-CD1 3.65Å; Y386-I422 HydrophobicContact CD2-CG1 4.21Å; Y386-I422 HydrophobicContact CE1-CD1 3.86Å; Y386-I422 HydrophobicContact CE1-CG1 4.19Å; Y386-I422 HydrophobicContact CE1-CG2 4.14Å; Y386-I422 HydrophobicContact CE2-CD1 4.05Å; Y386-I422 HydrophobicContact CE2-CG1 4.13Å; Y386-I422 HydrophobicContact CG-CD1 3.33Å; Y386-I422 HydrophobicContact CG-CG1 4.28Å
387	F	89.3	Confident	92	Very high	15 Å²	15	53.6 Å²	53.6	7%	0.066	26%	0.264	C	S	.	.			trans	-123.7	55.3	-176.6	-58.7	-76.6	0	0	0	112	L383 R389 V390 K395 I398 V421 I422 H425 W551	L383-F387 HydrophobicContact CD2-CD2 4.01Å; L383-F387 HydrophobicContact CD2-CE2 4.01Å; L383-F387 WeakPolarHBondContact O-CA 3.43Å; L383-F387 WeakPolarHBondContact O-CB 3.37Å; L383-F387 PolarHBondContact O-N 2.69Å; F387-R389 VanDerWaalsContact C-N 3.29Å; F387-R389 PolarHBondContact O-N 2.55Å; F387-V390 HydrophobicContact CB-CB 3.84Å; F387-V390 HydrophobicContact CB-CG2 3.63Å; F387-V390 HydrophobicContact CD1-CG2 4.08Å; F387-V390 HydrophobicContact CG-CG2 4.25Å; F387-V390 WeakPolarHBondContact O-CB 3.35Å; F387-V390 PolarHBondContact O-N 3.13Å; F387-V390 VanDerWaalsContact O-N 3.11Å; F387-K395 WeakPolarHBondContact O-CE 3.4Å; F387-K395 PolarHBondContact O-NZ 2.91Å; F387-I398 HydrophobicContact CD2-CD1 4.1Å; F387-I398 HydrophobicContact CE2-CD1 4.19Å; F387-I398 HydrophobicContact CG-CD1 4.37Å; F387-V421 HydrophobicContact CE2-CG1 3.64Å; F387-V421 HydrophobicContact CZ-CG1 4.01Å; F387-I422 HydrophobicContact CE2-CD1 4.12Å; F387-I422 HydrophobicContact CZ-CD1 4.41Å; F387-H425 AromaticContact CE1-CD2 3.69Å; F387-H425 AromaticContact CE1-CG 3.93Å; F387-H425 AromaticContact CE1-NE2 3.77Å; F387-H425 HydrophobicContact CZ-CB 4.33Å; F387-W551 HydrophobicContact CE1-CH2 4.41Å; F387-W551 AromaticContact CZ-CH2 3.99Å; F387-W551 HydrophobicContact CZ-CH2 3.99Å
388	P	85.6	Confident	92.1	Very high	42 Å²	42	46 Å²	46	27%	0.273	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.8	-171.9	23.2	-31.4	0	0	0	113.2	S311 D312 N384 Y386	S311-P388 WeakPolarHBondContact O-CB 3.31Å; S311-P388 WeakPolarHBondContact O-CG 3.44Å; D312-P388 WeakPolarHBondContact O-CD 3.46Å; D312-P388 WeakPolarHBondContact O-CG 3.45Å; N384-P388 WeakPolarHBondContact O-CA 3.45Å; Y386-P388 WeakPolarHBondContact O-CD 3.43Å
389	R	84	Confident	92	Very high	174 Å²	174	44 Å²	44	66%	0.657	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-10.8	177.6	-59.3	-175.2	-173.7	179	-0.2	114	E267 D312 F387	E267-R389 IonicContact OE1-NH1 3.44Å; D312-R389 IonicContact OD1-CZ 2.71Å; D312-R389 IonicContact OD1-NE 3.34Å; D312-R389 PolarHBondContact OD1-NE 3.18Å; D312-R389 IonicContact OD1-NH2 2.68Å; D312-R389 IonicContact OD2-CZ 2.71Å; D312-R389 IonicContact OD2-NE 2.73Å; D312-R389 IonicContact OD2-NH2 2.71Å; D312-R389 PolarHBondContact OD2-NH2 2.97Å; F387-R389 VanDerWaalsContact C-N 3.29Å; F387-R389 PolarHBondContact O-N 2.55Å
390	V	88.5	Confident	91.9	Very high	13 Å²	13	50.7 Å²	50.7	8%	0.079	26%	0.255	C	S	.	.	S	Bend	trans	-77	135.9	178	177	0	0	0	0	109.6	F387 K395 F555	F387-V390 HydrophobicContact CB-CB 3.84Å; F387-V390 HydrophobicContact CB-CG2 3.63Å; F387-V390 HydrophobicContact CD1-CG2 4.08Å; F387-V390 HydrophobicContact CG-CG2 4.25Å; F387-V390 WeakPolarHBondContact O-CB 3.35Å; F387-V390 PolarHBondContact O-N 3.13Å; F387-V390 VanDerWaalsContact O-N 3.11Å; V390-K395 HydrophobicContact CB-CG 4.38Å; V390-K395 HydrophobicContact CG1-CG 4.1Å; V390-K395 WeakPolarHBondContact O-CE 3.29Å; V390-K395 PolarHBondContact O-NZ 3.04Å; V390-F555 HydrophobicContact CG1-CE2 4.17Å; V390-F555 HydrophobicContact CG1-CZ 3.67Å; V390-F555 HydrophobicContact CG2-CE1 4.45Å; V390-F555 HydrophobicContact CG2-CZ 3.97Å
391	S	90.9	Very high	92	Very high	32 Å²	32	51.3 Å²	51.3	22%	0.224	26%	0.255	C	S	.	.			trans	-58.9	158.8	177.4	72.7	0	0	0	0	112.1	L393 G394 K395 T562	S391-L393 PolarHBondContact O-N 2.88Å; S391-G394 PolarHBondContact O-N 2.79Å; S391-G394 VanDerWaalsContact O-N 3.09Å; S391-G394 PolarHBondContact OG-N 3.2Å; S391-G394 VanDerWaalsContact OG-N 3.08Å; S391-K395 PolarHBondContact O-N 3.42Å; S391-T562 WeakPolarHBondContact CB-OG1 3.2Å; S391-T562 VanDerWaalsContact OG-CB 3.32Å; S391-T562 WeakPolarHBondContact OG-CB 3.22Å; S391-T562 PolarHBondContact OG-OG1 2.67Å
392	S	91.8	Very high	92.1	Very high	105 Å²	105	48.9 Å²	48.9	73%	0.734	24%	0.243	S	C	*	.	H	α-helix	trans	-57.3	-37.7	174.5	46.8	0	0	0	0	112.3	K395 E396	S392-K395 PolarHBondContact O-N 3.2Å; S392-E396 PolarHBondContact O-N 3.09Å
393	L	92.8	Very high	92	Very high	105 Å²	105	49 Å²	49	55%	0.55	24%	0.244	S	C	.	.	H	α-helix	trans	-66.9	-39.9	175	-176.2	62.9	0	0	0	112	S391 K395 E396 A397 V558 T562	S391-L393 PolarHBondContact O-N 2.88Å; L393-K395 VanDerWaalsContact C-N 3.35Å; L393-E396 PolarHBondContact O-N 3.26Å; L393-A397 WeakPolarHBondContact O-CB 3.34Å; L393-A397 PolarHBondContact O-N 3.35Å; L393-V558 HydrophobicContact CG-CG1 4.44Å; L393-T562 HydrophobicContact CB-CG2 4.06Å; L393-T562 HydrophobicContact CD2-CG2 3.57Å; L393-T562 HydrophobicContact CG-CG2 4.24Å
394	G	94.4	Very high	91.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60.3	-44.3	174.3	0	0	0	0	0	112	S391 A397 I398	S391-G394 PolarHBondContact O-N 2.79Å; S391-G394 VanDerWaalsContact O-N 3.09Å; S391-G394 PolarHBondContact OG-N 3.2Å; S391-G394 VanDerWaalsContact OG-N 3.08Å; G394-A397 WeakPolarHBondContact O-CB 3.43Å; G394-A397 PolarHBondContact O-N 3.07Å; G394-I398 WeakPolarHBondContact O-CG1 3.39Å; G394-I398 PolarHBondContact O-N 3.14Å
395	K	94.7	Very high	91.3	Very high	32 Å²	32	54.8 Å²	54.8	14%	0.139	27%	0.266	C	S	.	.	H	α-helix	trans	-64.6	-40.6	176	-68.5	168.7	179.6	166.3	0	112.7	N384 F387 V390 S391 S392 L393 A397 I398 L399	N384-K395 VanDerWaalsContact OD1-CD 3.27Å; N384-K395 WeakPolarHBondContact OD1-CD 3.41Å; N384-K395 WeakPolarHBondContact OD1-CE 3.21Å; N384-K395 PolarHBondContact OD1-NZ 2.97Å; F387-K395 WeakPolarHBondContact O-CE 3.4Å; F387-K395 PolarHBondContact O-NZ 2.91Å; V390-K395 HydrophobicContact CB-CG 4.38Å; V390-K395 HydrophobicContact CG1-CG 4.1Å; V390-K395 WeakPolarHBondContact O-CE 3.29Å; V390-K395 PolarHBondContact O-NZ 3.04Å; S391-K395 PolarHBondContact O-N 3.42Å; S392-K395 PolarHBondContact O-N 3.2Å; L393-K395 VanDerWaalsContact C-N 3.35Å; K395-A397 VanDerWaalsContact C-N 3.3Å; K395-A397 PolarHBondContact O-N 3.43Å; K395-I398 PolarHBondContact O-N 2.96Å; K395-L399 PolarHBondContact O-N 2.92Å
396	E	94.8	Very high	91.2	Very high	84 Å²	84	59.3 Å²	59.3	39%	0.393	29%	0.291	S	S	.	.	H	α-helix	trans	-66.1	-34.6	175.2	-165.4	63.5	-160.5	0	0	111.5	R376 S392 L393 L399 F400	R376-E396 IonicContact NH2-OE1 3.32Å; S392-E396 PolarHBondContact O-N 3.09Å; L393-E396 PolarHBondContact O-N 3.26Å; E396-L399 PolarHBondContact O-N 3.36Å; E396-F400 WeakPolarHBondContact O-CB 3.35Å; E396-F400 PolarHBondContact O-N 2.82Å
397	A	96.3	Very high	91	Very high	14 Å²	14	60.6 Å²	60.6	12%	0.116	31%	0.306	C	S	.	.	H	α-helix	trans	-64	-39.6	173.2	0	0	0	0	0	112.3	L393 G394 K395 Y401 F550 F554	L393-A397 WeakPolarHBondContact O-CB 3.34Å; L393-A397 PolarHBondContact O-N 3.35Å; G394-A397 WeakPolarHBondContact O-CB 3.43Å; G394-A397 PolarHBondContact O-N 3.07Å; K395-A397 VanDerWaalsContact C-N 3.3Å; K395-A397 PolarHBondContact O-N 3.43Å; A397-Y401 VanDerWaalsContact O-CB 3.26Å; A397-Y401 WeakPolarHBondContact O-CB 3.25Å; A397-Y401 PolarHBondContact O-N 3Å; A397-Y401 VanDerWaalsContact O-N 3.09Å; A397-F550 HydrophobicContact CB-CE2 4.35Å; A397-F550 HydrophobicContact CB-CZ 4.43Å; A397-F554 HydrophobicContact CB-CE1 4.13Å
398	I	96.8	Very high	90.7	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63	-52.1	173.8	-63.6	164.9	0	0	0	110.1	L383 F387 G394 K395 F400 Y401 Y402 V421 F550 W551 F555	L383-I398 HydrophobicContact CD1-CB 4.15Å; L383-I398 HydrophobicContact CD1-CG2 4.03Å; L383-I398 HydrophobicContact CD2-CG2 3.78Å; F387-I398 HydrophobicContact CD2-CD1 4.1Å; F387-I398 HydrophobicContact CE2-CD1 4.19Å; F387-I398 HydrophobicContact CG-CD1 4.37Å; G394-I398 WeakPolarHBondContact O-CG1 3.39Å; G394-I398 PolarHBondContact O-N 3.14Å; K395-I398 PolarHBondContact O-N 2.96Å; I398-F400 VanDerWaalsContact C-N 3.33Å; I398-F400 PolarHBondContact O-N 2.76Å; I398-Y401 PolarHBondContact O-N 3.37Å; I398-Y401 VanDerWaalsContact O-N 3.17Å; I398-Y402 HydrophobicContact CG2-CD2 4.08Å; I398-Y402 WeakPolarHBondContact O-CD2 3.49Å; I398-Y402 PolarHBondContact O-N 2.87Å; I398-V421 HydrophobicContact CG2-CB 4.46Å; I398-V421 HydrophobicContact CG2-CG1 3.85Å; I398-V421 HydrophobicContact CG2-CG2 3.61Å; I398-F550 HydrophobicContact CG1-CE1 4.13Å; I398-F550 HydrophobicContact CG1-CZ 3.99Å; I398-W551 HydrophobicContact CD1-CH2 3.72Å; I398-W551 HydrophobicContact CD1-CZ3 4.11Å; I398-W551 HydrophobicContact CG1-CH2 3.68Å; I398-W551 HydrophobicContact CG1-CZ3 4.11Å; I398-W551 HydrophobicContact CG2-CH2 4.28Å; I398-F555 HydrophobicContact CD1-CE2 3.6Å; I398-F555 HydrophobicContact CD1-CZ 3.84Å; I398-F555 HydrophobicContact CG1-CD2 4.12Å; I398-F555 HydrophobicContact CG1-CE2 3.6Å; I398-F555 HydrophobicContact CG1-CZ 4.33Å
399	L	95.5	Very high	90.6	Very high	1 Å²	1	68 Å²	68	1%	0.005	34%	0.342	C	S	.	.	H	α-helix	trans	-54.5	-49.9	177.8	177.5	75.5	0	0	0	111.2	F379 Q380 L383 K395 E396 Y401 V403	F379-L399 HydrophobicContact CD1-CD1 3.38Å; F379-L399 HydrophobicContact CE1-CB 4.13Å; F379-L399 HydrophobicContact CE1-CD1 3.29Å; F379-L399 HydrophobicContact CE1-CG 4.31Å; F379-L399 HydrophobicContact CG-CD1 4.42Å; F379-L399 HydrophobicContact CZ-CD1 4.28Å; Q380-L399 HydrophobicContact CG-CD2 4.45Å; L383-L399 HydrophobicContact CD1-CB 4.45Å; K395-L399 PolarHBondContact O-N 2.92Å; E396-L399 PolarHBondContact O-N 3.36Å; L399-Y401 PolarHBondContact O-N 3.41Å; L399-V403 HydrophobicContact CD1-CG2 3.68Å; L399-V403 HydrophobicContact CG-CG2 4.35Å; L399-V403 WeakPolarHBondContact O-CB 3.47Å; L399-V403 VanDerWaalsContact O-CG2 3.31Å; L399-V403 WeakPolarHBondContact O-CG2 3.45Å; L399-V403 PolarHBondContact O-N 3.22Å; L399-V403 VanDerWaalsContact O-N 3.14Å
400	F	94.7	Very high	91	Very high	141 Å²	141	62.2 Å²	62.2	62%	0.618	33%	0.326	S	S	*	.	H	α-helix	trans	-58.8	-38.9	-179.2	177.3	-98.6	0	0	0	112.3	E396 I398 W405	E396-F400 WeakPolarHBondContact O-CB 3.35Å; E396-F400 PolarHBondContact O-N 2.82Å; I398-F400 VanDerWaalsContact C-N 3.33Å; I398-F400 PolarHBondContact O-N 2.76Å; F400-W405 AromaticContact CD2-NE1 3.79Å; F400-W405 PolarHBondContact O-NE1 3.21Å
401	Y	96.1	Very high	91.2	Very high	79 Å²	79	64.2 Å²	64.2	31%	0.31	34%	0.34	S	S	.	.	H	α-helix	trans	-78.9	-37.9	-174.4	-173.6	-95.1	0	0	0	113.6	A397 I398 L399 P546 Q547 F550	A397-Y401 VanDerWaalsContact O-CB 3.26Å; A397-Y401 WeakPolarHBondContact O-CB 3.25Å; A397-Y401 PolarHBondContact O-N 3Å; A397-Y401 VanDerWaalsContact O-N 3.09Å; I398-Y401 PolarHBondContact O-N 3.37Å; I398-Y401 VanDerWaalsContact O-N 3.17Å; L399-Y401 PolarHBondContact O-N 3.41Å; Y401-P546 WeakPolarHBondContact OH-CA 3.17Å; Y401-P546 WeakPolarHBondContact OH-CB 3.32Å; Y401-P546 PolarHBondContact OH-O 3.06Å; Y401-Q547 HydrophobicContact CE1-CB 4.23Å; Y401-Q547 HydrophobicContact CE1-CG 3.96Å; Y401-Q547 WeakPolarHBondContact OH-CA 3.34Å; Y401-Q547 PolarHBondContact OH-N 3.09Å; Y401-F550 HydrophobicContact CD1-CB 3.97Å; Y401-F550 HydrophobicContact CD1-CD1 4.11Å; Y401-F550 AromaticContact CD1-CD2 3.98Å; Y401-F550 HydrophobicContact CD1-CD2 3.98Å; Y401-F550 AromaticContact CD1-CG 3.75Å; Y401-F550 HydrophobicContact CD1-CG 3.75Å; Y401-F550 HydrophobicContact CD2-CB 4.19Å; Y401-F550 AromaticContact CD2-CD2 3.69Å; Y401-F550 HydrophobicContact CD2-CD2 3.69Å; Y401-F550 HydrophobicContact CD2-CE2 4.4Å; Y401-F550 HydrophobicContact CD2-CG 4.13Å; Y401-F550 HydrophobicContact CE1-CB 3.77Å; Y401-F550 HydrophobicContact CE1-CG 4.08Å; Y401-F550 HydrophobicContact CE2-CB 4Å; Y401-F550 HydrophobicContact CE2-CD2 4.33Å; Y401-F550 HydrophobicContact CE2-CG 4.44Å; Y401-F550 HydrophobicContact CG-CB 4.19Å; Y401-F550 HydrophobicContact CG-CD1 4.43Å; Y401-F550 AromaticContact CG-CD2 3.51Å; Y401-F550 HydrophobicContact CG-CD2 3.51Å; Y401-F550 AromaticContact CG-CE2 3.94Å; Y401-F550 HydrophobicContact CG-CE2 3.94Å; Y401-F550 AromaticContact CG-CG 3.8Å; Y401-F550 HydrophobicContact CG-CG 3.8Å
402	Y	95.8	Very high	91.4	Very high	24 Å²	24	66.2 Å²	66.2	9%	0.094	35%	0.345	C	S	.	.	H	α-helix	trans	-91	-22	-174.5	-82.5	-93.7	0	0	0	114.7	I398 D420 V421 D424 Q547 F550 W551	I398-Y402 HydrophobicContact CG2-CD2 4.08Å; I398-Y402 WeakPolarHBondContact O-CD2 3.49Å; I398-Y402 PolarHBondContact O-N 2.87Å; Y402-D420 HydrophobicContact CD1-CB 3.9Å; Y402-D420 HydrophobicContact CE1-CB 3.87Å; Y402-V421 HydrophobicContact CD1-CG2 3.58Å; Y402-V421 HydrophobicContact CD2-CG2 3.45Å; Y402-V421 VanDerWaalsContact CD2-CG2 3.45Å; Y402-V421 HydrophobicContact CE1-CG2 3.99Å; Y402-V421 HydrophobicContact CE2-CG2 3.87Å; Y402-V421 HydrophobicContact CG-CG2 3.31Å; Y402-D424 WeakPolarHBondContact OH-CB 3.36Å; Y402-D424 PolarHBondContact OH-OD2 2.96Å; Y402-D424 VanDerWaalsContact OH-OD2 3.12Å; Y402-Q547 HydrophobicContact CE1-CG 4.29Å; Y402-F550 HydrophobicContact CE2-CD1 4.28Å; Y402-F550 HydrophobicContact CE2-CE1 4.31Å; Y402-W551 AromaticContact CE2-CZ2 3.8Å; Y402-W551 HydrophobicContact CE2-CZ2 3.8Å; Y402-W551 AromaticContact CZ-NE1 3.67Å; Y402-W551 PolarHBondContact OH-NE1 2.93Å
403	V	90.8	Very high	91.5	Very high	4 Å²	4	63.3 Å²	63.3	2%	0.024	32%	0.323	C	S	.	.	S	Bend	trans	-85.3	121.6	178.1	177	0	0	0	0	109.5	L399 W405 Y414	L399-V403 HydrophobicContact CD1-CG2 3.68Å; L399-V403 HydrophobicContact CG-CG2 4.35Å; L399-V403 WeakPolarHBondContact O-CB 3.47Å; L399-V403 VanDerWaalsContact O-CG2 3.31Å; L399-V403 WeakPolarHBondContact O-CG2 3.45Å; L399-V403 PolarHBondContact O-N 3.22Å; L399-V403 VanDerWaalsContact O-N 3.14Å; V403-W405 HydrophobicContact CB-CZ2 4.09Å; V403-W405 HydrophobicContact CG1-CD2 4.33Å; V403-W405 HydrophobicContact CG1-CE3 4.45Å; V403-W405 HydrophobicContact CG1-CH2 4.32Å; V403-W405 HydrophobicContact CG1-CZ2 4.18Å; V403-W405 HydrophobicContact CG1-CZ3 4.45Å; V403-W405 PolarHBondContact O-N 3.43Å; V403-W405 VanDerWaalsContact O-N 3.12Å; V403-W405 PolarHBondContact O-NE1 2.96Å; V403-W405 VanDerWaalsContact O-NE1 3.15Å; V403-Y414 HydrophobicContact CG1-CE1 4.08Å; V403-Y414 HydrophobicContact CG2-CD1 4.07Å; V403-Y414 HydrophobicContact CG2-CE1 3.77Å
404	D	84.6	Confident	91.6	Very high	94 Å²	94	59 Å²	59	50%	0.503	30%	0.299	S	S	.	.			trans	-73.3	101.5	174.8	178.1	13.1	0	0	0	110.6	L406 G407 Q409	D404-L406 VanDerWaalsContact C-N 3.26Å; D404-L406 PolarHBondContact O-N 3.36Å; D404-L406 WeakPolarHBondContact OD1-CB 3.48Å; D404-L406 PolarHBondContact OD1-N 3.2Å; D404-G407 PolarHBondContact O-N 2.94Å; D404-Q409 PolarHBondContact O-NE2 3.42Å
405	W	85.9	Confident	91.7	Very high	109 Å²	109	60.3 Å²	60.3	41%	0.413	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-9.1	-179.6	-56.8	98.4	0	0	0	114.8	F400 V403	F400-W405 AromaticContact CD2-NE1 3.79Å; F400-W405 PolarHBondContact O-NE1 3.21Å; V403-W405 HydrophobicContact CB-CZ2 4.09Å; V403-W405 HydrophobicContact CG1-CD2 4.33Å; V403-W405 HydrophobicContact CG1-CE3 4.45Å; V403-W405 HydrophobicContact CG1-CH2 4.32Å; V403-W405 HydrophobicContact CG1-CZ2 4.18Å; V403-W405 HydrophobicContact CG1-CZ3 4.45Å; V403-W405 PolarHBondContact O-N 3.43Å; V403-W405 VanDerWaalsContact O-N 3.12Å; V403-W405 PolarHBondContact O-NE1 2.96Å; V403-W405 VanDerWaalsContact O-NE1 3.15Å
406	L	84.8	Confident	91.9	Very high	171 Å²	171	62.2 Å²	62.2	90%	0.895	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-23.3	177.3	-63.6	175.9	0	0	0	112.3	D404	D404-L406 VanDerWaalsContact C-N 3.26Å; D404-L406 PolarHBondContact O-N 3.36Å; D404-L406 WeakPolarHBondContact OD1-CB 3.48Å; D404-L406 PolarHBondContact OD1-N 3.2Å
407	G	82.6	Confident	92	Very high	33 Å²	33	58.5 Å²	58.5	34%	0.34	30%	0.3	S	S	.	.	S	Bend	trans	-91	169.6	178.4	0	0	0	0	0	114.3	D404 Q409	D404-G407 PolarHBondContact O-N 2.94Å; G407-Q409 PolarHBondContact O-N 3.11Å; G407-Q409 PolarHBondContact O-NE2 3.26Å
408	D	82.6	Confident	92	Very high	141 Å²	141	57.8 Å²	57.8	75%	0.754	29%	0.294	S	S	*	.			trans	-63.6	126.2	171.2	-70.7	-26.9	0	0	0	109.7	T410	D408-T410 HydrophobicContact CB-CG2 3.97Å; D408-T410 PolarHBondContact O-N 2.87Å
409	Q	85.4	Confident	92	Very high	72 Å²	72	58.2 Å²	58.2	34%	0.336	30%	0.296	S	S	.	.			trans	-75.8	61.1	-178.6	-60.6	-60.4	-56.5	0	0	111.5	D404 G407 Y414	D404-Q409 PolarHBondContact O-NE2 3.42Å; G407-Q409 PolarHBondContact O-N 3.11Å; G407-Q409 PolarHBondContact O-NE2 3.26Å; Q409-Y414 HydrophobicContact CB-CE2 4.29Å; Q409-Y414 PolarHBondContact OE1-OH 3.45Å
410	T	91.1	Very high	92.1	Very high	53 Å²	53	60.1 Å²	60.1	33%	0.325	31%	0.306	S	S	.	.			trans	-76.7	154.3	-179.3	59.4	0	0	0	0	111.3	D408 E412 V413	D408-T410 HydrophobicContact CB-CG2 3.97Å; D408-T410 PolarHBondContact O-N 2.87Å; T410-E412 VanDerWaalsContact CB-OE2 3.3Å; T410-E412 WeakPolarHBondContact CB-OE2 3.15Å; T410-E412 PolarHBondContact O-N 2.72Å; T410-V413 PolarHBondContact O-N 3.22Å; T410-V413 VanDerWaalsContact O-N 3.13Å; T410-V413 WeakPolarHBondContact OG1-CG2 3.34Å
411	P	93.6	Very high	92.3	Very high	55 Å²	55	53.4 Å²	53.4	36%	0.357	28%	0.277	S	S	.	.	H	α-helix	trans	-56.6	-31.2	177.4	-28.3	37.3	0	0	0	114.9	L373 I374 V413 Y414 R415	L373-P411 HydrophobicContact CB-CB 3.76Å; L373-P411 HydrophobicContact CD2-CB 4.46Å; I374-P411 WeakPolarHBondContact O-CA 3.19Å; I374-P411 WeakPolarHBondContact O-CB 3.45Å; P411-V413 VanDerWaalsContact C-N 3.35Å; P411-Y414 PolarHBondContact O-N 3.17Å; P411-R415 PolarHBondContact O-N 3.43Å; P411-R415 VanDerWaalsContact O-N 3.16Å
412	E	94.3	Very high	92.2	Very high	73 Å²	73	49.7 Å²	49.7	34%	0.341	26%	0.262	S	S	.	.	H	α-helix	trans	-62.4	-41	176.7	-65.6	77.5	179.7	0	0	111.5	L373 T410 Y414 R415 D416	L373-E412 HydrophobicContact CD2-CB 4.48Å; L373-E412 HydrophobicContact CD2-CG 3.55Å; L373-E412 WeakPolarHBondContact CD2-OE1 3.25Å; T410-E412 VanDerWaalsContact CB-OE2 3.3Å; T410-E412 WeakPolarHBondContact CB-OE2 3.15Å; T410-E412 PolarHBondContact O-N 2.72Å; E412-Y414 VanDerWaalsContact C-N 3.32Å; E412-Y414 PolarHBondContact O-N 2.99Å; E412-R415 WeakPolarHBondContact O-CB 3.45Å; E412-R415 PolarHBondContact O-N 3.19Å; E412-D416 VanDerWaalsContact O-CG 3.28Å; E412-D416 PolarHBondContact O-N 3.18Å
413	V	93.6	Very high	92.3	Very high	44 Å²	44	48.6 Å²	48.6	27%	0.267	26%	0.259	S	S	.	.	H	α-helix	trans	-62.3	-41.4	179.7	170.1	0	0	0	0	110.9	T410 P411 A417	T410-V413 PolarHBondContact O-N 3.22Å; T410-V413 VanDerWaalsContact O-N 3.13Å; T410-V413 WeakPolarHBondContact OG1-CG2 3.34Å; P411-V413 VanDerWaalsContact C-N 3.35Å; V413-A417 WeakPolarHBondContact O-CB 3.38Å; V413-A417 PolarHBondContact O-N 3.33Å
414	Y	96.4	Very high	92.7	Very high	14 Å²	14	48.4 Å²	48.4	6%	0.055	26%	0.258	C	S	.	.	H	α-helix	trans	-67.6	-40.7	176.4	-70.4	-70.9	0	0	0	111.9	R376 F379 V403 Q409 P411 E412 A417 L418	R376-Y414 HydrophobicContact CB-CD1 4.39Å; R376-Y414 HydrophobicContact CB-CE1 3.8Å; R376-Y414 HydrophobicContact CB-CE2 4.08Å; R376-Y414 HydrophobicContact CG-CE1 3.88Å; F379-Y414 HydrophobicContact CB-CD1 3.99Å; F379-Y414 HydrophobicContact CB-CG 4.45Å; F379-Y414 HydrophobicContact CD2-CD1 4.19Å; F379-Y414 VanDerWaalsContact CD2-O 3.3Å; F379-Y414 WeakPolarHBondContact CD2-O 3.48Å; F379-Y414 HydrophobicContact CG-CD1 4.03Å; V403-Y414 HydrophobicContact CG1-CE1 4.08Å; V403-Y414 HydrophobicContact CG2-CD1 4.07Å; V403-Y414 HydrophobicContact CG2-CE1 3.77Å; Q409-Y414 HydrophobicContact CB-CE2 4.29Å; Q409-Y414 PolarHBondContact OE1-OH 3.45Å; P411-Y414 PolarHBondContact O-N 3.17Å; E412-Y414 VanDerWaalsContact C-N 3.32Å; E412-Y414 PolarHBondContact O-N 2.99Å; Y414-A417 PolarHBondContact O-N 3.25Å; Y414-L418 PolarHBondContact O-N 3.08Å
415	R	96.7	Very high	93.2	Very high	29 Å²	29	45.8 Å²	45.8	11%	0.109	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-53.7	176.5	-179.5	-163.5	66.5	-151.7	-8.9	111	F366 D371 S372 I374 P411 E412 A417 L418 D419 W462	F366-R415 HydrophobicContact CE1-CG 3.65Å; F366-R415 HydrophobicContact CZ-CG 4.13Å; D371-R415 VanDerWaalsContact O-CD 3.26Å; D371-R415 WeakPolarHBondContact O-CD 3.16Å; D371-R415 PolarHBondContact O-NH1 2.88Å; S372-R415 WeakPolarHBondContact O-CB 3.34Å; S372-R415 VanDerWaalsContact O-CD 3.24Å; S372-R415 WeakPolarHBondContact O-CD 3.19Å; S372-R415 VanDerWaalsContact O-CG 3.23Å; S372-R415 WeakPolarHBondContact O-CG 3.26Å; I374-R415 HydrophobicContact CG1-CB 4.12Å; P411-R415 PolarHBondContact O-N 3.43Å; P411-R415 VanDerWaalsContact O-N 3.16Å; E412-R415 WeakPolarHBondContact O-CB 3.45Å; E412-R415 PolarHBondContact O-N 3.19Å; R415-A417 VanDerWaalsContact C-N 3.35Å; R415-L418 PolarHBondContact O-N 2.7Å; R415-D419 PolarHBondContact O-N 3.01Å; R415-W462 HydrophobicContact CG-CE3 4.24Å
416	D	96.8	Very high	93.6	Very high	71 Å²	71	41.1 Å²	41.1	38%	0.38	23%	0.226	S	C	.	.	H	α-helix	trans	-69	-35.9	-176	-62.1	-7.1	0	0	0	110.9	E412 L418 D419 D420	E412-D416 VanDerWaalsContact O-CG 3.28Å; E412-D416 PolarHBondContact O-N 3.18Å; D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 2.8Å; D416-D419 PolarHBondContact O-N 3.47Å; D416-D420 WeakPolarHBondContact O-CB 3.49Å; D416-D420 PolarHBondContact O-N 3.07Å
417	A	96.9	Very high	94.2	Very high	6 Å²	6	33 Å²	33	5%	0.05	18%	0.183	C	C	.	.	H	α-helix	trans	-61.9	-37.4	173.2	0	0	0	0	0	112.2	F379 V413 Y414 R415 D420 V421	F379-A417 HydrophobicContact CE2-CB 3.78Å; V413-A417 WeakPolarHBondContact O-CB 3.38Å; V413-A417 PolarHBondContact O-N 3.33Å; Y414-A417 PolarHBondContact O-N 3.25Å; R415-A417 VanDerWaalsContact C-N 3.35Å; A417-D420 PolarHBondContact O-N 2.81Å; A417-V421 VanDerWaalsContact O-CG2 3.24Å; A417-V421 WeakPolarHBondContact O-CG2 3.44Å; A417-V421 PolarHBondContact O-N 3.15Å
418	L	96.8	Very high	95	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-72.7	-37.1	-179.9	-166.8	62.6	0	0	0	111.4	L359 F366 I374 F379 L383 Y414 R415 D416 V421 I422	L359-L418 HydrophobicContact CD2-CD2 3.86Å; L359-L418 HydrophobicContact CD2-CG 3.87Å; F366-L418 HydrophobicContact CE2-CD2 3.57Å; F366-L418 HydrophobicContact CZ-CB 4.3Å; F366-L418 HydrophobicContact CZ-CD2 3.87Å; I374-L418 HydrophobicContact CD1-CD2 4.38Å; F379-L418 HydrophobicContact CD2-CB 3.84Å; F379-L418 HydrophobicContact CD2-CD1 4.2Å; F379-L418 HydrophobicContact CD2-CG 4.48Å; F379-L418 HydrophobicContact CE2-CB 3.86Å; F379-L418 HydrophobicContact CE2-CD1 4.05Å; L383-L418 HydrophobicContact CD2-CD1 3.91Å; L383-L418 HydrophobicContact CG-CD1 4.47Å; Y414-L418 PolarHBondContact O-N 3.08Å; R415-L418 PolarHBondContact O-N 2.7Å; D416-L418 VanDerWaalsContact C-N 3.31Å; D416-L418 PolarHBondContact O-N 2.8Å; L418-V421 PolarHBondContact O-N 3.32Å; L418-I422 VanDerWaalsContact O-CG1 3.3Å; L418-I422 WeakPolarHBondContact O-CG1 3.36Å; L418-I422 PolarHBondContact O-N 3.26Å; L418-I422 VanDerWaalsContact O-N 3.1Å
419	D	97.3	Very high	95.7	Very high	8 Å²	8	24.9 Å²	24.9	4%	0.043	13%	0.132	C	C	.	.	H	α-helix	trans	-55	-54.4	167.8	168.6	46.2	0	0	0	111.2	G355 T356 L359 R415 D416 V421 I422 G423	G355-D419 VanDerWaalsContact C-OD1 3.25Å; G355-D419 WeakPolarHBondContact CA-OD1 3.38Å; G355-D419 PolarHBondContact N-OD1 2.79Å; T356-D419 HydrophobicContact CG2-CB 3.78Å; T356-D419 VanDerWaalsContact CG2-OD1 3.25Å; T356-D419 WeakPolarHBondContact CG2-OD1 3.36Å; T356-D419 WeakPolarHBondContact CG2-OD2 3.23Å; T356-D419 PolarHBondContact N-OD1 3.07Å; L359-D419 HydrophobicContact CD1-CB 4.17Å; R415-D419 PolarHBondContact O-N 3.01Å; D416-D419 PolarHBondContact O-N 3.47Å; D419-V421 VanDerWaalsContact C-N 3.31Å; D419-V421 PolarHBondContact O-N 2.98Å; D419-I422 PolarHBondContact O-N 2.94Å; D419-I422 VanDerWaalsContact O-N 3.08Å; D419-G423 PolarHBondContact O-N 2.83Å
420	D	98.1	Very high	96.3	Very high	41 Å²	41	22 Å²	22	22%	0.219	12%	0.119	C	C	.	.	H	α-helix	trans	-56.1	-43.4	179.6	-93.8	-3.7	0	0	0	111.9	Y402 D416 A417 I422 D424 R544	Y402-D420 HydrophobicContact CD1-CB 3.9Å; Y402-D420 HydrophobicContact CE1-CB 3.87Å; D416-D420 WeakPolarHBondContact O-CB 3.49Å; D416-D420 PolarHBondContact O-N 3.07Å; A417-D420 PolarHBondContact O-N 2.81Å; D420-I422 PolarHBondContact O-N 3.04Å; D420-D424 WeakPolarHBondContact O-CB 3.42Å; D420-D424 VanDerWaalsContact O-CG 3.23Å; D420-D424 PolarHBondContact O-N 2.82Å; D420-R544 IonicContact OD1-CZ 3.9Å; D420-R544 IonicContact OD1-NH1 3.18Å; D420-R544 PolarHBondContact OD1-NH1 3Å; D420-R544 IonicContact OD1-NH2 3.93Å; D420-R544 PolarHBondContact OD1-NH2 3.07Å; D420-R544 IonicContact OD2-CZ 3.3Å; D420-R544 VanDerWaalsContact OD2-CZ 3.28Å; D420-R544 IonicContact OD2-NH1 3.13Å; D420-R544 PolarHBondContact OD2-NH1 3.21Å; D420-R544 IonicContact OD2-NH2 2.69Å; D420-R544 PolarHBondContact OD2-NH2 3.14Å
421	V	97.7	Very high	96.7	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-57.5	-49.7	175.5	166	0	0	0	0	111.2	F379 L383 F387 I398 Y402 A417 L418 D419 H425 W551	F379-V421 HydrophobicContact CZ-CG2 4.34Å; L383-V421 HydrophobicContact CD2-CG1 3.91Å; F387-V421 HydrophobicContact CE2-CG1 3.64Å; F387-V421 HydrophobicContact CZ-CG1 4.01Å; I398-V421 HydrophobicContact CG2-CB 4.46Å; I398-V421 HydrophobicContact CG2-CG1 3.85Å; I398-V421 HydrophobicContact CG2-CG2 3.61Å; Y402-V421 HydrophobicContact CD1-CG2 3.58Å; Y402-V421 HydrophobicContact CD2-CG2 3.45Å; Y402-V421 VanDerWaalsContact CD2-CG2 3.45Å; Y402-V421 HydrophobicContact CE1-CG2 3.99Å; Y402-V421 HydrophobicContact CE2-CG2 3.87Å; Y402-V421 HydrophobicContact CG-CG2 3.31Å; A417-V421 VanDerWaalsContact O-CG2 3.24Å; A417-V421 WeakPolarHBondContact O-CG2 3.44Å; A417-V421 PolarHBondContact O-N 3.15Å; L418-V421 PolarHBondContact O-N 3.32Å; D419-V421 VanDerWaalsContact C-N 3.31Å; D419-V421 PolarHBondContact O-N 2.98Å; V421-H425 VanDerWaalsContact O-CB 3.23Å; V421-H425 WeakPolarHBondContact O-CB 3.3Å; V421-H425 PolarHBondContact O-N 3.46Å; V421-H425 VanDerWaalsContact O-N 3.12Å; V421-W551 HydrophobicContact CG1-CH2 4.32Å; V421-W551 HydrophobicContact CG1-CZ2 4.05Å
422	I	95.4	Very high	96.9	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-71.4	-44.5	-175.4	-62.2	-50.2	0	0	0	110.8	L315 F358 L359 Y386 F387 L418 D419 D420 N426	L315-I422 HydrophobicContact CD1-CG2 3.59Å; F358-I422 HydrophobicContact CD2-CG2 4.22Å; L359-I422 HydrophobicContact CD2-CG1 3.98Å; Y386-I422 HydrophobicContact CD1-CD1 3.46Å; Y386-I422 VanDerWaalsContact CD1-CD1 3.46Å; Y386-I422 HydrophobicContact CD1-CG1 4.28Å; Y386-I422 HydrophobicContact CD2-CD1 3.65Å; Y386-I422 HydrophobicContact CD2-CG1 4.21Å; Y386-I422 HydrophobicContact CE1-CD1 3.86Å; Y386-I422 HydrophobicContact CE1-CG1 4.19Å; Y386-I422 HydrophobicContact CE1-CG2 4.14Å; Y386-I422 HydrophobicContact CE2-CD1 4.05Å; Y386-I422 HydrophobicContact CE2-CG1 4.13Å; Y386-I422 HydrophobicContact CG-CD1 3.33Å; Y386-I422 HydrophobicContact CG-CG1 4.28Å; F387-I422 HydrophobicContact CE2-CD1 4.12Å; F387-I422 HydrophobicContact CZ-CD1 4.41Å; L418-I422 VanDerWaalsContact O-CG1 3.3Å; L418-I422 WeakPolarHBondContact O-CG1 3.36Å; L418-I422 PolarHBondContact O-N 3.26Å; L418-I422 VanDerWaalsContact O-N 3.1Å; D419-I422 PolarHBondContact O-N 2.94Å; D419-I422 VanDerWaalsContact O-N 3.08Å; D420-I422 PolarHBondContact O-N 3.04Å; I422-N426 VanDerWaalsContact O-CB 3.28Å; I422-N426 WeakPolarHBondContact O-CB 3.41Å; I422-N426 PolarHBondContact O-N 2.93Å; I422-N426 VanDerWaalsContact O-N 3.08Å; I422-N426 PolarHBondContact O-ND2 3.3Å
423	G	97.4	Very high	97.1	Very high	2 Å²	2	16 Å²	16	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-64.9	-45.6	178	0	0	0	0	0	112.8	D419 I427 I428	D419-G423 PolarHBondContact O-N 2.83Å; G423-I427 WeakPolarHBondContact O-CA 3.14Å; G423-I427 PolarHBondContact O-N 2.8Å; G423-I428 PolarHBondContact O-N 3.09Å
424	D	98.4	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.07	C	C	.	.	I	π-helix	trans	-66.1	-47.5	-179.9	-75.4	-27.9	0	0	0	111.8	Y402 D420 I428 C429 P430 R544 Q547	Y402-D424 WeakPolarHBondContact OH-CB 3.36Å; Y402-D424 PolarHBondContact OH-OD2 2.96Å; Y402-D424 VanDerWaalsContact OH-OD2 3.12Å; D420-D424 WeakPolarHBondContact O-CB 3.42Å; D420-D424 VanDerWaalsContact O-CG 3.23Å; D420-D424 PolarHBondContact O-N 2.82Å; D424-I428 WeakPolarHBondContact OD1-CD1 3.36Å; D424-C429 WeakPolarHBondContact O-CB 3.38Å; D424-C429 PolarHBondContact O-N 2.83Å; D424-C429 PolarHBondContact O-SG 2.94Å; D424-P430 WeakPolarHBondContact O-CD 3.25Å; D424-R544 IonicContact OD1-CZ 3.9Å; D424-R544 IonicContact OD1-NE 2.74Å; D424-R544 PolarHBondContact OD1-NE 3.48Å; D424-R544 IonicContact OD1-NH2 2.7Å; D424-R544 IonicContact OD2-CZ 2.69Å; D424-R544 VanDerWaalsContact OD2-CZ 3.3Å; D424-R544 IonicContact OD2-NE 2.64Å; D424-R544 PolarHBondContact OD2-NE 3.4Å; D424-R544 VanDerWaalsContact OD2-NE 3.13Å; D424-R544 IonicContact OD2-NH2 3.84Å; D424-R544 PolarHBondContact OD2-NH2 2.76Å; D424-Q547 WeakPolarHBondContact OD2-CB 2.97Å; D424-Q547 WeakPolarHBondContact OD2-CG 3.13Å
425	H	96	Very high	97.4	Very high	39 Å²	39	13.3 Å²	13.3	18%	0.181	7%	0.068	C	C	.	.	I	π-helix	trans	-66	-44.1	-178.4	-177.2	78.6	0	0	0	112.4	F387 V421 P430 W551	F387-H425 AromaticContact CE1-CD2 3.69Å; F387-H425 AromaticContact CE1-CG 3.93Å; F387-H425 AromaticContact CE1-NE2 3.77Å; F387-H425 HydrophobicContact CZ-CB 4.33Å; V421-H425 VanDerWaalsContact O-CB 3.23Å; V421-H425 WeakPolarHBondContact O-CB 3.3Å; V421-H425 PolarHBondContact O-N 3.46Å; V421-H425 VanDerWaalsContact O-N 3.12Å; H425-P430 WeakPolarHBondContact O-CD 3.44Å; H425-P430 VanDerWaalsContact O-CG 3.28Å; H425-P430 WeakPolarHBondContact O-CG 3.28Å; H425-W551 HydrophobicContact CB-CD2 4.17Å; H425-W551 HydrophobicContact CB-CE3 4.48Å; H425-W551 HydrophobicContact CB-CH2 4.17Å; H425-W551 HydrophobicContact CB-CZ2 3.84Å; H425-W551 HydrophobicContact CB-CZ3 4.47Å; H425-W551 AromaticContact ND1-CD2 3.74Å; H425-W551 AromaticContact ND1-CE3 3.32Å; H425-W551 VanDerWaalsContact ND1-CE3 3.32Å; H425-W551 AromaticContact ND1-CH2 3.96Å; H425-W551 AromaticContact ND1-CZ3 3.44Å; H425-W551 WeakPolarHBondContact ND1-CZ3 3.15Å
426	N	94.1	Very high	97.4	Very high	11 Å²	11	14.7 Å²	14.7	6%	0.059	8%	0.075	C	C	.	.	I	π-helix	trans	-91.5	-30.2	-170.6	-66.7	-79	0	0	0	113.4	T258 L315 I422	T258-N426 WeakPolarHBondContact CG2-O 3.11Å; T258-N426 PolarHBondContact OG1-O 2.63Å; L315-N426 HydrophobicContact CD1-CB 4.17Å; I422-N426 VanDerWaalsContact O-CB 3.28Å; I422-N426 WeakPolarHBondContact O-CB 3.41Å; I422-N426 PolarHBondContact O-N 2.93Å; I422-N426 VanDerWaalsContact O-N 3.08Å; I422-N426 PolarHBondContact O-ND2 3.3Å
427	I	97.1	Very high	97.4	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.005	6%	0.064	C	C	.	.	I	π-helix	trans	-124.8	-60.4	-170.1	-53.5	-58	0	0	0	112.2	W260 V350 E354 G423 A431	W260-I427 HydrophobicContact CZ2-CD1 3.93Å; V350-I427 HydrophobicContact CB-CG2 4.36Å; V350-I427 HydrophobicContact CG1-CG2 3.84Å; E354-I427 HydrophobicContact CB-CB 4.15Å; E354-I427 HydrophobicContact CB-CG1 4.17Å; E354-I427 HydrophobicContact CB-CG2 4.49Å; E354-I427 HydrophobicContact CG-CB 4.07Å; E354-I427 HydrophobicContact CG-CG1 4.48Å; E354-I427 HydrophobicContact CG-CG2 3.9Å; E354-I427 WeakPolarHBondContact OE1-CG2 3.46Å; G423-I427 WeakPolarHBondContact O-CA 3.14Å; G423-I427 PolarHBondContact O-N 2.8Å; I427-A431 VanDerWaalsContact O-CB 3.26Å; I427-A431 WeakPolarHBondContact O-CB 3.43Å; I427-A431 PolarHBondContact O-N 3.23Å; I427-A431 VanDerWaalsContact O-N 3.11Å
428	I	98.7	Very high	97.4	Very high	2 Å²	2	12.3 Å²	12.3	1%	0.01	6%	0.062	C	C	.	.	I	π-helix	trans	-68	-52.5	-165.8	-56.9	175	0	0	0	111.9	V350 E354 G423 D424 A431 L432 L543 R544	V350-I428 HydrophobicContact CB-CG1 4.18Å; V350-I428 HydrophobicContact CG2-CB 4.34Å; V350-I428 HydrophobicContact CG2-CG1 3.86Å; V350-I428 HydrophobicContact CG2-CG2 4.1Å; E354-I428 HydrophobicContact CG-CD1 4.39Å; E354-I428 HydrophobicContact CG-CG1 4.11Å; G423-I428 PolarHBondContact O-N 3.09Å; D424-I428 WeakPolarHBondContact OD1-CD1 3.36Å; I428-A431 PolarHBondContact O-N 3.3Å; I428-L432 HydrophobicContact CG2-CD1 3.86Å; I428-L432 WeakPolarHBondContact O-CG 3.21Å; I428-L432 PolarHBondContact O-N 3.13Å; I428-L543 HydrophobicContact CG2-CD2 4.21Å; I428-L543 HydrophobicContact CG2-CG 4.5Å; I428-R544 HydrophobicContact CG2-CB 4.35Å; I428-R544 HydrophobicContact CG2-CG 4.03Å
429	C	98.6	Very high	97.4	Very high	1 Å²	1	13.1 Å²	13.1	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-70.1	-40.7	-176.4	-61.7	0	0	0	0	113.6	D424 A431 L432 E433 C548	D424-C429 WeakPolarHBondContact O-CB 3.38Å; D424-C429 PolarHBondContact O-N 2.83Å; D424-C429 PolarHBondContact O-SG 2.94Å; C429-A431 PolarHBondContact O-N 3.36Å; C429-L432 PolarHBondContact O-N 3.01Å; C429-E433 WeakPolarHBondContact O-CB 3.33Å; C429-E433 PolarHBondContact O-N 3.15Å; C429-C548 WeakPolarHBondContact CA-SG 3.2Å; C429-C548 HydrophobicContact CB-CB 3.69Å; C429-C548 WeakPolarHBondContact CB-SG 3.25Å; C429-C548 WeakPolarHBondContact SG-CA 3.46Å; C429-C548 WeakPolarHBondContact SG-CB 3.45Å; C429-C548 CovalentContact SG-SG 2.05Å; C429-C548 PolarHBondContact SG-SG 2.93Å
430	P	97.6	Very high	97.4	Very high	10 Å²	10	16.8 Å²	16.8	7%	0.065	9%	0.088	C	C	.	.	H	α-helix	trans	-59	-42.7	170.9	-26.7	35.3	0	0	0	113.4	S255 N257 T258 D424 H425 E433 F434	S255-P430 PolarHBondContact OG-O 2.56Å; N257-P430 PolarHBondContact ND2-O 3.41Å; N257-P430 PolarHBondContact OD1-O 3.26Å; T258-P430 WeakPolarHBondContact OG1-CB 3.45Å; D424-P430 WeakPolarHBondContact O-CD 3.25Å; H425-P430 WeakPolarHBondContact O-CD 3.44Å; H425-P430 VanDerWaalsContact O-CG 3.28Å; H425-P430 WeakPolarHBondContact O-CG 3.28Å; P430-E433 PolarHBondContact O-N 2.93Å; P430-F434 WeakPolarHBondContact O-CB 3.42Å; P430-F434 PolarHBondContact O-N 3.31Å
431	A	98.6	Very high	97.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-64.4	-41	178.4	0	0	0	0	0	112.2	V348 V350 I427 I428 C429 T435 F447	V348-A431 HydrophobicContact CG1-CB 4.15Å; V350-A431 HydrophobicContact CG1-CB 3.78Å; I427-A431 VanDerWaalsContact O-CB 3.26Å; I427-A431 WeakPolarHBondContact O-CB 3.43Å; I427-A431 PolarHBondContact O-N 3.23Å; I427-A431 VanDerWaalsContact O-N 3.11Å; I428-A431 PolarHBondContact O-N 3.3Å; C429-A431 PolarHBondContact O-N 3.36Å; A431-T435 WeakPolarHBondContact O-CB 3.11Å; A431-T435 PolarHBondContact O-N 3.08Å; A431-T435 PolarHBondContact O-OG1 2.87Å; A431-F447 HydrophobicContact CB-CE2 4.31Å; A431-F447 HydrophobicContact CB-CZ 4.4Å
432	L	98.5	Very high	97	Very high	9 Å²	9	26.1 Å²	26.1	5%	0.047	13%	0.131	C	C	.	.	H	α-helix	trans	-65.2	-43.6	174.8	-75.4	167	0	0	0	112	I428 C429 T435 K436 F447 F522 L543	I428-L432 HydrophobicContact CG2-CD1 3.86Å; I428-L432 WeakPolarHBondContact O-CG 3.21Å; I428-L432 PolarHBondContact O-N 3.13Å; C429-L432 PolarHBondContact O-N 3.01Å; L432-T435 PolarHBondContact O-N 3.38Å; L432-K436 WeakPolarHBondContact O-CB 3.32Å; L432-K436 PolarHBondContact O-N 3.08Å; L432-F447 HydrophobicContact CD2-CD1 4.3Å; L432-F447 HydrophobicContact CD2-CD2 4.21Å; L432-F447 HydrophobicContact CD2-CE1 3.92Å; L432-F447 HydrophobicContact CD2-CE2 3.79Å; L432-F447 HydrophobicContact CD2-CG 4.44Å; L432-F447 HydrophobicContact CD2-CZ 3.64Å; L432-F447 HydrophobicContact CG-CE1 4.49Å; L432-F447 HydrophobicContact CG-CE2 4.17Å; L432-F447 HydrophobicContact CG-CZ 3.88Å; L432-F522 HydrophobicContact CD2-CE2 4.17Å; L432-L543 HydrophobicContact CD1-CB 4.16Å; L432-L543 HydrophobicContact CD1-CD2 4.34Å; L432-L543 HydrophobicContact CD1-CG 4.28Å; L432-L543 WeakPolarHBondContact CD1-O 3.48Å; L432-L543 HydrophobicContact CD2-CB 4.26Å; L432-L543 HydrophobicContact CD2-CD2 4.47Å
433	E	97.4	Very high	97	Very high	48 Å²	48	26.8 Å²	26.8	22%	0.224	14%	0.135	C	C	.	.	H	α-helix	trans	-63.7	-46.1	177.7	-172.6	60.7	-156.9	0	0	111	C429 P430 T435 K436 T437 N552	C429-E433 WeakPolarHBondContact O-CB 3.33Å; C429-E433 PolarHBondContact O-N 3.15Å; P430-E433 PolarHBondContact O-N 2.93Å; E433-T435 VanDerWaalsContact C-N 3.31Å; E433-T435 PolarHBondContact O-N 3.43Å; E433-K436 PolarHBondContact O-N 3.47Å; E433-T437 PolarHBondContact O-N 3.2Å; E433-T437 PolarHBondContact O-OG1 3.21Å; E433-T437 VanDerWaalsContact O-OG1 3.05Å; E433-N552 PolarHBondContact OE2-ND2 3.19Å; E433-N552 VanDerWaalsContact OE2-ND2 3.09Å
434	F	98.2	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55.6	-48.2	174.5	-178.5	-89	0	0	0	111.3	L237 L251 L336 I346 P430 K436 T437 F438	L237-F434 HydrophobicContact CD1-CZ 4.09Å; L251-F434 HydrophobicContact CD2-CD1 4.41Å; L251-F434 HydrophobicContact CD2-CE1 3.97Å; L251-F434 HydrophobicContact CD2-CZ 4.3Å; L336-F434 HydrophobicContact CD1-CD2 3.57Å; L336-F434 HydrophobicContact CD1-CE2 3.82Å; L336-F434 HydrophobicContact CD2-CD2 4.18Å; L336-F434 HydrophobicContact CD2-CE2 3.76Å; L336-F434 HydrophobicContact CD2-CZ 4.41Å; L336-F434 HydrophobicContact CG-CE2 4.37Å; I346-F434 HydrophobicContact CD1-CD1 4.26Å; I346-F434 HydrophobicContact CD1-CE1 3.9Å; P430-F434 WeakPolarHBondContact O-CB 3.42Å; P430-F434 PolarHBondContact O-N 3.31Å; F434-K436 VanDerWaalsContact C-N 3.32Å; F434-K436 PolarHBondContact O-N 3.28Å; F434-T437 PolarHBondContact O-N 2.79Å; F434-F438 HydrophobicContact CE1-CD2 4.41Å; F434-F438 HydrophobicContact CZ-CD2 4.38Å; F434-F438 WeakPolarHBondContact O-CB 3.44Å; F434-F438 PolarHBondContact O-N 2.72Å
435	T	98.4	Very high	96.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.8	-40.9	-179.5	-55	0	0	0	0	111.3	A431 L432 E433 S439 A445 F447 F522	A431-T435 WeakPolarHBondContact O-CB 3.11Å; A431-T435 PolarHBondContact O-N 3.08Å; A431-T435 PolarHBondContact O-OG1 2.87Å; L432-T435 PolarHBondContact O-N 3.38Å; E433-T435 VanDerWaalsContact C-N 3.31Å; E433-T435 PolarHBondContact O-N 3.43Å; T435-S439 VanDerWaalsContact O-CB 3.27Å; T435-S439 WeakPolarHBondContact O-CB 3.26Å; T435-S439 PolarHBondContact O-N 3.1Å; T435-A445 HydrophobicContact CG2-CB 3.72Å; T435-F447 HydrophobicContact CG2-CD2 3.97Å; T435-F447 WeakPolarHBondContact OG1-CD2 3.45Å; T435-F522 HydrophobicContact CG2-CB 4.18Å; T435-F522 HydrophobicContact CG2-CD1 3.59Å; T435-F522 HydrophobicContact CG2-CD2 4.18Å; T435-F522 HydrophobicContact CG2-CE1 3.93Å; T435-F522 HydrophobicContact CG2-CE2 4.45Å; T435-F522 HydrophobicContact CG2-CG 3.72Å; T435-F522 HydrophobicContact CG2-CZ 4.33Å
436	K	97.5	Very high	97	Very high	58 Å²	58	28.6 Å²	28.6	25%	0.252	15%	0.145	S	C	.	.	H	α-helix	trans	-63.9	-54.9	177.2	-177	-175.4	173.1	-167	0	111.5	L432 E433 F434 F438 S439 D440 F522	L432-K436 WeakPolarHBondContact O-CB 3.32Å; L432-K436 PolarHBondContact O-N 3.08Å; E433-K436 PolarHBondContact O-N 3.47Å; F434-K436 VanDerWaalsContact C-N 3.32Å; F434-K436 PolarHBondContact O-N 3.28Å; K436-F438 VanDerWaalsContact C-N 3.28Å; K436-F438 PolarHBondContact O-N 2.76Å; K436-S439 WeakPolarHBondContact O-CB 3.28Å; K436-S439 PolarHBondContact O-N 2.96Å; K436-S439 VanDerWaalsContact O-N 3.13Å; K436-D440 PolarHBondContact O-N 2.81Å; K436-F522 HydrophobicContact CB-CE1 4.19Å
437	T	96.4	Very high	97.3	Very high	27 Å²	27	28 Å²	28	17%	0.166	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-40.9	178.9	-47.6	0	0	0	0	111.3	L336 E433 F434 S439 D440 L441	L336-T437 HydrophobicContact CB-CG2 4.05Å; E433-T437 PolarHBondContact O-N 3.2Å; E433-T437 PolarHBondContact O-OG1 3.21Å; E433-T437 VanDerWaalsContact O-OG1 3.05Å; F434-T437 PolarHBondContact O-N 2.79Å; T437-S439 PolarHBondContact O-N 3.48Å; T437-D440 PolarHBondContact O-N 3.12Å; T437-L441 WeakPolarHBondContact O-CG 3.42Å; T437-L441 PolarHBondContact O-N 3.16Å
438	F	97	Very high	97.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-65.6	-38.5	177.7	-167.8	-89	0	0	0	112.6	L237 V341 T344 I346 F434 K436 L441 N443	L237-F438 HydrophobicContact CD1-CE2 4.29Å; V341-F438 HydrophobicContact CG1-CD2 4.35Å; V341-F438 HydrophobicContact CG1-CE2 4.26Å; V341-F438 HydrophobicContact CG2-CD2 3.96Å; V341-F438 HydrophobicContact CG2-CE2 3.63Å; T344-F438 HydrophobicContact CG2-CZ 4.38Å; T344-F438 VanDerWaalsContact O-CE1 3.31Å; T344-F438 WeakPolarHBondContact O-CE1 3.26Å; I346-F438 HydrophobicContact CB-CE1 4.21Å; I346-F438 HydrophobicContact CD1-CB 3.91Å; I346-F438 HydrophobicContact CD1-CD1 3.34Å; I346-F438 HydrophobicContact CD1-CD2 4.33Å; I346-F438 HydrophobicContact CD1-CE1 3.84Å; I346-F438 HydrophobicContact CD1-CG 3.61Å; I346-F438 HydrophobicContact CG1-CD1 3.65Å; I346-F438 HydrophobicContact CG1-CE1 3.72Å; I346-F438 HydrophobicContact CG1-CG 4.4Å; I346-F438 HydrophobicContact CG2-CD1 4.23Å; I346-F438 HydrophobicContact CG2-CE1 3.6Å; I346-F438 HydrophobicContact CG2-CE2 4.19Å; I346-F438 HydrophobicContact CG2-CZ 3.6Å; F434-F438 HydrophobicContact CE1-CD2 4.41Å; F434-F438 HydrophobicContact CZ-CD2 4.38Å; F434-F438 WeakPolarHBondContact O-CB 3.44Å; F434-F438 PolarHBondContact O-N 2.72Å; K436-F438 VanDerWaalsContact C-N 3.28Å; K436-F438 PolarHBondContact O-N 2.76Å; F438-L441 PolarHBondContact O-N 3.28Å; F438-N443 HydrophobicContact CD1-CB 3.52Å; F438-N443 HydrophobicContact CE1-CB 3.17Å; F438-N443 HydrophobicContact CZ-CB 3.93Å; F438-N443 PolarHBondContact O-ND2 3.33Å
439	S	96.6	Very high	97.3	Very high	17 Å²	17	28.7 Å²	28.7	12%	0.119	15%	0.145	C	C	.	.	H	α-helix	trans	-67.9	-35.5	175.3	178	0	0	0	0	112.7	T435 K436 T437 L441 E442 F522	T435-S439 VanDerWaalsContact O-CB 3.27Å; T435-S439 WeakPolarHBondContact O-CB 3.26Å; T435-S439 PolarHBondContact O-N 3.1Å; K436-S439 WeakPolarHBondContact O-CB 3.28Å; K436-S439 PolarHBondContact O-N 2.96Å; K436-S439 VanDerWaalsContact O-N 3.13Å; T437-S439 PolarHBondContact O-N 3.48Å; S439-L441 PolarHBondContact O-N 3.41Å; S439-E442 PolarHBondContact O-N 3.34Å; S439-E442 VanDerWaalsContact O-N 3.11Å; S439-F522 PolarHBondContact OG-O 3.08Å
440	D	96.7	Very high	97.3	Very high	86 Å²	86	28.7 Å²	28.7	46%	0.46	15%	0.145	S	C	.	.	H	α-helix	trans	-65.1	-20.2	177.1	-75.6	-32	0	0	0	112.3	K436 T437 E442 S524	K436-D440 PolarHBondContact O-N 2.81Å; T437-D440 PolarHBondContact O-N 3.12Å; D440-E442 PolarHBondContact O-N 3.16Å; D440-S524 WeakPolarHBondContact OD1-CB 3.41Å; D440-S524 PolarHBondContact OD1-OG 3.06Å
441	L	95.6	Very high	97.3	Very high	50 Å²	50	31.1 Å²	31.1	26%	0.262	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	20.7	172.8	-59.6	171.2	0	0	0	113.6	V341 T437 F438 S439 N443	V341-L441 HydrophobicContact CG1-CD1 3.52Å; T437-L441 WeakPolarHBondContact O-CG 3.42Å; T437-L441 PolarHBondContact O-N 3.16Å; F438-L441 PolarHBondContact O-N 3.28Å; S439-L441 PolarHBondContact O-N 3.41Å; L441-N443 VanDerWaalsContact C-N 3.27Å; L441-N443 PolarHBondContact O-N 2.92Å; L441-N443 PolarHBondContact O-ND2 2.96Å
442	E	93.3	Very high	97.3	Very high	186 Å²	186	32.2 Å²	32.2	87%	0.869	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	26	179.2	-54.4	-177.4	162.7	0	0	114.8	S439 D440	S439-E442 PolarHBondContact O-N 3.34Å; S439-E442 VanDerWaalsContact O-N 3.11Å; D440-E442 PolarHBondContact O-N 3.16Å
443	N	94.5	Very high	97.3	Very high	15 Å²	15	34.2 Å²	34.2	8%	0.08	17%	0.167	C	C	.	.			trans	-96.5	145	174.2	-61.9	-73.2	0	0	0	111.5	K343 T344 F438 L441 A445	K343-N443 WeakPolarHBondContact CA-OD1 3.34Å; T344-N443 PolarHBondContact N-OD1 3.15Å; T344-N443 VanDerWaalsContact N-OD1 3.14Å; T344-N443 WeakPolarHBondContact O-CB 3.39Å; T344-N443 PolarHBondContact O-OD1 3.02Å; F438-N443 HydrophobicContact CD1-CB 3.52Å; F438-N443 HydrophobicContact CE1-CB 3.17Å; F438-N443 HydrophobicContact CZ-CB 3.93Å; F438-N443 PolarHBondContact O-ND2 3.33Å; L441-N443 VanDerWaalsContact C-N 3.27Å; L441-N443 PolarHBondContact O-N 2.92Å; L441-N443 PolarHBondContact O-ND2 2.96Å; N443-A445 PolarHBondContact O-N 3.12Å
444	N	96.3	Very high	97.2	Very high	79 Å²	79	32.1 Å²	32.1	42%	0.422	16%	0.158	S	C	.	.			trans	-76	121.9	175	-66.4	-14.3	0	0	0	110.6	Q345 I346 F446 V521	Q345-N444 VanDerWaalsContact CA-O 3.28Å; Q345-N444 WeakPolarHBondContact CA-O 3.38Å; Q345-N444 HydrophobicContact CG-CB 4.04Å; I346-N444 PolarHBondContact N-O 3.4Å; I346-N444 VanDerWaalsContact N-O 3.07Å; N444-F446 HydrophobicContact CB-CE2 4.48Å; N444-V521 HydrophobicContact CB-CG1 4.49Å
445	A	98.1	Very high	97.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.6	173	0	0	0	0	0	111	I346 T435 N443 V521 F522	I346-A445 HydrophobicContact CD1-CB 4.04Å; I346-A445 HydrophobicContact CG1-CB 3.66Å; I346-A445 CarbonylContact O-C 3.59Å; I346-A445 WeakPolarHBondContact O-CA 3.49Å; T435-A445 HydrophobicContact CG2-CB 3.72Å; N443-A445 PolarHBondContact O-N 3.12Å; A445-V521 CarbonylContact O-C 3.26Å; A445-V521 WeakPolarHBondContact O-CA 3.4Å; A445-V521 WeakPolarHBondContact O-CG1 3.48Å; A445-F522 HydrophobicContact CB-CB 4.21Å; A445-F522 PolarHBondContact O-N 3.36Å
446	F	98.5	Very high	97	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.3	172.6	-60.1	-85.1	0	0	0	108.3	I346 L347 V348 N444 F503 G507 H508 P509 W519 P520 V521	I346-F446 PolarHBondContact O-N 3.03Å; L347-F446 CarbonylContact C-O 3.54Å; L347-F446 WeakPolarHBondContact CA-O 3.33Å; L347-F446 HydrophobicContact CG-CB 4.41Å; V348-F446 PolarHBondContact N-O 2.93Å; N444-F446 HydrophobicContact CB-CE2 4.48Å; F446-F503 HydrophobicContact CD2-CD2 4.1Å; F446-F503 AromaticContact CD2-CE2 3.99Å; F446-F503 HydrophobicContact CD2-CE2 3.99Å; F446-F503 HydrophobicContact CE2-CD2 4.34Å; F446-F503 HydrophobicContact CE2-CE2 4.28Å; F446-G507 WeakPolarHBondContact CE2-O 3.46Å; F446-H508 AromaticContact CE1-CE1 3.38Å; F446-H508 WeakPolarHBondContact CE1-CE1 3.25Å; F446-H508 AromaticContact CE1-ND1 3.71Å; F446-H508 AromaticContact CE1-NE2 3.7Å; F446-H508 HydrophobicContact CZ-CB 4.3Å; F446-H508 AromaticContact CZ-CD2 3.76Å; F446-H508 AromaticContact CZ-CE1 3.74Å; F446-H508 AromaticContact CZ-CG 3.72Å; F446-H508 AromaticContact CZ-ND1 3.73Å; F446-H508 AromaticContact CZ-NE2 3.79Å; F446-P509 HydrophobicContact CB-CG 4.11Å; F446-P509 HydrophobicContact CD1-CG 3.98Å; F446-P509 HydrophobicContact CD2-CG 4.07Å; F446-P509 HydrophobicContact CE1-CG 4.45Å; F446-P509 HydrophobicContact CG-CG 3.77Å; F446-W519 HydrophobicContact CB-CZ2 4.29Å; F446-W519 AromaticContact CD1-CD1 3.99Å; F446-W519 HydrophobicContact CD1-CG 4.42Å; F446-P520 WeakPolarHBondContact CD1-O 3.35Å; F446-V521 HydrophobicContact CE1-CB 4.48Å; F446-V521 HydrophobicContact CE1-CG2 3.72Å; F446-V521 HydrophobicContact CZ-CG2 3.92Å
447	F	98.8	Very high	96.8	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	136.7	-179.5	-155.7	-83.2	0	0	0	111.3	V348 V350 A431 L432 T435 W519 F522 Y529 L530 L543	V348-F447 HydrophobicContact CB-CD2 3.89Å; V348-F447 HydrophobicContact CB-CE2 4.09Å; V348-F447 HydrophobicContact CG1-CD2 4.07Å; V348-F447 HydrophobicContact CG1-CE2 3.72Å; V348-F447 CarbonylContact O-C 3.59Å; V348-F447 WeakPolarHBondContact O-CA 3.41Å; V350-F447 HydrophobicContact CG1-CZ 4.25Å; V350-F447 HydrophobicContact CG2-CE1 4.14Å; V350-F447 HydrophobicContact CG2-CZ 4.19Å; A431-F447 HydrophobicContact CB-CE2 4.31Å; A431-F447 HydrophobicContact CB-CZ 4.4Å; L432-F447 HydrophobicContact CD2-CD1 4.3Å; L432-F447 HydrophobicContact CD2-CD2 4.21Å; L432-F447 HydrophobicContact CD2-CE1 3.92Å; L432-F447 HydrophobicContact CD2-CE2 3.79Å; L432-F447 HydrophobicContact CD2-CG 4.44Å; L432-F447 HydrophobicContact CD2-CZ 3.64Å; L432-F447 HydrophobicContact CG-CE1 4.49Å; L432-F447 HydrophobicContact CG-CE2 4.17Å; L432-F447 HydrophobicContact CG-CZ 3.88Å; T435-F447 HydrophobicContact CG2-CD2 3.97Å; T435-F447 WeakPolarHBondContact OG1-CD2 3.45Å; F447-W519 PolarHBondContact O-NE1 2.9Å; F447-W519 VanDerWaalsContact O-NE1 3.12Å; F447-F522 HydrophobicContact CB-CB 4.49Å; F447-F522 HydrophobicContact CB-CD2 3.72Å; F447-F522 HydrophobicContact CB-CE2 4.37Å; F447-F522 HydrophobicContact CB-CG 4.44Å; F447-F522 HydrophobicContact CG-CD2 4.37Å; F447-Y529 VanDerWaalsContact O-CA 3.31Å; F447-Y529 WeakPolarHBondContact O-CA 3.44Å; F447-Y529 WeakPolarHBondContact O-CB 3.25Å; F447-L530 PolarHBondContact O-N 3.43Å; F447-L543 HydrophobicContact CD1-CD2 4.44Å; F447-L543 HydrophobicContact CE1-CD2 3.67Å; F447-L543 HydrophobicContact CZ-CD2 4.43Å
448	Y	98.7	Very high	96.7	Very high	1 Å²	1	39 Å²	39	0%	0.004	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	158.1	169.6	74.7	-94.3	0	0	0	112.8	Q252 L347 V348 G349 V350 L450 W500 W519 L530 L532	Q252-Y448 WeakPolarHBondContact CB-OH 3.26Å; Q252-Y448 WeakPolarHBondContact CG-OH 3.31Å; L347-Y448 HydrophobicContact CD2-CD1 3.58Å; L347-Y448 HydrophobicContact CD2-CE1 3.76Å; V348-Y448 VanDerWaalsContact O-CD1 3.25Å; V348-Y448 WeakPolarHBondContact O-CD1 3.41Å; V348-Y448 PolarHBondContact O-N 3.22Å; G349-Y448 VanDerWaalsContact CA-CE1 3.41Å; G349-Y448 WeakPolarHBondContact CA-O 3.26Å; V350-Y448 PolarHBondContact N-O 3.23Å; Y448-L450 HydrophobicContact CD2-CB 4.47Å; Y448-L450 HydrophobicContact CE2-CB 4.35Å; Y448-W500 AromaticContact CD1-CH2 3.74Å; Y448-W500 HydrophobicContact CD1-CH2 3.74Å; Y448-W500 HydrophobicContact CD1-CZ2 4.03Å; Y448-W500 AromaticContact CE1-CH2 3.73Å; Y448-W500 HydrophobicContact CE1-CH2 3.73Å; Y448-W500 AromaticContact CE1-CZ2 3.55Å; Y448-W500 HydrophobicContact CE1-CZ2 3.55Å; Y448-W500 HydrophobicContact CG-CH2 4.19Å; Y448-W500 AromaticContact CZ-CZ2 3.98Å; Y448-W519 HydrophobicContact CD1-CH2 4.3Å; Y448-W519 HydrophobicContact CD1-CZ2 4.44Å; Y448-W519 HydrophobicContact CG-CH2 4.48Å; Y448-L530 CarbonylContact C-O 3.42Å; Y448-L530 WeakPolarHBondContact CA-O 3.48Å; Y448-L532 HydrophobicContact CD2-CD1 3.76Å; Y448-L532 HydrophobicContact CG-CD1 3.78Å
449	Y	98.7	Very high	96.8	Very high	16 Å²	16	39.6 Å²	39.6	6%	0.063	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	115.8	169.1	-173.4	-126.6	0	0	0	109.2	V350 N351 K352 E451 Y529 L530 T531 L532 L543	V350-Y449 HydrophobicContact CG2-CD2 3.79Å; V350-Y449 HydrophobicContact CG2-CE2 4.15Å; V350-Y449 WeakPolarHBondContact O-CA 3.38Å; N351-Y449 WeakPolarHBondContact O-CE2 3.15Å; K352-Y449 WeakPolarHBondContact CA-OH 3.39Å; K352-Y449 HydrophobicContact CB-CE1 4.41Å; K352-Y449 HydrophobicContact CB-CE2 4.37Å; K352-Y449 HydrophobicContact CG-CE1 4.36Å; K352-Y449 VanDerWaalsContact CG-OH 3.28Å; K352-Y449 WeakPolarHBondContact CG-OH 3.44Å; Y449-E451 HydrophobicContact CD1-CG 3.61Å; Y449-E451 HydrophobicContact CE1-CG 3.67Å; Y449-E451 WeakPolarHBondContact CE1-OE1 3.43Å; Y449-Y529 HydrophobicContact CD1-CE2 4.29Å; Y449-Y529 HydrophobicContact CG-CE2 4.28Å; Y449-L530 PolarHBondContact N-O 3.03Å; Y449-T531 CarbonylContact O-C 3.59Å; Y449-T531 WeakPolarHBondContact O-CA 3.44Å; Y449-L532 PolarHBondContact O-N 3.43Å; Y449-L543 HydrophobicContact CD1-CD1 4.07Å; Y449-L543 HydrophobicContact CD2-CD1 4.08Å; Y449-L543 HydrophobicContact CD2-CD2 3.77Å; Y449-L543 HydrophobicContact CE1-CD1 4.08Å; Y449-L543 HydrophobicContact CE2-CD1 4.1Å; Y449-L543 HydrophobicContact CE2-CD2 4.25Å; Y449-L543 HydrophobicContact CG-CD1 4.04Å; Y449-L543 HydrophobicContact CG-CD2 4.13Å
450	L	98.4	Very high	96.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	122.2	179.1	-176.1	78.7	0	0	0	110.2	V350 N351 K352 Y448 H452 V465 E470 I496 L532	V350-L450 PolarHBondContact O-N 2.97Å; N351-L450 WeakPolarHBondContact OD1-CB 3.18Å; K352-L450 PolarHBondContact N-O 3.21Å; Y448-L450 HydrophobicContact CD2-CB 4.47Å; Y448-L450 HydrophobicContact CE2-CB 4.35Å; L450-H452 HydrophobicContact CD1-CB 4.43Å; L450-V465 HydrophobicContact CD2-CG1 3.71Å; L450-V465 HydrophobicContact CG-CG1 4.04Å; L450-E470 HydrophobicContact CD2-CB 3.4Å; L450-E470 HydrophobicContact CG-CB 4.46Å; L450-I496 HydrophobicContact CD1-CD1 4.43Å; L450-L532 HydrophobicContact CD1-CB 3.87Å
451	E	97.5	Very high	96.9	Very high	60 Å²	60	42.9 Å²	42.9	28%	0.28	22%	0.216	S	C	.	.			trans	-115.3	7.1	178.3	-69.1	-175.3	162.1	0	0	113.1	Y449 T531 L532 N533 R538	Y449-E451 HydrophobicContact CD1-CG 3.61Å; Y449-E451 HydrophobicContact CE1-CG 3.67Å; Y449-E451 WeakPolarHBondContact CE1-OE1 3.43Å; E451-T531 HydrophobicContact CB-CG2 4.21Å; E451-T531 VanDerWaalsContact CD-CG2 3.45Å; E451-T531 HydrophobicContact CG-CG2 3.83Å; E451-T531 WeakPolarHBondContact OE2-CG2 3.32Å; E451-L532 PolarHBondContact N-O 3.33Å; E451-N533 HydrophobicContact CB-CB 4.37Å; E451-R538 IonicContact OE2-NH2 3.61Å; E451-R538 PolarHBondContact OE2-NH2 3.28Å
452	H	98	Very high	96.9	Very high	24 Å²	24	41.7 Å²	41.7	11%	0.111	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-98.9	116.1	-177.7	-178.3	77.3	0	0	0	112.4	L450 V465 F473 E489 L492 N533 T534	L450-H452 HydrophobicContact CD1-CB 4.43Å; H452-V465 WeakPolarHBondContact O-CG1 3.05Å; H452-F473 AromaticContact CD2-CE1 3.96Å; H452-F473 AromaticContact CD2-CZ 3.5Å; H452-F473 VanDerWaalsContact CD2-CZ 3.5Å; H452-F473 WeakPolarHBondContact CD2-CZ 3.27Å; H452-F473 AromaticContact NE2-CZ 3.95Å; H452-E489 IonicContact CE1-OE1 3.7Å; H452-E489 VanDerWaalsContact NE2-CG 3.31Å; H452-E489 WeakPolarHBondContact NE2-CG 3.27Å; H452-E489 IonicContact NE2-OE1 3.56Å; H452-E489 PolarHBondContact NE2-OE1 3.49Å; H452-L492 HydrophobicContact CB-CD2 3.76Å; H452-N533 HydrophobicContact CB-CB 4.09Å; H452-T534 WeakPolarHBondContact CE1-CG2 3.26Å; H452-T534 VanDerWaalsContact ND1-CG2 3.31Å; H452-T534 WeakPolarHBondContact ND1-CG2 3.46Å; H452-T534 PolarHBondContact ND1-OG1 3.49Å; H452-T534 VanDerWaalsContact ND1-OG1 3.14Å
453	R	97.8	Very high	97.2	Very high	51 Å²	51	32.9 Å²	32.9	19%	0.192	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-79.9	125.4	169.4	-177	173.3	-172.3	-86.2	5.6	109.8	S455 V457 W459 P460 E461 G464 V465	R453-S455 PolarHBondContact O-N 3.27Å; R453-V457 HydrophobicContact CG-CG1 3.98Å; R453-W459 PolarHBondContact NH2-O 3.45Å; R453-P460 VanDerWaalsContact NH2-C 3.35Å; R453-P460 PolarHBondContact NH2-O 2.95Å; R453-P460 VanDerWaalsContact NH2-O 3.13Å; R453-E461 VanDerWaalsContact CZ-CD 3.41Å; R453-E461 IonicContact CZ-OE1 3.8Å; R453-E461 VanDerWaalsContact CZ-OE1 3.26Å; R453-E461 IonicContact CZ-OE2 3.28Å; R453-E461 VanDerWaalsContact CZ-OE2 3.26Å; R453-E461 IonicContact NE-OE2 2.94Å; R453-E461 IonicContact NH1-OE1 3.28Å; R453-E461 PolarHBondContact NH1-OE1 3.46Å; R453-E461 IonicContact NH1-OE2 2.74Å; R453-E461 PolarHBondContact NH1-OE2 2.81Å; R453-E461 IonicContact NH2-OE1 2.7Å; R453-E461 PolarHBondContact NH2-OE1 3.11Å; R453-E461 IonicContact NH2-OE2 3.15Å; R453-G464 VanDerWaalsContact CD-O 3.32Å; R453-G464 WeakPolarHBondContact CD-O 3.47Å; R453-G464 WeakPolarHBondContact CG-O 3.45Å; R453-G464 PolarHBondContact NE-O 2.88Å; R453-V465 HydrophobicContact CB-CG2 4.17Å
454	S	96.9	Very high	97.4	Very high	4 Å²	4	32.8 Å²	32.8	3%	0.028	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-60.1	135	176.7	-177.3	0	0	0	0	111.7	K456 V457 E472 E489	S454-K456 PolarHBondContact O-N 2.89Å; S454-K456 VanDerWaalsContact O-N 3.14Å; S454-K456 PolarHBondContact OG-N 3.2Å; S454-V457 VanDerWaalsContact O-CG1 3.29Å; S454-V457 WeakPolarHBondContact O-CG1 2.94Å; S454-V457 PolarHBondContact O-N 3.28Å; S454-E472 WeakPolarHBondContact CB-OE1 2.84Å; S454-E472 PolarHBondContact OG-OE1 2.9Å; S454-E489 WeakPolarHBondContact CA-OE1 3.39Å
455	S	96.6	Very high	97.5	Very high	64 Å²	64	29.3 Å²	29.3	45%	0.448	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-8.9	172.8	69.9	0	0	0	0	113.2	R453 E489	R453-S455 PolarHBondContact O-N 3.27Å; S455-E489 WeakPolarHBondContact CB-OE1 3.18Å; S455-E489 PolarHBondContact N-OE1 2.74Å; S455-E489 VanDerWaalsContact OG-CD 3.31Å; S455-E489 PolarHBondContact OG-OE1 2.94Å; S455-E489 PolarHBondContact OG-OE2 3.47Å
456	K	94.3	Very high	97.5	Very high	93 Å²	93	29.7 Å²	29.7	40%	0.404	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-0.5	-178.4	-56.3	-59	-67.1	-178.1	0	113.2	S454 P458 S483 Y485	S454-K456 PolarHBondContact O-N 2.89Å; S454-K456 VanDerWaalsContact O-N 3.14Å; S454-K456 PolarHBondContact OG-N 3.2Å; K456-P458 WeakPolarHBondContact O-CD 3.46Å; K456-S483 WeakPolarHBondContact CE-O 3.31Å; K456-Y485 HydrophobicContact CB-CD1 4.42Å; K456-Y485 HydrophobicContact CB-CE1 3.86Å; K456-Y485 HydrophobicContact CG-CD1 3.59Å; K456-Y485 HydrophobicContact CG-CD2 4.22Å; K456-Y485 HydrophobicContact CG-CE1 3.5Å; K456-Y485 VanDerWaalsContact CG-CE1 3.5Å; K456-Y485 HydrophobicContact CG-CE2 4.13Å; K456-Y485 HydrophobicContact CG-CG 3.96Å
457	V	93.6	Very high	97.5	Very high	18 Å²	18	31 Å²	31	11%	0.109	16%	0.159	C	C	.	.			trans	-62.5	127.2	178.8	73.6	0	0	0	0	109.3	R453 S454 W459 M466 Y469	R453-V457 HydrophobicContact CG-CG1 3.98Å; S454-V457 VanDerWaalsContact O-CG1 3.29Å; S454-V457 WeakPolarHBondContact O-CG1 2.94Å; S454-V457 PolarHBondContact O-N 3.28Å; V457-W459 VanDerWaalsContact C-N 3.3Å; V457-W459 HydrophobicContact CG2-CB 4.06Å; V457-W459 HydrophobicContact CG2-CG 4.37Å; V457-M466 HydrophobicContact CG2-SD 4.43Å; V457-Y469 HydrophobicContact CB-CD1 4.42Å; V457-Y469 HydrophobicContact CB-CE1 4.35Å; V457-Y469 HydrophobicContact CG2-CD1 3.85Å; V457-Y469 HydrophobicContact CG2-CE1 3.57Å; V457-Y469 HydrophobicContact CG2-CG 4.45Å
458	P	95.2	Very high	97.4	Very high	54 Å²	54	31.2 Å²	31.2	35%	0.351	16%	0.161	S	C	.	.			trans	-83.9	-8.5	-178.1	33.5	-36.8	0	0	0	113	F105 K456	F105-P458 HydrophobicContact CE2-CB 3.83Å; F105-P458 HydrophobicContact CE2-CG 4.35Å; F105-P458 WeakPolarHBondContact CE2-O 3.27Å; F105-P458 HydrophobicContact CZ-CB 4Å; F105-P458 HydrophobicContact CZ-CG 4.1Å; F105-P458 WeakPolarHBondContact CZ-O 3.38Å; K456-P458 WeakPolarHBondContact O-CD 3.46Å
459	W	97.9	Very high	97.4	Very high	12 Å²	12	31.8 Å²	31.8	5%	0.045	16%	0.163	C	C	.	.	S	Bend	trans	-76.1	155.8	178.2	-65.3	94.4	0	0	0	111.8	F102 F105 G107 V360 Y361 K368 R453 V457 M463 M466 Y469	F102-W459 AromaticContact CD2-CH2 3.93Å; F102-W459 HydrophobicContact CD2-CH2 3.93Å; F102-W459 HydrophobicContact CD2-CZ3 4.31Å; F102-W459 AromaticContact CE2-CH2 3.82Å; F102-W459 HydrophobicContact CE2-CH2 3.82Å; F102-W459 AromaticContact CE2-CZ3 3.99Å; F102-W459 HydrophobicContact CE2-CZ3 3.99Å; F105-W459 HydrophobicContact CD1-CH2 4.37Å; F105-W459 HydrophobicContact CD1-CZ2 4.36Å; F105-W459 AromaticContact CE1-CD2 3.59Å; F105-W459 HydrophobicContact CE1-CD2 3.59Å; F105-W459 AromaticContact CE1-CE2 3.54Å; F105-W459 AromaticContact CE1-CE3 3.68Å; F105-W459 HydrophobicContact CE1-CE3 3.68Å; F105-W459 HydrophobicContact CE1-CG 4.29Å; F105-W459 AromaticContact CE1-CH2 3.8Å; F105-W459 HydrophobicContact CE1-CH2 3.8Å; F105-W459 AromaticContact CE1-CZ2 3.67Å; F105-W459 HydrophobicContact CE1-CZ2 3.67Å; F105-W459 AromaticContact CE1-CZ3 3.77Å; F105-W459 HydrophobicContact CE1-CZ3 3.77Å; F105-W459 AromaticContact CZ-CD2 3.85Å; F105-W459 HydrophobicContact CZ-CD2 3.85Å; F105-W459 HydrophobicContact CZ-CE3 4.06Å; F105-W459 HydrophobicContact CZ-CG 4.12Å; G107-W459 PolarHBondContact O-NE1 2.89Å; G107-W459 VanDerWaalsContact O-NE1 3.12Å; V360-W459 HydrophobicContact CG2-CH2 4.15Å; V360-W459 HydrophobicContact CG2-CZ3 3.8Å; Y361-W459 HydrophobicContact CE2-CH2 4.36Å; K368-W459 HydrophobicContact CB-CE3 4.05Å; K368-W459 HydrophobicContact CB-CZ3 3.94Å; R453-W459 PolarHBondContact NH2-O 3.45Å; V457-W459 VanDerWaalsContact C-N 3.3Å; V457-W459 HydrophobicContact CG2-CB 4.06Å; V457-W459 HydrophobicContact CG2-CG 4.37Å; W459-M463 HydrophobicContact CB-SD 3.83Å; W459-M463 HydrophobicContact CD2-CE 4.2Å; W459-M463 HydrophobicContact CD2-SD 3.93Å; W459-M463 HydrophobicContact CE3-CE 3.74Å; W459-M463 HydrophobicContact CE3-SD 3.37Å; W459-M463 HydrophobicContact CG-SD 4.17Å; W459-M463 HydrophobicContact CZ3-CE 4.14Å; W459-M463 HydrophobicContact CZ3-SD 4.19Å; W459-M466 HydrophobicContact CB-CE 4.47Å; W459-M466 HydrophobicContact CB-SD 3.5Å; W459-M466 WeakPolarHBondContact CB-SD 3.28Å; W459-M466 VanDerWaalsContact CD1-SD 3.53Å; W459-M466 HydrophobicContact CD2-CE 3.81Å; W459-M466 HydrophobicContact CD2-SD 4.03Å; W459-M466 HydrophobicContact CE3-CE 4.47Å; W459-M466 HydrophobicContact CG-CE 3.82Å; W459-M466 HydrophobicContact CG-SD 3.4Å; W459-M466 HydrophobicContact CZ2-CE 4.44Å; W459-Y469 AromaticContact CD1-CZ 3.66Å; W459-Y469 AromaticContact NE1-CZ 3.74Å; W459-Y469 PolarHBondContact NE1-OH 3.31Å
460	P	97.8	Very high	97.4	Very high	28 Å²	28	31.2 Å²	31.2	18%	0.182	16%	0.161	C	C	.	.			trans	-61.8	160.8	179.2	26.3	-36.6	0	0	0	113.1	K368 R453 W462 M463	K368-P460 WeakPolarHBondContact O-CD 3.4Å; K368-P460 WeakPolarHBondContact O-CG 3.45Å; R453-P460 VanDerWaalsContact NH2-C 3.35Å; R453-P460 PolarHBondContact NH2-O 2.95Å; R453-P460 VanDerWaalsContact NH2-O 3.13Å; P460-W462 VanDerWaalsContact C-N 3.3Å; P460-W462 PolarHBondContact O-N 3.24Å; P460-M463 HydrophobicContact CG-CG 3.97Å; P460-M463 HydrophobicContact CG-SD 3.77Å; P460-M463 PolarHBondContact O-N 3.05Å
461	E	97.6	Very high	97.4	Very high	144 Å²	144	31.1 Å²	31.1	67%	0.673	16%	0.161	S	C	*	.	G	3₁₀ helix	trans	-62.1	-35	-175.2	-68.3	-59.8	139	0	0	113.1	R453 M463 G464	R453-E461 VanDerWaalsContact CZ-CD 3.41Å; R453-E461 IonicContact CZ-OE1 3.8Å; R453-E461 VanDerWaalsContact CZ-OE1 3.26Å; R453-E461 IonicContact CZ-OE2 3.28Å; R453-E461 VanDerWaalsContact CZ-OE2 3.26Å; R453-E461 IonicContact NE-OE2 2.94Å; R453-E461 IonicContact NH1-OE1 3.28Å; R453-E461 PolarHBondContact NH1-OE1 3.46Å; R453-E461 IonicContact NH1-OE2 2.74Å; R453-E461 PolarHBondContact NH1-OE2 2.81Å; R453-E461 IonicContact NH2-OE1 2.7Å; R453-E461 PolarHBondContact NH2-OE1 3.11Å; R453-E461 IonicContact NH2-OE2 3.15Å; E461-M463 PolarHBondContact O-N 3.42Å; E461-M463 VanDerWaalsContact O-N 3.09Å; E461-G464 PolarHBondContact O-N 3.31Å
462	W	97.5	Very high	97.4	Very high	25 Å²	25	28.8 Å²	28.8	10%	0.095	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-61.5	-20.9	-179.1	73	-101.2	0	0	0	113.4	T356 V360 F366 S367 N370 S372 R415 P460 G464	T356-W462 HydrophobicContact CG2-CZ3 4.24Å; V360-W462 HydrophobicContact CG1-CH2 3.69Å; V360-W462 HydrophobicContact CG1-CZ2 3.57Å; F366-W462 AromaticContact CD1-CH2 3.52Å; F366-W462 HydrophobicContact CD1-CH2 3.52Å; F366-W462 HydrophobicContact CD1-CZ2 4.2Å; F366-W462 AromaticContact CD1-CZ3 3.83Å; F366-W462 HydrophobicContact CD1-CZ3 3.83Å; F366-W462 HydrophobicContact CE1-CH2 4.11Å; F366-W462 AromaticContact CE1-CZ3 3.92Å; F366-W462 HydrophobicContact CE1-CZ3 3.92Å; S367-W462 PolarHBondContact O-NE1 2.93Å; N370-W462 PolarHBondContact O-NE1 3.42Å; S372-W462 VanDerWaalsContact OG-CE2 3.28Å; S372-W462 WeakPolarHBondContact OG-CZ2 3.44Å; S372-W462 PolarHBondContact OG-NE1 3.39Å; R415-W462 HydrophobicContact CG-CE3 4.24Å; P460-W462 VanDerWaalsContact C-N 3.3Å; P460-W462 PolarHBondContact O-N 3.24Å; W462-G464 VanDerWaalsContact C-N 3.26Å; W462-G464 PolarHBondContact O-N 3.46Å
463	M	98.3	Very high	97.5	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.005	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-79.5	-6.5	179.2	-62.9	-177.5	81.2	0	0	113.6	T356 V360 W459 P460 E461 V465 M466	T356-M463 WeakPolarHBondContact O-CE 3.24Å; T356-M463 PolarHBondContact OG1-O 3.21Å; V360-M463 HydrophobicContact CG1-CE 3.93Å; V360-M463 HydrophobicContact CG1-SD 4.23Å; V360-M463 HydrophobicContact CG2-CE 4.09Å; W459-M463 HydrophobicContact CB-SD 3.83Å; W459-M463 HydrophobicContact CD2-CE 4.2Å; W459-M463 HydrophobicContact CD2-SD 3.93Å; W459-M463 HydrophobicContact CE3-CE 3.74Å; W459-M463 HydrophobicContact CE3-SD 3.37Å; W459-M463 HydrophobicContact CG-SD 4.17Å; W459-M463 HydrophobicContact CZ3-CE 4.14Å; W459-M463 HydrophobicContact CZ3-SD 4.19Å; P460-M463 HydrophobicContact CG-CG 3.97Å; P460-M463 HydrophobicContact CG-SD 3.77Å; P460-M463 PolarHBondContact O-N 3.05Å; E461-M463 PolarHBondContact O-N 3.42Å; E461-M463 VanDerWaalsContact O-N 3.09Å; M463-V465 PolarHBondContact O-N 3.28Å; M463-M466 HydrophobicContact CB-CG 3.81Å; M463-M466 HydrophobicContact CB-SD 3.73Å; M463-M466 HydrophobicContact CE-CE 3.37Å; M463-M466 HydrophobicContact CE-SD 3.9Å; M463-M466 WeakPolarHBondContact O-CG 3.3Å; M463-M466 HydrophobicContact SD-CE 4.31Å; M463-M466 HydrophobicContact SD-SD 4.16Å
464	G	98.1	Very high	97.5	Very high	14 Å²	14	25.2 Å²	25.2	14%	0.144	14%	0.135	C	C	.	.			trans	57.2	-136.3	169.6	0	0	0	0	0	114.7	D353 R453 E461 W462 M466	D353-G464 WeakPolarHBondContact OD2-CA 3.23Å; R453-G464 VanDerWaalsContact CD-O 3.32Å; R453-G464 WeakPolarHBondContact CD-O 3.47Å; R453-G464 WeakPolarHBondContact CG-O 3.45Å; R453-G464 PolarHBondContact NE-O 2.88Å; E461-G464 PolarHBondContact O-N 3.31Å; W462-G464 VanDerWaalsContact C-N 3.26Å; W462-G464 PolarHBondContact O-N 3.46Å; G464-M466 PolarHBondContact O-N 3.42Å
465	V	98.4	Very high	97.6	Very high	6 Å²	6	25.2 Å²	25.2	4%	0.036	14%	0.135	C	C	.	.	S	Bend	trans	-95.3	79.3	179.7	-165.6	0	0	0	0	109.2	N351 K352 D353 L450 H452 R453 M463	N351-V465 HydrophobicContact CB-CG1 4.23Å; N351-V465 WeakPolarHBondContact CB-O 3.47Å; K352-V465 HydrophobicContact CB-CB 3.97Å; K352-V465 HydrophobicContact CB-CG2 4.06Å; D353-V465 PolarHBondContact N-O 3.07Å; D353-V465 VanDerWaalsContact N-O 3.12Å; D353-V465 PolarHBondContact OD2-N 3.12Å; L450-V465 HydrophobicContact CD2-CG1 3.71Å; L450-V465 HydrophobicContact CG-CG1 4.04Å; H452-V465 WeakPolarHBondContact O-CG1 3.05Å; R453-V465 HydrophobicContact CB-CG2 4.17Å; M463-V465 PolarHBondContact O-N 3.28Å
466	M	98.2	Very high	97.7	Very high	8 Å²	8	22.1 Å²	22.1	4%	0.039	11%	0.113	C	C	.	.	B	Isolated β-bridge	trans	-62.9	157.4	-173	-63.5	177.1	62.5	0	0	114.4	N351 V457 W459 M463 G464 G468 Y469	N351-M466 PolarHBondContact ND2-O 2.87Å; V457-M466 HydrophobicContact CG2-SD 4.43Å; W459-M466 HydrophobicContact CB-CE 4.47Å; W459-M466 HydrophobicContact CB-SD 3.5Å; W459-M466 WeakPolarHBondContact CB-SD 3.28Å; W459-M466 VanDerWaalsContact CD1-SD 3.53Å; W459-M466 HydrophobicContact CD2-CE 3.81Å; W459-M466 HydrophobicContact CD2-SD 4.03Å; W459-M466 HydrophobicContact CE3-CE 4.47Å; W459-M466 HydrophobicContact CG-CE 3.82Å; W459-M466 HydrophobicContact CG-SD 3.4Å; W459-M466 HydrophobicContact CZ2-CE 4.44Å; M463-M466 HydrophobicContact CB-CG 3.81Å; M463-M466 HydrophobicContact CB-SD 3.73Å; M463-M466 HydrophobicContact CE-CE 3.37Å; M463-M466 HydrophobicContact CE-SD 3.9Å; M463-M466 WeakPolarHBondContact O-CG 3.3Å; M463-M466 HydrophobicContact SD-CE 4.31Å; M463-M466 HydrophobicContact SD-SD 4.16Å; G464-M466 PolarHBondContact O-N 3.42Å; M466-G468 PolarHBondContact O-N 2.88Å; M466-Y469 HydrophobicContact CB-CD2 3.56Å; M466-Y469 HydrophobicContact CB-CE2 4.05Å; M466-Y469 HydrophobicContact CB-CG 4.39Å; M466-Y469 HydrophobicContact CE-CE2 4.13Å; M466-Y469 PolarHBondContact O-N 2.8Å; M466-Y469 HydrophobicContact SD-CD2 4.49Å; M466-Y469 HydrophobicContact SD-CE2 4.13Å
467	H	98.5	Very high	97.8	Very high	28 Å²	28	19.4 Å²	19.4	13%	0.13	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	132	166.3	-170.7	74.8	0	0	0	112.5	E226 S227 E354 F358 Y469	E226-H467 IonicContact OE1-CD2 3.01Å; E226-H467 PolarHBondContact OE1-CD2 2.83Å; E226-H467 IonicContact OE1-CE1 2.7Å; E226-H467 PolarHBondContact OE1-CE1 3.12Å; E226-H467 IonicContact OE1-CG 3.89Å; E226-H467 IonicContact OE1-ND1 3.54Å; E226-H467 IonicContact OE1-NE2 3.67Å; E226-H467 PolarHBondContact OE1-NE2 3.46Å; S227-H467 WeakPolarHBondContact CB-NE2 3.48Å; S227-H467 PolarHBondContact OG-NE2 2.93Å; E354-H467 WeakPolarHBondContact OE2-CA 3.43Å; E354-H467 WeakPolarHBondContact OE2-CB 3.41Å; E354-H467 IonicContact OE2-CE1 3.67Å; E354-H467 IonicContact OE2-CG 3.46Å; E354-H467 IonicContact OE2-ND1 3.47Å; E354-H467 PolarHBondContact OE2-ND1 2.99Å; F358-H467 HydrophobicContact CE2-CB 4.42Å; F358-H467 HydrophobicContact CZ-CB 4.3Å; F358-H467 AromaticContact CZ-CD2 3.68Å; F358-H467 AromaticContact CZ-CG 3.9Å; F358-H467 AromaticContact CZ-NE2 3.98Å; H467-Y469 VanDerWaalsContact C-N 3.28Å; H467-Y469 WeakPolarHBondContact O-CD2 3.43Å; H467-Y469 PolarHBondContact O-N 3.37Å
468	G	97.9	Very high	98	Very high	3 Å²	3	18.8 Å²	18.8	3%	0.031	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-8	177.3	0	0	0	0	0	116.7	E226 M466 E470 I471	E226-G468 VanDerWaalsContact OE1-CA 3.29Å; E226-G468 WeakPolarHBondContact OE1-CA 3.5Å; E226-G468 PolarHBondContact OE1-N 2.95Å; M466-G468 PolarHBondContact O-N 2.88Å; G468-E470 VanDerWaalsContact C-N 3.27Å; G468-E470 VanDerWaalsContact C-OE2 3.22Å; G468-E470 WeakPolarHBondContact CA-OE2 3.45Å; G468-E470 PolarHBondContact N-OE2 3.36Å; G468-E470 PolarHBondContact O-N 3.28Å; G468-I471 VanDerWaalsContact O-CB 3.31Å; G468-I471 WeakPolarHBondContact O-CB 3.35Å; G468-I471 VanDerWaalsContact O-CD1 3.32Å; G468-I471 WeakPolarHBondContact O-CD1 3.4Å; G468-I471 WeakPolarHBondContact O-CG1 3.46Å; G468-I471 PolarHBondContact O-N 3.33Å
469	Y	98.1	Very high	98.1	Very high	14 Å²	14	16.4 Å²	16.4	6%	0.055	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-1.1	-178.4	-80.8	-93	0	0	0	114.4	G107 M110 W111 V457 W459 M466 H467 I471 E472 F473	G107-Y469 PolarHBondContact O-OH 3.43Å; M110-Y469 HydrophobicContact SD-CE1 4.24Å; W111-Y469 HydrophobicContact CZ2-CE2 4.16Å; V457-Y469 HydrophobicContact CB-CD1 4.42Å; V457-Y469 HydrophobicContact CB-CE1 4.35Å; V457-Y469 HydrophobicContact CG2-CD1 3.85Å; V457-Y469 HydrophobicContact CG2-CE1 3.57Å; V457-Y469 HydrophobicContact CG2-CG 4.45Å; W459-Y469 AromaticContact CD1-CZ 3.66Å; W459-Y469 AromaticContact NE1-CZ 3.74Å; W459-Y469 PolarHBondContact NE1-OH 3.31Å; M466-Y469 HydrophobicContact CB-CD2 3.56Å; M466-Y469 HydrophobicContact CB-CE2 4.05Å; M466-Y469 HydrophobicContact CB-CG 4.39Å; M466-Y469 HydrophobicContact CE-CE2 4.13Å; M466-Y469 PolarHBondContact O-N 2.8Å; M466-Y469 HydrophobicContact SD-CD2 4.49Å; M466-Y469 HydrophobicContact SD-CE2 4.13Å; H467-Y469 VanDerWaalsContact C-N 3.28Å; H467-Y469 WeakPolarHBondContact O-CD2 3.43Å; H467-Y469 PolarHBondContact O-N 3.37Å; Y469-I471 VanDerWaalsContact C-N 3.34Å; Y469-E472 WeakPolarHBondContact O-CG 3.48Å; Y469-F473 WeakPolarHBondContact O-CD2 3.37Å
470	E	98.6	Very high	97.8	Very high	3 Å²	3	18.4 Å²	18.4	1%	0.014	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-23.9	167.6	85	-68.7	173.8	0	0	112.5	E226 Q252 N351 L450 G468 E472 F473 V474	E226-E470 WeakPolarHBondContact CG-OE1 3.37Å; Q252-E470 VanDerWaalsContact CB-OE1 3.26Å; Q252-E470 WeakPolarHBondContact CB-OE1 3.5Å; Q252-E470 PolarHBondContact NE2-OE1 2.93Å; N351-E470 PolarHBondContact ND2-OE2 2.94Å; L450-E470 HydrophobicContact CD2-CB 3.4Å; L450-E470 HydrophobicContact CG-CB 4.46Å; G468-E470 VanDerWaalsContact C-N 3.27Å; G468-E470 VanDerWaalsContact C-OE2 3.22Å; G468-E470 WeakPolarHBondContact CA-OE2 3.45Å; G468-E470 PolarHBondContact N-OE2 3.36Å; G468-E470 PolarHBondContact O-N 3.28Å; E470-E472 VanDerWaalsContact C-N 3.31Å; E470-E472 PolarHBondContact O-N 2.69Å; E470-F473 WeakPolarHBondContact O-CB 3.41Å; E470-F473 PolarHBondContact O-N 3.03Å; E470-V474 PolarHBondContact O-N 3.4Å; E470-V474 VanDerWaalsContact O-N 3.12Å
471	I	98.8	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-55.7	-44.8	-174.7	-63.5	174.5	0	0	0	111.2	W111 W141 V156 Y157 E226 G468 Y469 F473 V474 F475	W111-I471 HydrophobicContact CH2-CD1 4.13Å; W111-I471 HydrophobicContact CZ3-CD1 4.09Å; W141-I471 HydrophobicContact CH2-CD1 4.21Å; W141-I471 HydrophobicContact CH2-CG1 4.23Å; W141-I471 HydrophobicContact CH2-CG2 4.47Å; W141-I471 HydrophobicContact CZ2-CD1 4.29Å; W141-I471 HydrophobicContact CZ2-CG2 4.49Å; V156-I471 HydrophobicContact CB-CG2 4.31Å; Y157-I471 HydrophobicContact CD1-CG2 3.64Å; Y157-I471 HydrophobicContact CE1-CD1 3.86Å; Y157-I471 HydrophobicContact CE1-CG2 3.59Å; E226-I471 HydrophobicContact CB-CD1 3.84Å; E226-I471 HydrophobicContact CB-CG1 4.09Å; E226-I471 HydrophobicContact CG-CD1 3.67Å; E226-I471 HydrophobicContact CG-CG1 3.9Å; G468-I471 VanDerWaalsContact O-CB 3.31Å; G468-I471 WeakPolarHBondContact O-CB 3.35Å; G468-I471 VanDerWaalsContact O-CD1 3.32Å; G468-I471 WeakPolarHBondContact O-CD1 3.4Å; G468-I471 WeakPolarHBondContact O-CG1 3.46Å; G468-I471 PolarHBondContact O-N 3.33Å; Y469-I471 VanDerWaalsContact C-N 3.34Å; I471-F473 PolarHBondContact O-N 3.37Å; I471-V474 WeakPolarHBondContact O-CB 3.36Å; I471-V474 PolarHBondContact O-N 3.47Å; I471-F475 HydrophobicContact CG2-CD2 3.69Å; I471-F475 HydrophobicContact CG2-CE2 4Å; I471-F475 WeakPolarHBondContact O-CD2 3.47Å; I471-F475 PolarHBondContact O-N 3.11Å
472	E	97.8	Very high	96.6	Very high	10 Å²	10	31.4 Å²	31.4	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-33.6	-178.9	60.2	174.9	-149.6	0	0	112.4	S454 Y469 E470 G476 L477 P478 Y485	S454-E472 WeakPolarHBondContact CB-OE1 2.84Å; S454-E472 PolarHBondContact OG-OE1 2.9Å; Y469-E472 WeakPolarHBondContact O-CG 3.48Å; E470-E472 VanDerWaalsContact C-N 3.31Å; E470-E472 PolarHBondContact O-N 2.69Å; E472-G476 PolarHBondContact O-N 3.36Å; E472-G476 VanDerWaalsContact O-N 3.15Å; E472-L477 HydrophobicContact CB-CB 4.06Å; E472-L477 HydrophobicContact CB-CD2 4.08Å; E472-L477 PolarHBondContact O-N 3.34Å; E472-P478 VanDerWaalsContact O-CD 3.23Å; E472-P478 WeakPolarHBondContact O-CD 3.09Å; E472-Y485 VanDerWaalsContact CD-OH 3.27Å; E472-Y485 WeakPolarHBondContact OE1-CE1 3.19Å; E472-Y485 PolarHBondContact OE2-OH 2.99Å
473	F	98.6	Very high	96.1	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-73.8	-38.4	175.4	-61.7	-85.2	0	0	0	111.9	H452 Y469 E470 I471 G476 P478 E489 L492 S493 I496	H452-F473 AromaticContact CD2-CE1 3.96Å; H452-F473 AromaticContact CD2-CZ 3.5Å; H452-F473 VanDerWaalsContact CD2-CZ 3.5Å; H452-F473 WeakPolarHBondContact CD2-CZ 3.27Å; H452-F473 AromaticContact NE2-CZ 3.95Å; Y469-F473 WeakPolarHBondContact O-CD2 3.37Å; E470-F473 WeakPolarHBondContact O-CB 3.41Å; E470-F473 PolarHBondContact O-N 3.03Å; I471-F473 PolarHBondContact O-N 3.37Å; F473-G476 PolarHBondContact O-N 3.01Å; F473-P478 HydrophobicContact CD1-CG 3.88Å; F473-P478 HydrophobicContact CE1-CG 4.01Å; F473-E489 HydrophobicContact CE1-CB 3.92Å; F473-E489 HydrophobicContact CE1-CG 3.91Å; F473-E489 HydrophobicContact CZ-CG 4.33Å; F473-L492 HydrophobicContact CD1-CD2 4.07Å; F473-L492 HydrophobicContact CD1-CG 4.17Å; F473-L492 HydrophobicContact CE1-CD2 4.06Å; F473-S493 PolarHBondContact O-OG 3.21Å; F473-I496 HydrophobicContact CB-CD1 3.83Å
474	V	98.8	Very high	95.6	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	17%	0.172	C	C	.	.	H	α-helix	trans	-64.6	-42.5	176.8	175.2	0	0	0	0	111.5	F224 E470 I471 I496 M497 W500	F224-V474 HydrophobicContact CD2-CG1 4.44Å; F224-V474 HydrophobicContact CE2-CG1 4.21Å; E470-V474 PolarHBondContact O-N 3.4Å; E470-V474 VanDerWaalsContact O-N 3.12Å; I471-V474 WeakPolarHBondContact O-CB 3.36Å; I471-V474 PolarHBondContact O-N 3.47Å; V474-I496 HydrophobicContact CB-CG2 4.3Å; V474-I496 HydrophobicContact CG2-CG2 3.66Å; V474-M497 WeakPolarHBondContact O-CG 3.06Å; V474-W500 HydrophobicContact CG1-CG 4.3Å; V474-W500 HydrophobicContact CG2-CZ2 4Å
475	F	98.8	Very high	95.5	Very high	3 Å²	3	39 Å²	39	1%	0.013	17%	0.172	C	C	.	.	H	α-helix	trans	-82.9	-11.3	-179	-83	-93.7	0	0	0	114	W141 V156 Y157 F161 F224 I471	W141-F475 HydrophobicContact CB-CZ 4.15Å; W141-F475 AromaticContact CD2-CE2 3.88Å; W141-F475 HydrophobicContact CD2-CE2 3.88Å; W141-F475 AromaticContact CD2-CZ 3.57Å; W141-F475 HydrophobicContact CD2-CZ 3.57Å; W141-F475 AromaticContact CE3-CE2 3.83Å; W141-F475 HydrophobicContact CE3-CE2 3.83Å; W141-F475 AromaticContact CE3-CZ 3.81Å; W141-F475 HydrophobicContact CE3-CZ 3.81Å; W141-F475 HydrophobicContact CG-CE2 4.5Å; W141-F475 AromaticContact CG-CZ 3.73Å; W141-F475 HydrophobicContact CG-CZ 3.73Å; W141-F475 HydrophobicContact CH2-CE2 4.08Å; W141-F475 HydrophobicContact CZ2-CE2 4.19Å; W141-F475 AromaticContact CZ3-CE2 3.91Å; W141-F475 HydrophobicContact CZ3-CE2 3.91Å; W141-F475 HydrophobicContact CZ3-CZ 4.37Å; V156-F475 VanDerWaalsContact O-CB 3.25Å; V156-F475 WeakPolarHBondContact O-CB 3.28Å; V156-F475 VanDerWaalsContact O-CG 3.27Å; V156-F475 WeakPolarHBondContact O-CG 3.35Å; Y157-F475 VanDerWaalsContact C-CD1 3.43Å; Y157-F475 HydrophobicContact CD1-CE2 4.26Å; Y157-F475 WeakPolarHBondContact O-CD1 3.37Å; Y157-F475 WeakPolarHBondContact O-CE1 3.15Å; F161-F475 WeakPolarHBondContact CB-O 3.38Å; F224-F475 HydrophobicContact CE2-CE1 4.44Å; F224-F475 AromaticContact CE2-CE2 3.75Å; F224-F475 HydrophobicContact CE2-CE2 3.75Å; F224-F475 AromaticContact CE2-CZ 3.61Å; F224-F475 HydrophobicContact CE2-CZ 3.61Å; F224-F475 HydrophobicContact CZ-CE1 4.18Å; F224-F475 HydrophobicContact CZ-CE2 4.26Å; F224-F475 AromaticContact CZ-CZ 3.63Å; F224-F475 HydrophobicContact CZ-CZ 3.63Å; I471-F475 HydrophobicContact CG2-CD2 3.69Å; I471-F475 HydrophobicContact CG2-CE2 4Å; I471-F475 WeakPolarHBondContact O-CD2 3.47Å; I471-F475 PolarHBondContact O-N 3.11Å
476	G	98.2	Very high	95.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	20.7	174.2	0	0	0	0	0	114.7	E472 F473 P478 L479 S493 M497	E472-G476 PolarHBondContact O-N 3.36Å; E472-G476 VanDerWaalsContact O-N 3.15Å; F473-G476 PolarHBondContact O-N 3.01Å; G476-P478 VanDerWaalsContact C-N 3.33Å; G476-L479 WeakPolarHBondContact O-CB 3.33Å; G476-L479 PolarHBondContact O-N 2.87Å; G476-S493 WeakPolarHBondContact CA-OG 3.49Å; G476-M497 WeakPolarHBondContact CA-SD 3.49Å
477	L	96.9	Very high	95.3	Very high	35 Å²	35	48.5 Å²	48.5	18%	0.183	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-59.5	-36.5	-179.4	-169.3	61.4	0	0	0	112.9	V156 E472 L479 E480 Y485	V156-L477 HydrophobicContact CG1-CD2 4.4Å; E472-L477 HydrophobicContact CB-CB 4.06Å; E472-L477 HydrophobicContact CB-CD2 4.08Å; E472-L477 PolarHBondContact O-N 3.34Å; L477-L479 PolarHBondContact O-N 3.05Å; L477-E480 WeakPolarHBondContact O-CB 3.2Å; L477-E480 PolarHBondContact O-N 3.34Å; L477-Y485 HydrophobicContact CD2-CE2 4.5Å; L477-Y485 HydrophobicContact CG-CE2 4.13Å
478	P	97.8	Very high	95.2	Very high	6 Å²	6	48.9 Å²	48.9	4%	0.039	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-60.4	-12.8	172.6	-28.7	38.1	0	0	0	116	E472 F473 G476 E480 Y485 E489	E472-P478 VanDerWaalsContact O-CD 3.23Å; E472-P478 WeakPolarHBondContact O-CD 3.09Å; F473-P478 HydrophobicContact CD1-CG 3.88Å; F473-P478 HydrophobicContact CE1-CG 4.01Å; G476-P478 VanDerWaalsContact C-N 3.33Å; P478-E480 VanDerWaalsContact C-N 3.3Å; P478-Y485 HydrophobicContact CB-CD1 4.09Å; P478-Y485 HydrophobicContact CB-CD2 4.19Å; P478-Y485 HydrophobicContact CB-CG 3.82Å; P478-Y485 HydrophobicContact CG-CD1 3.85Å; P478-Y485 HydrophobicContact CG-CD2 4.36Å; P478-Y485 HydrophobicContact CG-CE1 4Å; P478-Y485 HydrophobicContact CG-CE2 4.49Å; P478-Y485 HydrophobicContact CG-CG 4.03Å; P478-E489 HydrophobicContact CB-CB 4.37Å
479	L	96.7	Very high	95.2	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.016	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-81.1	-13.1	174.3	-72.1	62.8	0	0	0	112.2	L50 V165 G476 L477 R481 E490 S493 R494 M497	L50-L479 HydrophobicContact CD1-CB 4.18Å; L50-L479 HydrophobicContact CD1-CD2 3.86Å; L50-L479 HydrophobicContact CD2-CB 4.32Å; L50-L479 WeakPolarHBondContact CD2-O 3.17Å; V165-L479 HydrophobicContact CG2-CD2 3.68Å; G476-L479 WeakPolarHBondContact O-CB 3.33Å; G476-L479 PolarHBondContact O-N 2.87Å; L477-L479 PolarHBondContact O-N 3.05Å; L479-R481 PolarHBondContact O-N 2.89Å; L479-E490 HydrophobicContact CD1-CG 4.25Å; L479-E490 HydrophobicContact CG-CG 4.17Å; L479-S493 WeakPolarHBondContact CD1-OG 3.4Å; L479-R494 HydrophobicContact CD1-CG 3.98Å; L479-R494 HydrophobicContact CD2-CG 4.07Å; L479-R494 HydrophobicContact CG-CG 4.15Å; L479-M497 HydrophobicContact CD1-SD 4.02Å; L479-M497 HydrophobicContact CD2-CE 4.43Å; L479-M497 HydrophobicContact CD2-SD 3.98Å
480	E	92.9	Very high	95.2	Very high	54 Å²	54	49.9 Å²	49.9	25%	0.252	23%	0.226	S	C	.	.			trans	-73.3	107.2	173.8	-177.5	50.4	-106.4	0	0	110.1	F161 L477 P478 R482 S483	F161-E480 HydrophobicContact CE1-CB 4.38Å; F161-E480 HydrophobicContact CZ-CB 3.84Å; F161-E480 HydrophobicContact CZ-CG 4.43Å; L477-E480 WeakPolarHBondContact O-CB 3.2Å; L477-E480 PolarHBondContact O-N 3.34Å; P478-E480 VanDerWaalsContact C-N 3.3Å; E480-R482 HydrophobicContact CG-CB 4.34Å; E480-R482 PolarHBondContact O-N 2.91Å; E480-R482 VanDerWaalsContact O-N 3.08Å; E480-R482 PolarHBondContact OE1-N 2.9Å; E480-S483 WeakPolarHBondContact CG-OG 3.43Å; E480-S483 PolarHBondContact O-N 3.22Å
481	R	83.6	Confident	95.1	Very high	225 Å²	225	54.7 Å²	54.7	85%	0.849	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-59.3	-26.5	-176.1	-68.1	-175.4	178.4	-178.7	-1.2	113	L479 S483	L479-R481 PolarHBondContact O-N 2.89Å; R481-S483 VanDerWaalsContact C-N 3.32Å
482	R	86.4	Confident	95	Very high	221 Å²	221	55.3 Å²	55.3	83%	0.834	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-78.5	-14.3	-179.9	-63.4	179.5	179.4	-179.8	0.1	113.6	E480	E480-R482 HydrophobicContact CG-CB 4.34Å; E480-R482 PolarHBondContact O-N 2.91Å; E480-R482 VanDerWaalsContact O-N 3.08Å; E480-R482 PolarHBondContact OE1-N 2.9Å
483	S	85.8	Confident	95	Very high	37 Å²	37	54.8 Å²	54.8	26%	0.259	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-86.9	-3.4	-175.9	-58.2	0	0	0	0	113.8	K456 E480 R481 Y485	K456-S483 WeakPolarHBondContact CE-O 3.31Å; E480-S483 WeakPolarHBondContact CG-OG 3.43Å; E480-S483 PolarHBondContact O-N 3.22Å; R481-S483 VanDerWaalsContact C-N 3.32Å; S483-Y485 VanDerWaalsContact C-N 3.32Å; S483-Y485 PolarHBondContact O-N 3.48Å
484	N	88.6	Confident	95	Very high	124 Å²	124	59 Å²	59	66%	0.663	27%	0.267	S	S	*	.			trans	54.8	36.6	174.2	-64.4	-24.3	0	0	0	115.1
485	Y	96.5	Very high	94.8	Very high	37 Å²	37	61.6 Å²	61.6	15%	0.145	29%	0.285	C	S	.	.			trans	-69.9	158.7	166.6	-74	-92.9	0	0	0	111	K456 E472 L477 P478 S483 E489	K456-Y485 HydrophobicContact CB-CD1 4.42Å; K456-Y485 HydrophobicContact CB-CE1 3.86Å; K456-Y485 HydrophobicContact CG-CD1 3.59Å; K456-Y485 HydrophobicContact CG-CD2 4.22Å; K456-Y485 HydrophobicContact CG-CE1 3.5Å; K456-Y485 VanDerWaalsContact CG-CE1 3.5Å; K456-Y485 HydrophobicContact CG-CE2 4.13Å; K456-Y485 HydrophobicContact CG-CG 3.96Å; E472-Y485 VanDerWaalsContact CD-OH 3.27Å; E472-Y485 WeakPolarHBondContact OE1-CE1 3.19Å; E472-Y485 PolarHBondContact OE2-OH 2.99Å; L477-Y485 HydrophobicContact CD2-CE2 4.5Å; L477-Y485 HydrophobicContact CG-CE2 4.13Å; P478-Y485 HydrophobicContact CB-CD1 4.09Å; P478-Y485 HydrophobicContact CB-CD2 4.19Å; P478-Y485 HydrophobicContact CB-CG 3.82Å; P478-Y485 HydrophobicContact CG-CD1 3.85Å; P478-Y485 HydrophobicContact CG-CD2 4.36Å; P478-Y485 HydrophobicContact CG-CE1 4Å; P478-Y485 HydrophobicContact CG-CE2 4.49Å; P478-Y485 HydrophobicContact CG-CG 4.03Å; S483-Y485 VanDerWaalsContact C-N 3.32Å; S483-Y485 PolarHBondContact O-N 3.48Å; Y485-E489 HydrophobicContact CD1-CB 4.36Å
486	T	97	Very high	94.8	Very high	63 Å²	63	61.5 Å²	61.5	39%	0.387	29%	0.285	S	S	.	.			trans	-70.3	158.3	175.4	67.8	0	0	0	0	111.5	A488 E489 E490	T486-A488 PolarHBondContact O-N 3.41Å; T486-E489 WeakPolarHBondContact CB-OE2 3.38Å; T486-E489 WeakPolarHBondContact CG2-OE2 3.4Å; T486-E489 PolarHBondContact N-OE2 3.3Å; T486-E489 PolarHBondContact O-N 3.06Å; T486-E489 WeakPolarHBondContact OG1-CB 3.31Å; T486-E489 VanDerWaalsContact OG1-CD 3.27Å; T486-E489 WeakPolarHBondContact OG1-CG 3.4Å; T486-E489 PolarHBondContact OG1-N 2.96Å; T486-E489 PolarHBondContact OG1-OE2 3.41Å; T486-E490 PolarHBondContact O-N 3.39Å
487	R	95.8	Very high	94.8	Very high	152 Å²	152	61.5 Å²	61.5	57%	0.574	29%	0.285	S	S	*	.	H	α-helix	trans	-61.9	-33.6	174.5	-178.4	57.8	-178.8	173.5	4.6	112.3	E489 E490 M491	R487-E489 VanDerWaalsContact C-N 3.35Å; R487-E490 IonicContact CZ-OE2 3.39Å; R487-E490 IonicContact NH1-OE1 3.82Å; R487-E490 PolarHBondContact NH1-OE1 3.12Å; R487-E490 IonicContact NH1-OE2 3.67Å; R487-E490 PolarHBondContact NH1-OE2 3.13Å; R487-E490 PolarHBondContact O-N 3.31Å; R487-M491 WeakPolarHBondContact O-CG 3.3Å; R487-M491 PolarHBondContact O-N 2.85Å; R487-M491 VanDerWaalsContact O-N 3.11Å
488	A	96.6	Very high	94.9	Very high	36 Å²	36	64 Å²	64	30%	0.298	29%	0.294	S	S	.	.	H	α-helix	trans	-64	-41.7	176.7	0	0	0	0	0	111.2	T486 M491 L492 T534	T486-A488 PolarHBondContact O-N 3.41Å; A488-M491 WeakPolarHBondContact O-CB 3.39Å; A488-M491 PolarHBondContact O-N 3.18Å; A488-L492 PolarHBondContact O-N 2.05Å; A488-T534 HydrophobicContact CB-CG2 3.74Å
489	E	97.8	Very high	94.8	Very high	1 Å²	1	64.4 Å²	64.4	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-68.3	-37.5	176.6	-73.7	167.3	142.6	0	0	113.1	H452 S454 S455 F473 P478 Y485 T486 R487 M491 L492 S493 T534	H452-E489 IonicContact CE1-OE1 3.7Å; H452-E489 VanDerWaalsContact NE2-CG 3.31Å; H452-E489 WeakPolarHBondContact NE2-CG 3.27Å; H452-E489 IonicContact NE2-OE1 3.56Å; H452-E489 PolarHBondContact NE2-OE1 3.49Å; S454-E489 WeakPolarHBondContact CA-OE1 3.39Å; S455-E489 WeakPolarHBondContact CB-OE1 3.18Å; S455-E489 PolarHBondContact N-OE1 2.74Å; S455-E489 VanDerWaalsContact OG-CD 3.31Å; S455-E489 PolarHBondContact OG-OE1 2.94Å; S455-E489 PolarHBondContact OG-OE2 3.47Å; F473-E489 HydrophobicContact CE1-CB 3.92Å; F473-E489 HydrophobicContact CE1-CG 3.91Å; F473-E489 HydrophobicContact CZ-CG 4.33Å; P478-E489 HydrophobicContact CB-CB 4.37Å; Y485-E489 HydrophobicContact CD1-CB 4.36Å; T486-E489 WeakPolarHBondContact CB-OE2 3.38Å; T486-E489 WeakPolarHBondContact CG2-OE2 3.4Å; T486-E489 PolarHBondContact N-OE2 3.3Å; T486-E489 PolarHBondContact O-N 3.06Å; T486-E489 WeakPolarHBondContact OG1-CB 3.31Å; T486-E489 VanDerWaalsContact OG1-CD 3.27Å; T486-E489 WeakPolarHBondContact OG1-CG 3.4Å; T486-E489 PolarHBondContact OG1-N 2.96Å; T486-E489 PolarHBondContact OG1-OE2 3.41Å; R487-E489 VanDerWaalsContact C-N 3.35Å; E489-M491 VanDerWaalsContact C-N 3.27Å; E489-M491 PolarHBondContact O-N 2.84Å; E489-L492 PolarHBondContact O-N 3.28Å; E489-S493 VanDerWaalsContact O-CB 3.29Å; E489-S493 WeakPolarHBondContact O-CB 3.47Å; E489-S493 PolarHBondContact O-N 3.33Å; E489-T534 HydrophobicContact CG-CG2 4.21Å
490	E	97.3	Very high	94.9	Very high	37 Å²	37	64.3 Å²	64.3	17%	0.173	30%	0.295	C	S	.	.	H	α-helix	trans	-59.4	-42	171	-168.3	-164.5	149	0	0	110.8	L479 T486 R487 R494	L479-E490 HydrophobicContact CD1-CG 4.25Å; L479-E490 HydrophobicContact CG-CG 4.17Å; T486-E490 PolarHBondContact O-N 3.39Å; R487-E490 IonicContact CZ-OE2 3.39Å; R487-E490 IonicContact NH1-OE1 3.82Å; R487-E490 PolarHBondContact NH1-OE1 3.12Å; R487-E490 IonicContact NH1-OE2 3.67Å; R487-E490 PolarHBondContact NH1-OE2 3.13Å; R487-E490 PolarHBondContact O-N 3.31Å; E490-R494 WeakPolarHBondContact O-CB 3.36Å; E490-R494 VanDerWaalsContact O-CG 3.24Å; E490-R494 WeakPolarHBondContact O-CG 3.41Å; E490-R494 PolarHBondContact O-N 3.46Å; E490-R494 IonicContact OE1-CZ 2.69Å; E490-R494 VanDerWaalsContact OE1-CZ 3.3Å; E490-R494 IonicContact OE1-NE 3.42Å; E490-R494 PolarHBondContact OE1-NE 2.69Å; E490-R494 IonicContact OE1-NH2 3.62Å; E490-R494 PolarHBondContact OE1-NH2 3.04Å
491	M	96.4	Very high	95.2	Very high	104 Å²	104	61.8 Å²	61.8	51%	0.512	28%	0.283	S	S	.	.	H	α-helix	trans	-68.2	-42.7	177.4	-69.1	-172.2	-59.1	0	0	112.3	R487 A488 E489 R494 S495	R487-M491 WeakPolarHBondContact O-CG 3.3Å; R487-M491 PolarHBondContact O-N 2.85Å; R487-M491 VanDerWaalsContact O-N 3.11Å; A488-M491 WeakPolarHBondContact O-CB 3.39Å; A488-M491 PolarHBondContact O-N 3.18Å; E489-M491 VanDerWaalsContact C-N 3.27Å; E489-M491 PolarHBondContact O-N 2.84Å; M491-R494 PolarHBondContact O-N 3.46Å; M491-S495 PolarHBondContact O-N 2.91Å
492	L	96.8	Very high	95.9	Very high	12 Å²	12	51.7 Å²	51.7	6%	0.063	25%	0.246	C	C	.	.	H	α-helix	trans	-58.7	-50.5	174.5	173.9	57	0	0	0	110.8	H452 F473 A488 E489 R494 S495 I496 N533 T534	H452-L492 HydrophobicContact CB-CD2 3.76Å; F473-L492 HydrophobicContact CD1-CD2 4.07Å; F473-L492 HydrophobicContact CD1-CG 4.17Å; F473-L492 HydrophobicContact CE1-CD2 4.06Å; A488-L492 PolarHBondContact O-N 2.05Å; E489-L492 PolarHBondContact O-N 3.28Å; L492-R494 PolarHBondContact O-N 3.41Å; L492-S495 WeakPolarHBondContact O-CA 3.1Å; L492-S495 WeakPolarHBondContact O-CB 3.48Å; L492-S495 PolarHBondContact O-N 3.49Å; L492-S495 VanDerWaalsContact O-N 3.07Å; L492-I496 HydrophobicContact CD1-CD1 3.69Å; L492-I496 HydrophobicContact CD1-CG1 4.02Å; L492-I496 HydrophobicContact CG-CD1 3.9Å; L492-I496 WeakPolarHBondContact O-CG1 3.28Å; L492-I496 PolarHBondContact O-N 3.01Å; L492-N533 WeakPolarHBondContact CD1-O 3.44Å; L492-T534 HydrophobicContact CB-CG2 4.19Å; L492-T534 HydrophobicContact CD2-CG2 4.01Å
493	S	98.3	Very high	96.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-59.9	-45.1	178.8	176.8	0	0	0	0	111.8	F473 G476 L479 E489 S495 I496 M497	F473-S493 PolarHBondContact O-OG 3.21Å; G476-S493 WeakPolarHBondContact CA-OG 3.49Å; L479-S493 WeakPolarHBondContact CD1-OG 3.4Å; E489-S493 VanDerWaalsContact O-CB 3.29Å; E489-S493 WeakPolarHBondContact O-CB 3.47Å; E489-S493 PolarHBondContact O-N 3.33Å; S493-S495 VanDerWaalsContact C-N 3.28Å; S493-S495 PolarHBondContact O-N 2.99Å; S493-I496 PolarHBondContact O-N 3.13Å; S493-M497 WeakPolarHBondContact O-CB 3.46Å; S493-M497 WeakPolarHBondContact O-CG 3.49Å; S493-M497 PolarHBondContact O-N 3.42Å
494	R	97.6	Very high	97.1	Very high	88 Å²	88	39.4 Å²	39.4	33%	0.332	19%	0.194	S	C	.	.	H	α-helix	trans	-57.7	-40.4	173.7	-74.5	176.4	-175.2	-67.6	-3.9	112.5	L479 E490 M491 L492 K498	L479-R494 HydrophobicContact CD1-CG 3.98Å; L479-R494 HydrophobicContact CD2-CG 4.07Å; L479-R494 HydrophobicContact CG-CG 4.15Å; E490-R494 WeakPolarHBondContact O-CB 3.36Å; E490-R494 VanDerWaalsContact O-CG 3.24Å; E490-R494 WeakPolarHBondContact O-CG 3.41Å; E490-R494 PolarHBondContact O-N 3.46Å; E490-R494 IonicContact OE1-CZ 2.69Å; E490-R494 VanDerWaalsContact OE1-CZ 3.3Å; E490-R494 IonicContact OE1-NE 3.42Å; E490-R494 PolarHBondContact OE1-NE 2.69Å; E490-R494 IonicContact OE1-NH2 3.62Å; E490-R494 PolarHBondContact OE1-NH2 3.04Å; M491-R494 PolarHBondContact O-N 3.46Å; L492-R494 PolarHBondContact O-N 3.41Å; R494-K498 VanDerWaalsContact O-CB 3.26Å; R494-K498 WeakPolarHBondContact O-CB 3.21Å; R494-K498 PolarHBondContact O-N 2.69Å; R494-K498 VanDerWaalsContact O-N 3.09Å
495	S	96.1	Very high	97.6	Very high	55 Å²	55	35.7 Å²	35.7	39%	0.385	17%	0.172	S	C	.	.	H	α-helix	trans	-64.8	-48.8	176.7	-170.8	0	0	0	0	111.4	M491 L492 S493 K498 L499	M491-S495 PolarHBondContact O-N 2.91Å; L492-S495 WeakPolarHBondContact O-CA 3.1Å; L492-S495 WeakPolarHBondContact O-CB 3.48Å; L492-S495 PolarHBondContact O-N 3.49Å; L492-S495 VanDerWaalsContact O-N 3.07Å; S493-S495 VanDerWaalsContact C-N 3.28Å; S493-S495 PolarHBondContact O-N 2.99Å; S495-K498 WeakPolarHBondContact O-CB 3.42Å; S495-K498 PolarHBondContact O-N 3.12Å; S495-L499 VanDerWaalsContact O-CG 3.27Å; S495-L499 WeakPolarHBondContact O-CG 3.49Å; S495-L499 PolarHBondContact O-N 3.3Å
496	I	97.8	Very high	97.6	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-52.4	178.3	-71.8	175.8	0	0	0	110.8	L450 F473 V474 L492 S493 K498 L499 W500 L532	L450-I496 HydrophobicContact CD1-CD1 4.43Å; F473-I496 HydrophobicContact CB-CD1 3.83Å; V474-I496 HydrophobicContact CB-CG2 4.3Å; V474-I496 HydrophobicContact CG2-CG2 3.66Å; L492-I496 HydrophobicContact CD1-CD1 3.69Å; L492-I496 HydrophobicContact CD1-CG1 4.02Å; L492-I496 HydrophobicContact CG-CD1 3.9Å; L492-I496 WeakPolarHBondContact O-CG1 3.28Å; L492-I496 PolarHBondContact O-N 3.01Å; S493-I496 PolarHBondContact O-N 3.13Å; I496-K498 PolarHBondContact O-N 3.41Å; I496-L499 PolarHBondContact O-N 3.44Å; I496-L499 VanDerWaalsContact O-N 3.09Å; I496-W500 HydrophobicContact CB-CE3 4.44Å; I496-W500 HydrophobicContact CB-CZ3 4.31Å; I496-W500 HydrophobicContact CG1-CZ3 4.38Å; I496-W500 HydrophobicContact CG2-CD2 4.04Å; I496-W500 HydrophobicContact CG2-CE3 3.71Å; I496-W500 HydrophobicContact CG2-CH2 3.99Å; I496-W500 HydrophobicContact CG2-CZ2 4.29Å; I496-W500 HydrophobicContact CG2-CZ3 3.68Å; I496-W500 PolarHBondContact O-N 2.91Å; I496-L532 HydrophobicContact CD1-CD1 4.32Å; I496-L532 HydrophobicContact CG1-CD1 4.23Å
497	M	98.6	Very high	97.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-52.2	-43.2	176	-68.9	171.4	78.4	0	0	111.4	F161 L162 V165 E166 V474 G476 L479 S493 A501	F161-M497 HydrophobicContact CB-CE 4.18Å; F161-M497 WeakPolarHBondContact O-CE 3.26Å; L162-M497 VanDerWaalsContact CA-CE 3.46Å; L162-M497 HydrophobicContact CB-CE 4.17Å; L162-M497 HydrophobicContact CD1-CB 3.92Å; L162-M497 HydrophobicContact CD1-CE 3.95Å; L162-M497 HydrophobicContact CD1-CG 4.07Å; V165-M497 HydrophobicContact CB-CE 3.85Å; V165-M497 HydrophobicContact CG1-CE 4.34Å; V165-M497 HydrophobicContact CG2-CE 4.07Å; E166-M497 HydrophobicContact CG-CB 4.27Å; V474-M497 WeakPolarHBondContact O-CG 3.06Å; G476-M497 WeakPolarHBondContact CA-SD 3.49Å; L479-M497 HydrophobicContact CD1-SD 4.02Å; L479-M497 HydrophobicContact CD2-CE 4.43Å; L479-M497 HydrophobicContact CD2-SD 3.98Å; S493-M497 WeakPolarHBondContact O-CB 3.46Å; S493-M497 WeakPolarHBondContact O-CG 3.49Å; S493-M497 PolarHBondContact O-N 3.42Å; M497-A501 VanDerWaalsContact O-CB 3.27Å; M497-A501 WeakPolarHBondContact O-CB 3.31Å; M497-A501 PolarHBondContact O-N 3.43Å
498	K	97.6	Very high	97.5	Very high	88 Å²	88	32 Å²	32	38%	0.383	16%	0.155	S	C	.	.	H	α-helix	trans	-64.3	-46.4	179.3	-176.4	55.6	170	166.4	0	112.2	E166 R494 S495 I496 A501 N502	E166-K498 WeakPolarHBondContact OE1-CD 3.19Å; E166-K498 VanDerWaalsContact OE2-CD 3.32Å; E166-K498 WeakPolarHBondContact OE2-CD 3.35Å; E166-K498 IonicContact OE2-NZ 3.67Å; E166-K498 PolarHBondContact OE2-NZ 3.14Å; R494-K498 VanDerWaalsContact O-CB 3.26Å; R494-K498 WeakPolarHBondContact O-CB 3.21Å; R494-K498 PolarHBondContact O-N 2.69Å; R494-K498 VanDerWaalsContact O-N 3.09Å; S495-K498 WeakPolarHBondContact O-CB 3.42Å; S495-K498 PolarHBondContact O-N 3.12Å; I496-K498 PolarHBondContact O-N 3.41Å; K498-A501 PolarHBondContact O-N 3.23Å; K498-N502 WeakPolarHBondContact CE-OD1 3.21Å; K498-N502 PolarHBondContact NZ-OD1 3.42Å; K498-N502 VanDerWaalsContact NZ-OD1 3.13Å; K498-N502 WeakPolarHBondContact O-CB 3.45Å; K498-N502 PolarHBondContact O-N 3.19Å; K498-N502 PolarHBondContact O-ND2 3.07Å
499	L	97.5	Very high	97.4	Very high	13 Å²	13	30.2 Å²	30.2	7%	0.068	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-44.6	179.4	-68.2	168	0	0	0	111.2	S495 I496 N502 F503 P509 W519 L532	S495-L499 VanDerWaalsContact O-CG 3.27Å; S495-L499 WeakPolarHBondContact O-CG 3.49Å; S495-L499 PolarHBondContact O-N 3.3Å; I496-L499 PolarHBondContact O-N 3.44Å; I496-L499 VanDerWaalsContact O-N 3.09Å; L499-N502 PolarHBondContact O-N 2.82Å; L499-F503 WeakPolarHBondContact O-CB 3.05Å; L499-F503 PolarHBondContact O-N 2.85Å; L499-P509 HydrophobicContact CB-CB 4.3Å; L499-P509 HydrophobicContact CD2-CB 3.99Å; L499-P509 WeakPolarHBondContact CD2-O 3.36Å; L499-W519 HydrophobicContact CB-CE3 4.39Å; L499-W519 HydrophobicContact CB-CZ3 3.91Å; L499-W519 HydrophobicContact CD1-CE3 3.92Å; L499-W519 HydrophobicContact CD1-CZ3 3.68Å; L499-W519 HydrophobicContact CD2-CE3 3.96Å; L499-W519 HydrophobicContact CD2-CZ3 4.31Å; L499-W519 HydrophobicContact CG-CE3 4.29Å; L499-W519 HydrophobicContact CG-CZ3 4.15Å; L499-L532 HydrophobicContact CD1-CD2 4.36Å
500	W	98.8	Very high	97.1	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.008	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-47.1	177.7	-90.3	-124.9	0	0	0	111.2	M139 I250 L347 Y448 V474 I496 F503 A504 W519 L532	M139-W500 HydrophobicContact CE-CB 4.18Å; I250-W500 HydrophobicContact CD1-CB 4.33Å; I250-W500 HydrophobicContact CD1-CG 4.03Å; L347-W500 HydrophobicContact CD1-CE3 4.49Å; L347-W500 HydrophobicContact CD2-CH2 4.32Å; L347-W500 HydrophobicContact CD2-CZ2 4.13Å; Y448-W500 AromaticContact CD1-CH2 3.74Å; Y448-W500 HydrophobicContact CD1-CH2 3.74Å; Y448-W500 HydrophobicContact CD1-CZ2 4.03Å; Y448-W500 AromaticContact CE1-CH2 3.73Å; Y448-W500 HydrophobicContact CE1-CH2 3.73Å; Y448-W500 AromaticContact CE1-CZ2 3.55Å; Y448-W500 HydrophobicContact CE1-CZ2 3.55Å; Y448-W500 HydrophobicContact CG-CH2 4.19Å; Y448-W500 AromaticContact CZ-CZ2 3.98Å; V474-W500 HydrophobicContact CG1-CG 4.3Å; V474-W500 HydrophobicContact CG2-CZ2 4Å; I496-W500 HydrophobicContact CB-CE3 4.44Å; I496-W500 HydrophobicContact CB-CZ3 4.31Å; I496-W500 HydrophobicContact CG1-CZ3 4.38Å; I496-W500 HydrophobicContact CG2-CD2 4.04Å; I496-W500 HydrophobicContact CG2-CE3 3.71Å; I496-W500 HydrophobicContact CG2-CH2 3.99Å; I496-W500 HydrophobicContact CG2-CZ2 4.29Å; I496-W500 HydrophobicContact CG2-CZ3 3.68Å; I496-W500 PolarHBondContact O-N 2.91Å; W500-F503 PolarHBondContact O-N 3.42Å; W500-A504 WeakPolarHBondContact O-CB 3.4Å; W500-A504 PolarHBondContact O-N 3.39Å; W500-W519 HydrophobicContact CH2-CH2 4.43Å; W500-W519 HydrophobicContact CZ3-CH2 4.05Å; W500-W519 HydrophobicContact CZ3-CZ3 4.17Å; W500-L532 HydrophobicContact CH2-CD1 3.72Å; W500-L532 HydrophobicContact CZ3-CD1 3.98Å
501	A	98.7	Very high	96.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.4	-36.6	179.6	0	0	0	0	0	112.7	E166 V168 M497 K498 A504 K505	E166-A501 HydrophobicContact CB-CB 3.47Å; E166-A501 VanDerWaalsContact CB-CB 3.47Å; E166-A501 HydrophobicContact CG-CB 3.52Å; V168-A501 HydrophobicContact CG1-CB 4.2Å; M497-A501 VanDerWaalsContact O-CB 3.27Å; M497-A501 WeakPolarHBondContact O-CB 3.31Å; M497-A501 PolarHBondContact O-N 3.43Å; K498-A501 PolarHBondContact O-N 3.23Å; A501-A504 PolarHBondContact O-N 3.06Å; A501-K505 WeakPolarHBondContact O-CB 3.3Å; A501-K505 WeakPolarHBondContact O-CD 3.47Å; A501-K505 WeakPolarHBondContact O-CG 3.4Å; A501-K505 PolarHBondContact O-N 3.3Å
502	N	98	Very high	95.4	Very high	14 Å²	14	29.9 Å²	29.9	8%	0.075	15%	0.149	C	C	.	.	H	α-helix	trans	-63.7	-45.6	173.2	-79.4	-11.3	0	0	0	110.9	K498 L499 A504 K505 Y506 H508 P509	K498-N502 WeakPolarHBondContact CE-OD1 3.21Å; K498-N502 PolarHBondContact NZ-OD1 3.42Å; K498-N502 VanDerWaalsContact NZ-OD1 3.13Å; K498-N502 WeakPolarHBondContact O-CB 3.45Å; K498-N502 PolarHBondContact O-N 3.19Å; K498-N502 PolarHBondContact O-ND2 3.07Å; L499-N502 PolarHBondContact O-N 2.82Å; N502-A504 VanDerWaalsContact C-N 3.31Å; N502-A504 PolarHBondContact O-N 3.46Å; N502-K505 PolarHBondContact O-N 3.5Å; N502-Y506 HydrophobicContact CB-CD2 4.17Å; N502-Y506 WeakPolarHBondContact O-CB 3.42Å; N502-Y506 WeakPolarHBondContact O-CD2 3.4Å; N502-Y506 PolarHBondContact O-N 3Å; N502-H508 CarbonylContact C-O 3.57Å; N502-P509 WeakPolarHBondContact CB-O 3.3Å; N502-P509 PolarHBondContact ND2-O 3.38Å; N502-P509 VanDerWaalsContact ND2-O 3.08Å
503	F	98.6	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-57.3	-46	173.8	173.9	-94.3	0	0	0	111.2	T222 R248 A249 I250 Q345 I346 L347 F446 L499 W500 K505 G507 H508 P509	T222-F503 HydrophobicContact CG2-CD1 4.27Å; T222-F503 HydrophobicContact CG2-CE1 4.09Å; R248-F503 HydrophobicContact CB-CE1 3.89Å; R248-F503 HydrophobicContact CB-CZ 4.11Å; R248-F503 WeakPolarHBondContact CD-O 3.08Å; A249-F503 WeakPolarHBondContact O-CE1 3.47Å; A249-F503 WeakPolarHBondContact O-CZ 3.24Å; I250-F503 HydrophobicContact CD1-CD1 3.77Å; I250-F503 HydrophobicContact CD1-CE1 4.25Å; I250-F503 HydrophobicContact CG1-CD1 3.59Å; I250-F503 HydrophobicContact CG1-CE1 3.55Å; Q345-F503 HydrophobicContact CB-CE2 3.82Å; Q345-F503 HydrophobicContact CB-CZ 4.07Å; Q345-F503 WeakPolarHBondContact O-CZ 3.23Å; I346-F503 VanDerWaalsContact C-CZ 3.43Å; L347-F503 HydrophobicContact CB-CD1 4.1Å; L347-F503 HydrophobicContact CB-CD2 4.06Å; L347-F503 HydrophobicContact CB-CE1 4.02Å; L347-F503 HydrophobicContact CB-CE2 3.97Å; L347-F503 HydrophobicContact CB-CG 4.11Å; L347-F503 HydrophobicContact CB-CZ 3.95Å; L347-F503 HydrophobicContact CD1-CB 3.98Å; L347-F503 HydrophobicContact CD1-CD1 4.41Å; L347-F503 HydrophobicContact CD1-CD2 4.32Å; L347-F503 HydrophobicContact CD1-CG 3.97Å; F446-F503 HydrophobicContact CD2-CD2 4.1Å; F446-F503 AromaticContact CD2-CE2 3.99Å; F446-F503 HydrophobicContact CD2-CE2 3.99Å; F446-F503 HydrophobicContact CE2-CD2 4.34Å; F446-F503 HydrophobicContact CE2-CE2 4.28Å; L499-F503 WeakPolarHBondContact O-CB 3.05Å; L499-F503 PolarHBondContact O-N 2.85Å; W500-F503 PolarHBondContact O-N 3.42Å; F503-K505 VanDerWaalsContact C-N 3.32Å; F503-K505 PolarHBondContact O-N 3.31Å; F503-G507 VanDerWaalsContact O-CA 3.25Å; F503-G507 WeakPolarHBondContact O-CA 3.19Å; F503-G507 PolarHBondContact O-N 3.46Å; F503-H508 PolarHBondContact N-O 2.82Å; F503-P509 HydrophobicContact CB-CG 4.3Å; F503-P509 HydrophobicContact CD2-CG 4.32Å
504	A	98.8	Very high	91.6	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-61.1	-39.3	178.7	0	0	0	0	0	113	T137 M139 T222 R248 W500 A501 N502	T137-A504 HydrophobicContact CG2-CB 3.7Å; T137-A504 WeakPolarHBondContact CG2-O 3.07Å; M139-A504 HydrophobicContact CE-CB 4.33Å; M139-A504 HydrophobicContact CG-CB 3.77Å; M139-A504 HydrophobicContact SD-CB 3.87Å; T222-A504 HydrophobicContact CG2-CB 4.09Å; T222-A504 VanDerWaalsContact OG1-CA 3.23Å; T222-A504 WeakPolarHBondContact OG1-CA 3.44Å; T222-A504 WeakPolarHBondContact OG1-CB 3.19Å; T222-A504 PolarHBondContact OG1-O 3.49Å; R248-A504 PolarHBondContact NH1-O 2.78Å; W500-A504 WeakPolarHBondContact O-CB 3.4Å; W500-A504 PolarHBondContact O-N 3.39Å; A501-A504 PolarHBondContact O-N 3.06Å; N502-A504 VanDerWaalsContact C-N 3.31Å; N502-A504 PolarHBondContact O-N 3.46Å
505	K	98.4	Very high	89.6	Confident	46 Å²	46	43.8 Å²	43.8	20%	0.2	23%	0.226	C	C	.	.	H	α-helix	trans	-75.8	-43.7	-179.2	-72.2	163.5	-172.9	168.5	0	112.9	T137 E166 A501 N502 F503	T137-K505 HydrophobicContact CG2-CG 4.18Å; T137-K505 WeakPolarHBondContact OG1-CG 3.43Å; E166-K505 PolarHBondContact O-NZ 3.5Å; E166-K505 IonicContact OE2-NZ 3.33Å; A501-K505 WeakPolarHBondContact O-CB 3.3Å; A501-K505 WeakPolarHBondContact O-CD 3.47Å; A501-K505 WeakPolarHBondContact O-CG 3.4Å; A501-K505 PolarHBondContact O-N 3.3Å; N502-K505 PolarHBondContact O-N 3.5Å; F503-K505 VanDerWaalsContact C-N 3.32Å; F503-K505 PolarHBondContact O-N 3.31Å
506	Y	96.9	Very high	87.6	Confident	115 Å²	115	45.5 Å²	45.5	45%	0.451	24%	0.238	S	C	.	.	H	α-helix	trans	-120.1	-10.8	-162.5	-50	-65.4	0	0	0	113.9	N502 T512	N502-Y506 HydrophobicContact CB-CD2 4.17Å; N502-Y506 WeakPolarHBondContact O-CB 3.42Å; N502-Y506 WeakPolarHBondContact O-CD2 3.4Å; N502-Y506 PolarHBondContact O-N 3Å; Y506-T512 HydrophobicContact CD1-CG2 3.74Å; Y506-T512 HydrophobicContact CE1-CG2 3.66Å; Y506-T512 HydrophobicContact CE2-CG2 4.45Å; Y506-T512 HydrophobicContact CG-CG2 4.19Å
507	G	96.4	Very high	85.6	Confident	5 Å²	5	53.6 Å²	53.6	5%	0.052	27%	0.273	C	S	.	.	S	Bend	trans	75.2	12.1	-172.2	0	0	0	0	0	114.3	F446 F503	F446-G507 WeakPolarHBondContact CE2-O 3.46Å; F503-G507 VanDerWaalsContact O-CA 3.25Å; F503-G507 WeakPolarHBondContact O-CA 3.19Å; F503-G507 PolarHBondContact O-N 3.46Å
508	H	95.3	Very high	84.7	Confident	53 Å²	53	58.2 Å²	58.2	25%	0.245	30%	0.296	C	S	.	.	S	Bend	trans	-145	130	178.2	-161.5	-40.7	0	0	0	110.5	F446 N502 F503 N510 G511 W519	F446-H508 AromaticContact CE1-CE1 3.38Å; F446-H508 WeakPolarHBondContact CE1-CE1 3.25Å; F446-H508 AromaticContact CE1-ND1 3.71Å; F446-H508 AromaticContact CE1-NE2 3.7Å; F446-H508 HydrophobicContact CZ-CB 4.3Å; F446-H508 AromaticContact CZ-CD2 3.76Å; F446-H508 AromaticContact CZ-CE1 3.74Å; F446-H508 AromaticContact CZ-CG 3.72Å; F446-H508 AromaticContact CZ-ND1 3.73Å; F446-H508 AromaticContact CZ-NE2 3.79Å; N502-H508 CarbonylContact C-O 3.57Å; F503-H508 PolarHBondContact N-O 2.82Å; H508-N510 VanDerWaalsContact C-N 3.27Å; H508-N510 PolarHBondContact CE1-ND2 2.64Å; H508-N510 PolarHBondContact ND1-N 2.69Å; H508-N510 PolarHBondContact O-N 3.27Å; H508-G511 PolarHBondContact O-N 3.44Å; H508-W519 PolarHBondContact CE1-O 2.98Å
509	P	94.4	Very high	84.4	Confident	0 Å²	0	54 Å²	54	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.2	-178.2	-25.6	34.2	0	0	0	114.5	L347 F446 L499 N502 F503 G511 W519	L347-P509 HydrophobicContact CD1-CG 3.96Å; F446-P509 HydrophobicContact CB-CG 4.11Å; F446-P509 HydrophobicContact CD1-CG 3.98Å; F446-P509 HydrophobicContact CD2-CG 4.07Å; F446-P509 HydrophobicContact CE1-CG 4.45Å; F446-P509 HydrophobicContact CG-CG 3.77Å; L499-P509 HydrophobicContact CB-CB 4.3Å; L499-P509 HydrophobicContact CD2-CB 3.99Å; L499-P509 WeakPolarHBondContact CD2-O 3.36Å; N502-P509 WeakPolarHBondContact CB-O 3.3Å; N502-P509 PolarHBondContact ND2-O 3.38Å; N502-P509 VanDerWaalsContact ND2-O 3.08Å; F503-P509 HydrophobicContact CB-CG 4.3Å; F503-P509 HydrophobicContact CD2-CG 4.32Å; P509-G511 PolarHBondContact O-N 2.93Å; P509-W519 HydrophobicContact CB-CD2 3.93Å; P509-W519 HydrophobicContact CB-CE3 3.43Å; P509-W519 VanDerWaalsContact CB-CE3 3.43Å; P509-W519 HydrophobicContact CB-CG 4.43Å; P509-W519 HydrophobicContact CB-CZ3 3.89Å; P509-W519 HydrophobicContact CG-CD2 3.97Å; P509-W519 HydrophobicContact CG-CE3 3.89Å; P509-W519 HydrophobicContact CG-CG 4.41Å; P509-W519 HydrophobicContact CG-CZ3 4.24Å
510	N	89.9	Confident	84.1	Confident	14 Å²	14	54.3 Å²	54.3	8%	0.075	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-7.6	178	-56.7	-20.4	0	0	0	113.6	H508 N515 W519	H508-N510 VanDerWaalsContact C-N 3.27Å; H508-N510 PolarHBondContact CE1-ND2 2.64Å; H508-N510 PolarHBondContact ND1-N 2.69Å; H508-N510 PolarHBondContact O-N 3.27Å; N510-N515 PolarHBondContact ND2-O 3.06Å; N510-W519 PolarHBondContact ND2-N 3.22Å; N510-W519 PolarHBondContact ND2-O 2.85Å; N510-W519 VanDerWaalsContact OD1-CB 3.28Å; N510-W519 WeakPolarHBondContact OD1-CB 3.36Å; N510-W519 PolarHBondContact OD1-N 3.44Å
511	G	84.6	Confident	84	Confident	12 Å²	12	56.3 Å²	56.3	12%	0.124	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.6	-143.7	-175.6	0	0	0	0	0	112.7	H508 P509 Q513	H508-G511 PolarHBondContact O-N 3.44Å; P509-G511 PolarHBondContact O-N 2.93Å; G511-Q513 VanDerWaalsContact C-N 3.32Å
512	T	73.7	Confident	83.9	Confident	109 Å²	109	56.4 Å²	56.4	67%	0.669	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-1	-179.9	59.8	0	0	0	0	113.6	Y506 N514	Y506-T512 HydrophobicContact CD1-CG2 3.74Å; Y506-T512 HydrophobicContact CE1-CG2 3.66Å; Y506-T512 HydrophobicContact CE2-CG2 4.45Å; Y506-T512 HydrophobicContact CG-CG2 4.19Å; T512-N514 PolarHBondContact O-N 3.34Å
513	Q	64.3	Low	83.9	Confident	134 Å²	134	57.6 Å²	57.6	63%	0.626	30%	0.301	S	S	*	.			trans	-78.6	120.2	177.6	-66.2	-174.3	0.7	0	0	109.2	G511 N515	G511-Q513 VanDerWaalsContact C-N 3.32Å; Q513-N515 PolarHBondContact O-N 3.1Å
514	N	51.6	Low	83.6	Confident	175 Å²	175	59.3 Å²	59.3	94%	0.936	31%	0.313	S	S	*	.			trans	-72.1	45.3	176	-90.4	-1.7	0	0	0	112.7	T512	T512-N514 PolarHBondContact O-N 3.34Å
515	N	55.1	Low	83.4	Confident	83 Å²	83	64.3 Å²	64.3	44%	0.444	34%	0.344	S	S	.	.			trans	-104.3	72.5	172.9	-146.2	-1.5	0	0	0	108.9	N510 Q513 K517 M518	N510-N515 PolarHBondContact ND2-O 3.06Å; Q513-N515 PolarHBondContact O-N 3.1Å; N515-K517 PolarHBondContact O-N 2.98Å; N515-M518 PolarHBondContact O-N 3.3Å; N515-M518 VanDerWaalsContact O-N 3.08Å
516	S	53.7	Low	83.2	Confident	91 Å²	91	66.3 Å²	66.3	64%	0.636	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-10.8	178.1	56.1	0	0	0	0	114
517	K	57.1	Low	83.3	Confident	171 Å²	171	62.5 Å²	62.5	74%	0.743	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-11.1	175	-65.6	-174.9	177.9	-178.1	0	114.9	N515 I539	N515-K517 PolarHBondContact O-N 2.98Å; K517-I539 VanDerWaalsContact O-CD1 3.25Å; K517-I539 WeakPolarHBondContact O-CD1 3.32Å
518	M	78.6	Confident	83.3	Confident	97 Å²	97	65.2 Å²	65.2	48%	0.478	35%	0.35	S	S	.	.	S	Bend	trans	-86.9	-49.4	-173.8	-168.3	177.7	-64.7	0	0	113.4	N515	N515-M518 PolarHBondContact O-N 3.3Å; N515-M518 VanDerWaalsContact O-N 3.08Å
519	W	91.4	Very high	83.4	Confident	1 Å²	1	63.7 Å²	63.7	0%	0.004	34%	0.342	C	S	.	.	S	Bend	trans	-137.3	109.7	171.1	-164.4	-26.6	0	0	0	108.6	L347 F446 F447 Y448 L499 W500 H508 P509 N510 L530	L347-W519 HydrophobicContact CD1-CH2 4.03Å; L347-W519 HydrophobicContact CD1-CZ3 4.49Å; L347-W519 HydrophobicContact CD2-CH2 4.17Å; L347-W519 HydrophobicContact CD2-CZ2 4.45Å; L347-W519 HydrophobicContact CG-CH2 4.2Å; L347-W519 HydrophobicContact CG-CZ2 4.32Å; F446-W519 HydrophobicContact CB-CZ2 4.29Å; F446-W519 AromaticContact CD1-CD1 3.99Å; F446-W519 HydrophobicContact CD1-CG 4.42Å; F447-W519 PolarHBondContact O-NE1 2.9Å; F447-W519 VanDerWaalsContact O-NE1 3.12Å; Y448-W519 HydrophobicContact CD1-CH2 4.3Å; Y448-W519 HydrophobicContact CD1-CZ2 4.44Å; Y448-W519 HydrophobicContact CG-CH2 4.48Å; L499-W519 HydrophobicContact CB-CE3 4.39Å; L499-W519 HydrophobicContact CB-CZ3 3.91Å; L499-W519 HydrophobicContact CD1-CE3 3.92Å; L499-W519 HydrophobicContact CD1-CZ3 3.68Å; L499-W519 HydrophobicContact CD2-CE3 3.96Å; L499-W519 HydrophobicContact CD2-CZ3 4.31Å; L499-W519 HydrophobicContact CG-CE3 4.29Å; L499-W519 HydrophobicContact CG-CZ3 4.15Å; W500-W519 HydrophobicContact CH2-CH2 4.43Å; W500-W519 HydrophobicContact CZ3-CH2 4.05Å; W500-W519 HydrophobicContact CZ3-CZ3 4.17Å; H508-W519 PolarHBondContact CE1-O 2.98Å; P509-W519 HydrophobicContact CB-CD2 3.93Å; P509-W519 HydrophobicContact CB-CE3 3.43Å; P509-W519 VanDerWaalsContact CB-CE3 3.43Å; P509-W519 HydrophobicContact CB-CG 4.43Å; P509-W519 HydrophobicContact CB-CZ3 3.89Å; P509-W519 HydrophobicContact CG-CD2 3.97Å; P509-W519 HydrophobicContact CG-CE3 3.89Å; P509-W519 HydrophobicContact CG-CG 4.41Å; P509-W519 HydrophobicContact CG-CZ3 4.24Å; N510-W519 PolarHBondContact ND2-N 3.22Å; N510-W519 PolarHBondContact ND2-O 2.85Å; N510-W519 VanDerWaalsContact OD1-CB 3.28Å; N510-W519 WeakPolarHBondContact OD1-CB 3.36Å; N510-W519 PolarHBondContact OD1-N 3.44Å; W519-L530 HydrophobicContact CB-CD2 4.25Å; W519-L530 HydrophobicContact CD2-CB 3.94Å; W519-L530 HydrophobicContact CD2-CD2 3.56Å; W519-L530 HydrophobicContact CD2-CG 4.4Å; W519-L530 HydrophobicContact CE3-CD2 3.44Å; W519-L530 VanDerWaalsContact CE3-CD2 3.44Å; W519-L530 HydrophobicContact CG-CB 4.05Å; W519-L530 HydrophobicContact CG-CD2 3.93Å; W519-L530 HydrophobicContact CZ2-CB 4.41Å; W519-L530 HydrophobicContact CZ3-CD2 4.03Å
520	P	92.6	Very high	83.5	Confident	19 Å²	19	64 Å²	64	12%	0.123	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-77.4	156	-178.1	31.9	-35.7	0	0	0	112.1	F446 K528 I539	F446-P520 WeakPolarHBondContact CD1-O 3.35Å; P520-K528 HydrophobicContact CB-CB 4.22Å; P520-K528 HydrophobicContact CB-CD 4.13Å; P520-K528 HydrophobicContact CG-CB 3.65Å; P520-K528 HydrophobicContact CG-CD 4.15Å; P520-K528 HydrophobicContact CG-CG 4.48Å; P520-I539 HydrophobicContact CG-CD1 4.24Å; P520-I539 HydrophobicContact CG-CG1 4.39Å; P520-I539 HydrophobicContact CG-CG2 3.84Å
521	V	95.7	Very high	83.9	Confident	44 Å²	44	63.3 Å²	63.3	27%	0.267	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-67.5	136.1	168.3	178.4	0	0	0	0	108.7	N444 A445 F446	N444-V521 HydrophobicContact CB-CG1 4.49Å; A445-V521 CarbonylContact O-C 3.26Å; A445-V521 WeakPolarHBondContact O-CA 3.4Å; A445-V521 WeakPolarHBondContact O-CG1 3.48Å; F446-V521 HydrophobicContact CE1-CB 4.48Å; F446-V521 HydrophobicContact CE1-CG2 3.72Å; F446-V521 HydrophobicContact CZ-CG2 3.92Å
522	F	97.6	Very high	84.5	Confident	1 Å²	1	62.9 Å²	62.9	0%	0.004	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-73.8	128.3	170.5	-175.3	-78.8	0	0	0	108.9	L432 T435 K436 S439 A445 F447 Q527 K528	L432-F522 HydrophobicContact CD2-CE2 4.17Å; T435-F522 HydrophobicContact CG2-CB 4.18Å; T435-F522 HydrophobicContact CG2-CD1 3.59Å; T435-F522 HydrophobicContact CG2-CD2 4.18Å; T435-F522 HydrophobicContact CG2-CE1 3.93Å; T435-F522 HydrophobicContact CG2-CE2 4.45Å; T435-F522 HydrophobicContact CG2-CG 3.72Å; T435-F522 HydrophobicContact CG2-CZ 4.33Å; K436-F522 HydrophobicContact CB-CE1 4.19Å; S439-F522 PolarHBondContact OG-O 3.08Å; A445-F522 HydrophobicContact CB-CB 4.21Å; A445-F522 PolarHBondContact O-N 3.36Å; F447-F522 HydrophobicContact CB-CB 4.49Å; F447-F522 HydrophobicContact CB-CD2 3.72Å; F447-F522 HydrophobicContact CB-CE2 4.37Å; F447-F522 HydrophobicContact CB-CG 4.44Å; F447-F522 HydrophobicContact CG-CD2 4.37Å; F522-Q527 HydrophobicContact CE1-CG 4.18Å; F522-Q527 HydrophobicContact CE2-CB 3.76Å; F522-Q527 HydrophobicContact CE2-CG 4.18Å; F522-Q527 HydrophobicContact CZ-CB 3.78Å; F522-Q527 HydrophobicContact CZ-CG 3.65Å; F522-K528 WeakPolarHBondContact CD2-O 3.47Å
523	T	96.5	Very high	85.4	Confident	40 Å²	40	58.3 Å²	58.3	25%	0.245	31%	0.307	C	S	.	.			trans	-123.2	154.9	173.3	65.4	0	0	0	0	109.3	T525 E526 Q527	T523-T525 PolarHBondContact O-N 2.93Å; T523-T525 PolarHBondContact OG1-OG1 2.89Å; T523-E526 PolarHBondContact OG1-N 3.14Å; T523-E526 VanDerWaalsContact OG1-N 3.13Å; T523-Q527 VanDerWaalsContact O-CA 3.25Å; T523-Q527 WeakPolarHBondContact O-CA 3.36Å; T523-Q527 WeakPolarHBondContact O-CG 3.45Å; T523-Q527 PolarHBondContact O-N 3.14Å
524	S	92.8	Very high	86.8	Confident	35 Å²	35	54.7 Å²	54.7	25%	0.245	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-21.5	177.4	52.5	0	0	0	0	114.1	D440	D440-S524 WeakPolarHBondContact OD1-CB 3.41Å; D440-S524 PolarHBondContact OD1-OG 3.06Å
525	T	94	Very high	88.6	Confident	106 Å²	106	52.8 Å²	52.8	65%	0.65	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-52.3	179.1	53.3	0	0	0	0	112.7	T523	T523-T525 PolarHBondContact O-N 2.93Å; T523-T525 PolarHBondContact OG1-OG1 2.89Å
526	E	96	Very high	89.8	Confident	88 Å²	88	57.7 Å²	57.7	41%	0.411	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-28.7	-174.7	-57.7	-168.8	120.7	0	0	112.6	T523 K528 S541	T523-E526 PolarHBondContact OG1-N 3.14Å; T523-E526 VanDerWaalsContact OG1-N 3.13Å; E526-K528 HydrophobicContact CB-CD 4.26Å; E526-K528 HydrophobicContact CB-CG 4.01Å; E526-K528 PolarHBondContact O-N 3.26Å; E526-K528 VanDerWaalsContact O-N 3.14Å; E526-K528 WeakPolarHBondContact OE1-CE 3.3Å; E526-K528 IonicContact OE1-NZ 3.77Å; E526-K528 PolarHBondContact OE1-NZ 3.11Å; E526-K528 VanDerWaalsContact OE2-CE 3.28Å; E526-K528 WeakPolarHBondContact OE2-CE 3.47Å; E526-K528 IonicContact OE2-NZ 3.71Å; E526-K528 PolarHBondContact OE2-NZ 3.29Å; E526-S541 VanDerWaalsContact O-CB 3.24Å; E526-S541 WeakPolarHBondContact O-CB 3.16Å
527	Q	97.3	Very high	91.3	Very high	34 Å²	34	55.9 Å²	55.9	16%	0.159	28%	0.284	C	S	.	.			trans	45.9	43.3	-179.2	-61.8	-178.3	-124	0	0	113	F522 T523 S541 K542	F522-Q527 HydrophobicContact CE1-CG 4.18Å; F522-Q527 HydrophobicContact CE2-CB 3.76Å; F522-Q527 HydrophobicContact CE2-CG 4.18Å; F522-Q527 HydrophobicContact CZ-CB 3.78Å; F522-Q527 HydrophobicContact CZ-CG 3.65Å; T523-Q527 VanDerWaalsContact O-CA 3.25Å; T523-Q527 WeakPolarHBondContact O-CA 3.36Å; T523-Q527 WeakPolarHBondContact O-CG 3.45Å; T523-Q527 PolarHBondContact O-N 3.14Å; Q527-S541 WeakPolarHBondContact O-CA 3.1Å; Q527-K542 HydrophobicContact CB-CG 4.22Å; Q527-K542 PolarHBondContact O-N 3.32Å
528	K	97.6	Very high	92.9	Very high	62 Å²	62	53.2 Å²	53.2	27%	0.27	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	140	-179.1	-72.3	172.8	-178.6	155.6	0	110.9	P520 F522 E526 I539 N540	P520-K528 HydrophobicContact CB-CB 4.22Å; P520-K528 HydrophobicContact CB-CD 4.13Å; P520-K528 HydrophobicContact CG-CB 3.65Å; P520-K528 HydrophobicContact CG-CD 4.15Å; P520-K528 HydrophobicContact CG-CG 4.48Å; F522-K528 WeakPolarHBondContact CD2-O 3.47Å; E526-K528 HydrophobicContact CB-CD 4.26Å; E526-K528 HydrophobicContact CB-CG 4.01Å; E526-K528 PolarHBondContact O-N 3.26Å; E526-K528 VanDerWaalsContact O-N 3.14Å; E526-K528 WeakPolarHBondContact OE1-CE 3.3Å; E526-K528 IonicContact OE1-NZ 3.77Å; E526-K528 PolarHBondContact OE1-NZ 3.11Å; E526-K528 VanDerWaalsContact OE2-CE 3.28Å; E526-K528 WeakPolarHBondContact OE2-CE 3.47Å; E526-K528 IonicContact OE2-NZ 3.71Å; E526-K528 PolarHBondContact OE2-NZ 3.29Å; K528-I539 HydrophobicContact CB-CG2 4.35Å; K528-I539 HydrophobicContact CD-CG2 4.46Å; K528-I539 HydrophobicContact CG-CG2 4.4Å; K528-N540 CarbonylContact C-O 3.59Å; K528-N540 VanDerWaalsContact CA-O 3.26Å; K528-N540 WeakPolarHBondContact CA-O 3.48Å
529	Y	97.5	Very high	93.7	Very high	21 Å²	21	52.1 Å²	52.1	8%	0.082	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	159.9	176.9	67.5	-85.3	0	0	0	111	F447 Y449 I539 N540 L543	F447-Y529 VanDerWaalsContact O-CA 3.31Å; F447-Y529 WeakPolarHBondContact O-CA 3.44Å; F447-Y529 WeakPolarHBondContact O-CB 3.25Å; Y449-Y529 HydrophobicContact CD1-CE2 4.29Å; Y449-Y529 HydrophobicContact CG-CE2 4.28Å; Y529-I539 WeakPolarHBondContact O-CA 3.32Å; Y529-N540 HydrophobicContact CD1-CB 4.22Å; Y529-N540 HydrophobicContact CD2-CB 4.46Å; Y529-N540 HydrophobicContact CE1-CB 3.51Å; Y529-N540 HydrophobicContact CE2-CB 3.8Å; Y529-N540 PolarHBondContact N-O 2.97Å; Y529-N540 PolarHBondContact O-N 3.34Å; Y529-N540 WeakPolarHBondContact OH-CB 3.35Å; Y529-L543 HydrophobicContact CD1-CB 3.9Å; Y529-L543 HydrophobicContact CE1-CB 3.52Å; Y529-L543 HydrophobicContact CE1-CD1 4.38Å; Y529-L543 HydrophobicContact CE1-CG 4.48Å; Y529-L543 HydrophobicContact CE2-CB 4.48Å; Y529-L543 HydrophobicContact CE2-CD1 4.14Å
530	L	97.1	Very high	93.9	Very high	7 Å²	7	54.7 Å²	54.7	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	122.8	177.3	-172.5	70.1	0	0	0	110.5	F447 Y448 Y449 W519 L532 I539	F447-L530 PolarHBondContact O-N 3.43Å; Y448-L530 CarbonylContact C-O 3.42Å; Y448-L530 WeakPolarHBondContact CA-O 3.48Å; Y449-L530 PolarHBondContact N-O 3.03Å; W519-L530 HydrophobicContact CB-CD2 4.25Å; W519-L530 HydrophobicContact CD2-CB 3.94Å; W519-L530 HydrophobicContact CD2-CD2 3.56Å; W519-L530 HydrophobicContact CD2-CG 4.4Å; W519-L530 HydrophobicContact CE3-CD2 3.44Å; W519-L530 VanDerWaalsContact CE3-CD2 3.44Å; W519-L530 HydrophobicContact CG-CB 4.05Å; W519-L530 HydrophobicContact CG-CD2 3.93Å; W519-L530 HydrophobicContact CZ2-CB 4.41Å; W519-L530 HydrophobicContact CZ3-CD2 4.03Å; L530-L532 HydrophobicContact CD2-CD2 3.83Å; L530-L532 HydrophobicContact CG-CD2 4.23Å; L530-I539 HydrophobicContact CD1-CG1 4.12Å
531	T	97.1	Very high	94.2	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	127.8	168.9	-64.7	0	0	0	0	110.1	Y449 E451 S537 R538 N540	Y449-T531 CarbonylContact O-C 3.59Å; Y449-T531 WeakPolarHBondContact O-CA 3.44Å; E451-T531 HydrophobicContact CB-CG2 4.21Å; E451-T531 VanDerWaalsContact CD-CG2 3.45Å; E451-T531 HydrophobicContact CG-CG2 3.83Å; E451-T531 WeakPolarHBondContact OE2-CG2 3.32Å; T531-S537 WeakPolarHBondContact O-CB 3.44Å; T531-R538 PolarHBondContact N-O 2.9Å; T531-N540 PolarHBondContact OG1-ND2 3.19Å; T531-N540 VanDerWaalsContact OG1-ND2 3.07Å
532	L	96.4	Very high	94.3	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	118	176.4	-60.8	177.7	0	0	0	109.5	Y448 Y449 L450 E451 I496 L499 W500 L530	Y448-L532 HydrophobicContact CD2-CD1 3.76Å; Y448-L532 HydrophobicContact CG-CD1 3.78Å; Y449-L532 PolarHBondContact O-N 3.43Å; L450-L532 HydrophobicContact CD1-CB 3.87Å; E451-L532 PolarHBondContact N-O 3.33Å; I496-L532 HydrophobicContact CD1-CD1 4.32Å; I496-L532 HydrophobicContact CG1-CD1 4.23Å; L499-L532 HydrophobicContact CD1-CD2 4.36Å; W500-L532 HydrophobicContact CH2-CD1 3.72Å; W500-L532 HydrophobicContact CZ3-CD1 3.98Å; L530-L532 HydrophobicContact CD2-CD2 3.83Å; L530-L532 HydrophobicContact CG-CD2 4.23Å
533	N	94.6	Very high	94.3	Very high	14 Å²	14	60.9 Å²	60.9	8%	0.075	31%	0.309	C	S	.	.	S	Bend	trans	-155.6	-179.9	170.9	61.6	31.5	0	0	0	111	E451 H452 L492 E535	E451-N533 HydrophobicContact CB-CB 4.37Å; H452-N533 HydrophobicContact CB-CB 4.09Å; L492-N533 WeakPolarHBondContact CD1-O 3.44Å; N533-E535 PolarHBondContact O-N 2.94Å; N533-E535 VanDerWaalsContact OD1-C 3.3Å; N533-E535 WeakPolarHBondContact OD1-CA 3.45Å; N533-E535 WeakPolarHBondContact OD1-CB 3.42Å; N533-E535 PolarHBondContact OD1-N 3.49Å; N533-E535 PolarHBondContact OD1-O 3.13Å
534	T	93.6	Very high	94.3	Very high	57 Å²	57	61.3 Å²	61.3	35%	0.35	31%	0.306	S	S	.	.	S	Bend	trans	-73.3	-15.4	177.1	44.1	0	0	0	0	113.9	H452 A488 E489 L492	H452-T534 WeakPolarHBondContact CE1-CG2 3.26Å; H452-T534 VanDerWaalsContact ND1-CG2 3.31Å; H452-T534 WeakPolarHBondContact ND1-CG2 3.46Å; H452-T534 PolarHBondContact ND1-OG1 3.49Å; H452-T534 VanDerWaalsContact ND1-OG1 3.14Å; A488-T534 HydrophobicContact CB-CG2 3.74Å; E489-T534 HydrophobicContact CG-CG2 4.21Å; L492-T534 HydrophobicContact CB-CG2 4.19Å; L492-T534 HydrophobicContact CD2-CG2 4.01Å
535	E	89	Confident	94.5	Very high	135 Å²	135	60.8 Å²	60.8	63%	0.631	30%	0.304	S	S	*	.	S	Bend	trans	-81.3	-170.6	170.8	-55.7	-171.3	160.9	0	0	111.1	N533 S537	N533-E535 PolarHBondContact O-N 2.94Å; N533-E535 VanDerWaalsContact OD1-C 3.3Å; N533-E535 WeakPolarHBondContact OD1-CA 3.45Å; N533-E535 WeakPolarHBondContact OD1-CB 3.42Å; N533-E535 PolarHBondContact OD1-N 3.49Å; N533-E535 PolarHBondContact OD1-O 3.13Å; E535-S537 PolarHBondContact O-N 3.45Å
536	K	80.1	Confident	94.7	Very high	186 Å²	186	59.5 Å²	59.5	81%	0.809	30%	0.298	S	S	*	.			trans	-69.6	123	177.3	-172.9	178.8	179.8	-177.7	0	109.8	R538	K536-R538 WeakPolarHBondContact O-CG 3.49Å; K536-R538 PolarHBondContact O-N 2.94Å
537	S	84.6	Confident	94.8	Very high	54 Å²	54	57.3 Å²	57.3	38%	0.378	29%	0.287	S	S	.	.			trans	-53.6	135.5	175.3	-48.6	0	0	0	0	111.6	T531 E535	T531-S537 WeakPolarHBondContact O-CB 3.44Å; E535-S537 PolarHBondContact O-N 3.45Å
538	R	92	Very high	94.8	Very high	114 Å²	114	56 Å²	56	43%	0.43	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	141.5	-177.4	-63.1	-176.4	-72.7	-140.6	-0.3	110	E451 T531 K536	E451-R538 IonicContact OE2-NH2 3.61Å; E451-R538 PolarHBondContact OE2-NH2 3.28Å; T531-R538 PolarHBondContact N-O 2.9Å; K536-R538 WeakPolarHBondContact O-CG 3.49Å; K536-R538 PolarHBondContact O-N 2.94Å
539	I	95.1	Very high	94.8	Very high	74 Å²	74	57.2 Å²	57.2	38%	0.379	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	120.2	169.9	-64.1	168.8	0	0	0	107.1	K517 P520 K528 Y529 L530	K517-I539 VanDerWaalsContact O-CD1 3.25Å; K517-I539 WeakPolarHBondContact O-CD1 3.32Å; P520-I539 HydrophobicContact CG-CD1 4.24Å; P520-I539 HydrophobicContact CG-CG1 4.39Å; P520-I539 HydrophobicContact CG-CG2 3.84Å; K528-I539 HydrophobicContact CB-CG2 4.35Å; K528-I539 HydrophobicContact CD-CG2 4.46Å; K528-I539 HydrophobicContact CG-CG2 4.4Å; Y529-I539 WeakPolarHBondContact O-CA 3.32Å; L530-I539 HydrophobicContact CD1-CG1 4.12Å
540	N	95.9	Very high	94.8	Very high	56 Å²	56	56.7 Å²	56.7	30%	0.299	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	173.4	176.9	-68	-44	0	0	0	109.1	K528 Y529 T531	K528-N540 CarbonylContact C-O 3.59Å; K528-N540 VanDerWaalsContact CA-O 3.26Å; K528-N540 WeakPolarHBondContact CA-O 3.48Å; Y529-N540 HydrophobicContact CD1-CB 4.22Å; Y529-N540 HydrophobicContact CD2-CB 4.46Å; Y529-N540 HydrophobicContact CE1-CB 3.51Å; Y529-N540 HydrophobicContact CE2-CB 3.8Å; Y529-N540 PolarHBondContact N-O 2.97Å; Y529-N540 PolarHBondContact O-N 3.34Å; Y529-N540 WeakPolarHBondContact OH-CB 3.35Å; T531-N540 PolarHBondContact OG1-ND2 3.19Å; T531-N540 VanDerWaalsContact OG1-ND2 3.07Å
541	S	97.3	Very high	94.8	Very high	70 Å²	70	57 Å²	57	49%	0.49	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	154.7	177.1	54.3	0	0	0	0	110.9	E526 Q527 L543	E526-S541 VanDerWaalsContact O-CB 3.24Å; E526-S541 WeakPolarHBondContact O-CB 3.16Å; Q527-S541 WeakPolarHBondContact O-CA 3.1Å; S541-L543 PolarHBondContact O-N 2.91Å
542	K	97.7	Very high	94.6	Very high	117 Å²	117	59.4 Å²	59.4	51%	0.509	30%	0.3	S	S	.	.	S	Bend	trans	56.1	51.9	169.7	-59.4	-174.1	178.8	-169.1	0	113.4	Q527 R544 A545	Q527-K542 HydrophobicContact CB-CG 4.22Å; Q527-K542 PolarHBondContact O-N 3.32Å; K542-R544 PolarHBondContact O-N 3.46Å; K542-A545 HydrophobicContact CB-CB 3.85Å; K542-A545 WeakPolarHBondContact O-CB 3.33Å; K542-A545 PolarHBondContact O-N 3.27Å
543	L	98.2	Very high	94.5	Very high	7 Å²	7	63.9 Å²	63.9	4%	0.037	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.6	129.1	175.1	-179.7	62.8	0	0	0	110.7	V350 I428 L432 F447 Y449 Y529 S541 A545	V350-L543 HydrophobicContact CG2-CD2 4.12Å; I428-L543 HydrophobicContact CG2-CD2 4.21Å; I428-L543 HydrophobicContact CG2-CG 4.5Å; L432-L543 HydrophobicContact CD1-CB 4.16Å; L432-L543 HydrophobicContact CD1-CD2 4.34Å; L432-L543 HydrophobicContact CD1-CG 4.28Å; L432-L543 WeakPolarHBondContact CD1-O 3.48Å; L432-L543 HydrophobicContact CD2-CB 4.26Å; L432-L543 HydrophobicContact CD2-CD2 4.47Å; F447-L543 HydrophobicContact CD1-CD2 4.44Å; F447-L543 HydrophobicContact CE1-CD2 3.67Å; F447-L543 HydrophobicContact CZ-CD2 4.43Å; Y449-L543 HydrophobicContact CD1-CD1 4.07Å; Y449-L543 HydrophobicContact CD2-CD1 4.08Å; Y449-L543 HydrophobicContact CD2-CD2 3.77Å; Y449-L543 HydrophobicContact CE1-CD1 4.08Å; Y449-L543 HydrophobicContact CE2-CD1 4.1Å; Y449-L543 HydrophobicContact CE2-CD2 4.25Å; Y449-L543 HydrophobicContact CG-CD1 4.04Å; Y449-L543 HydrophobicContact CG-CD2 4.13Å; Y529-L543 HydrophobicContact CD1-CB 3.9Å; Y529-L543 HydrophobicContact CE1-CB 3.52Å; Y529-L543 HydrophobicContact CE1-CD1 4.38Å; Y529-L543 HydrophobicContact CE1-CG 4.48Å; Y529-L543 HydrophobicContact CE2-CB 4.48Å; Y529-L543 HydrophobicContact CE2-CD1 4.14Å; S541-L543 PolarHBondContact O-N 2.91Å; L543-A545 PolarHBondContact O-N 3.11Å
544	R	97.3	Very high	94.6	Very high	48 Å²	48	68.3 Å²	68.3	18%	0.181	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	46	32.5	176.6	-56.7	-67.3	-70	-172.2	7.7	113.8	D420 D424 I428 K542 Q547 C548	D420-R544 IonicContact OD1-CZ 3.9Å; D420-R544 IonicContact OD1-NH1 3.18Å; D420-R544 PolarHBondContact OD1-NH1 3Å; D420-R544 IonicContact OD1-NH2 3.93Å; D420-R544 PolarHBondContact OD1-NH2 3.07Å; D420-R544 IonicContact OD2-CZ 3.3Å; D420-R544 VanDerWaalsContact OD2-CZ 3.28Å; D420-R544 IonicContact OD2-NH1 3.13Å; D420-R544 PolarHBondContact OD2-NH1 3.21Å; D420-R544 IonicContact OD2-NH2 2.69Å; D420-R544 PolarHBondContact OD2-NH2 3.14Å; D424-R544 IonicContact OD1-CZ 3.9Å; D424-R544 IonicContact OD1-NE 2.74Å; D424-R544 PolarHBondContact OD1-NE 3.48Å; D424-R544 IonicContact OD1-NH2 2.7Å; D424-R544 IonicContact OD2-CZ 2.69Å; D424-R544 VanDerWaalsContact OD2-CZ 3.3Å; D424-R544 IonicContact OD2-NE 2.64Å; D424-R544 PolarHBondContact OD2-NE 3.4Å; D424-R544 VanDerWaalsContact OD2-NE 3.13Å; D424-R544 IonicContact OD2-NH2 3.84Å; D424-R544 PolarHBondContact OD2-NH2 2.76Å; I428-R544 HydrophobicContact CG2-CB 4.35Å; I428-R544 HydrophobicContact CG2-CG 4.03Å; K542-R544 PolarHBondContact O-N 3.46Å; R544-Q547 VanDerWaalsContact C-OE1 3.28Å; R544-Q547 HydrophobicContact CB-CB 4.33Å; R544-Q547 PolarHBondContact O-N 3.2Å; R544-Q547 VanDerWaalsContact O-N 3.11Å; R544-Q547 PolarHBondContact O-OE1 2.78Å; R544-C548 PolarHBondContact O-N 3.37Å; R544-C548 PolarHBondContact O-SG 3.42Å
545	A	97.2	Very high	94.7	Very high	25 Å²	25	65.8 Å²	65.8	21%	0.207	33%	0.327	C	S	.	.	H	α-helix	trans	-59.2	-46.3	-168.6	0	0	0	0	0	113.9	K542 L543 Q547 C548 Q549	K542-A545 HydrophobicContact CB-CB 3.85Å; K542-A545 WeakPolarHBondContact O-CB 3.33Å; K542-A545 PolarHBondContact O-N 3.27Å; L543-A545 PolarHBondContact O-N 3.11Å; A545-Q547 VanDerWaalsContact C-N 3.32Å; A545-Q547 PolarHBondContact O-N 3.01Å; A545-C548 PolarHBondContact O-N 2.82Å; A545-Q549 VanDerWaalsContact O-CG 3.26Å; A545-Q549 WeakPolarHBondContact O-CG 3.36Å; A545-Q549 PolarHBondContact O-N 3.41Å
546	P	97.4	Very high	94.8	Very high	79 Å²	79	62.1 Å²	62.1	51%	0.513	32%	0.315	S	S	.	.	H	α-helix	trans	-54.7	-48.1	174	-26.5	36.7	0	0	0	112.3	Y401 C548 Q549 F550	Y401-P546 WeakPolarHBondContact OH-CA 3.17Å; Y401-P546 WeakPolarHBondContact OH-CB 3.32Å; Y401-P546 PolarHBondContact OH-O 3.06Å; P546-C548 PolarHBondContact O-N 3.14Å; P546-Q549 WeakPolarHBondContact O-CB 3.31Å; P546-Q549 PolarHBondContact O-N 3.44Å; P546-Q549 VanDerWaalsContact O-N 3.14Å; P546-F550 PolarHBondContact O-N 2.85Å
547	Q	98.2	Very high	95.4	Very high	41 Å²	41	58.9 Å²	58.9	19%	0.192	30%	0.301	C	S	.	.	H	α-helix	trans	-63.7	-42.8	-176.3	-63.6	82.8	-15.9	0	0	111.5	Y401 Y402 D424 R544 A545 Q549 F550 W551	Y401-Q547 HydrophobicContact CE1-CB 4.23Å; Y401-Q547 HydrophobicContact CE1-CG 3.96Å; Y401-Q547 WeakPolarHBondContact OH-CA 3.34Å; Y401-Q547 PolarHBondContact OH-N 3.09Å; Y402-Q547 HydrophobicContact CE1-CG 4.29Å; D424-Q547 WeakPolarHBondContact OD2-CB 2.97Å; D424-Q547 WeakPolarHBondContact OD2-CG 3.13Å; R544-Q547 VanDerWaalsContact C-OE1 3.28Å; R544-Q547 HydrophobicContact CB-CB 4.33Å; R544-Q547 PolarHBondContact O-N 3.2Å; R544-Q547 VanDerWaalsContact O-N 3.11Å; R544-Q547 PolarHBondContact O-OE1 2.78Å; A545-Q547 VanDerWaalsContact C-N 3.32Å; A545-Q547 PolarHBondContact O-N 3.01Å; Q547-Q549 VanDerWaalsContact C-N 3.35Å; Q547-Q549 PolarHBondContact O-N 3.31Å; Q547-F550 WeakPolarHBondContact O-CB 3.41Å; Q547-F550 PolarHBondContact O-N 3.17Å; Q547-W551 VanDerWaalsContact O-CD1 3.26Å; Q547-W551 PolarHBondContact O-N 2.81Å
548	C	97.9	Very high	95.7	Very high	7 Å²	7	57 Å²	57	5%	0.047	29%	0.287	C	S	.	.	H	α-helix	trans	-72.7	-26.6	176.3	-59	0	0	0	0	113.1	C429 R544 A545 P546 N552	C429-C548 WeakPolarHBondContact CA-SG 3.2Å; C429-C548 HydrophobicContact CB-CB 3.69Å; C429-C548 WeakPolarHBondContact CB-SG 3.25Å; C429-C548 WeakPolarHBondContact SG-CA 3.46Å; C429-C548 WeakPolarHBondContact SG-CB 3.45Å; C429-C548 CovalentContact SG-SG 2.05Å; C429-C548 PolarHBondContact SG-SG 2.93Å; R544-C548 PolarHBondContact O-N 3.37Å; R544-C548 PolarHBondContact O-SG 3.42Å; A545-C548 PolarHBondContact O-N 2.82Å; P546-C548 PolarHBondContact O-N 3.14Å; C548-N552 WeakPolarHBondContact O-CB 3.26Å; C548-N552 PolarHBondContact O-N 3.04Å
549	Q	97.1	Very high	95.4	Very high	88 Å²	88	55.4 Å²	55.4	41%	0.411	28%	0.284	S	S	.	.	H	α-helix	trans	-68.7	-36.8	168.6	-68.6	-56.4	-58.2	0	0	111.6	A545 P546 Q547 L553 F554	A545-Q549 VanDerWaalsContact O-CG 3.26Å; A545-Q549 WeakPolarHBondContact O-CG 3.36Å; A545-Q549 PolarHBondContact O-N 3.41Å; P546-Q549 WeakPolarHBondContact O-CB 3.31Å; P546-Q549 PolarHBondContact O-N 3.44Å; P546-Q549 VanDerWaalsContact O-N 3.14Å; Q547-Q549 VanDerWaalsContact C-N 3.35Å; Q547-Q549 PolarHBondContact O-N 3.31Å; Q549-L553 WeakPolarHBondContact O-CB 3.37Å; Q549-L553 PolarHBondContact O-N 3.17Å; Q549-F554 PolarHBondContact O-N 3Å
550	F	98.1	Very high	95	Very high	10 Å²	10	59.5 Å²	59.5	4%	0.044	30%	0.302	C	S	.	.	I	π-helix	trans	-58	-54	171.7	171.2	-90.6	0	0	0	110.4	A397 I398 Y401 Y402 P546 Q547 F554 F555	A397-F550 HydrophobicContact CB-CE2 4.35Å; A397-F550 HydrophobicContact CB-CZ 4.43Å; I398-F550 HydrophobicContact CG1-CE1 4.13Å; I398-F550 HydrophobicContact CG1-CZ 3.99Å; Y401-F550 HydrophobicContact CD1-CB 3.97Å; Y401-F550 HydrophobicContact CD1-CD1 4.11Å; Y401-F550 AromaticContact CD1-CD2 3.98Å; Y401-F550 HydrophobicContact CD1-CD2 3.98Å; Y401-F550 AromaticContact CD1-CG 3.75Å; Y401-F550 HydrophobicContact CD1-CG 3.75Å; Y401-F550 HydrophobicContact CD2-CB 4.19Å; Y401-F550 AromaticContact CD2-CD2 3.69Å; Y401-F550 HydrophobicContact CD2-CD2 3.69Å; Y401-F550 HydrophobicContact CD2-CE2 4.4Å; Y401-F550 HydrophobicContact CD2-CG 4.13Å; Y401-F550 HydrophobicContact CE1-CB 3.77Å; Y401-F550 HydrophobicContact CE1-CG 4.08Å; Y401-F550 HydrophobicContact CE2-CB 4Å; Y401-F550 HydrophobicContact CE2-CD2 4.33Å; Y401-F550 HydrophobicContact CE2-CG 4.44Å; Y401-F550 HydrophobicContact CG-CB 4.19Å; Y401-F550 HydrophobicContact CG-CD1 4.43Å; Y401-F550 AromaticContact CG-CD2 3.51Å; Y401-F550 HydrophobicContact CG-CD2 3.51Å; Y401-F550 AromaticContact CG-CE2 3.94Å; Y401-F550 HydrophobicContact CG-CE2 3.94Å; Y401-F550 AromaticContact CG-CG 3.8Å; Y401-F550 HydrophobicContact CG-CG 3.8Å; Y402-F550 HydrophobicContact CE2-CD1 4.28Å; Y402-F550 HydrophobicContact CE2-CE1 4.31Å; P546-F550 PolarHBondContact O-N 2.85Å; Q547-F550 WeakPolarHBondContact O-CB 3.41Å; Q547-F550 PolarHBondContact O-N 3.17Å; F550-F554 AromaticContact CD2-CD1 3.62Å; F550-F554 HydrophobicContact CD2-CD1 3.62Å; F550-F554 HydrophobicContact CD2-CE1 4.29Å; F550-F554 HydrophobicContact CD2-CG 4.47Å; F550-F554 AromaticContact CE2-CD1 3.59Å; F550-F554 HydrophobicContact CE2-CD1 3.59Å; F550-F554 AromaticContact CE2-CE1 3.9Å; F550-F554 HydrophobicContact CE2-CE1 3.9Å; F550-F554 PolarHBondContact O-N 3.39Å; F550-F554 VanDerWaalsContact O-N 3.17Å; F550-F555 HydrophobicContact CD1-CB 4.42Å; F550-F555 HydrophobicContact CE1-CB 4.1Å; F550-F555 AromaticContact CE1-CD2 3.94Å; F550-F555 HydrophobicContact CE1-CD2 3.94Å; F550-F555 HydrophobicContact CE1-CG 4.26Å; F550-F555 HydrophobicContact CZ-CB 4.31Å; F550-F555 AromaticContact CZ-CD2 3.75Å; F550-F555 HydrophobicContact CZ-CD2 3.75Å; F550-F555 HydrophobicContact CZ-CG 4.42Å; F550-F555 WeakPolarHBondContact O-CB 3.48Å; F550-F555 PolarHBondContact O-N 3.09Å
551	W	96.8	Very high	94.5	Very high	14 Å²	14	64.3 Å²	64.3	5%	0.053	33%	0.325	C	S	.	.	I	π-helix	trans	-69.2	-38.6	-178.3	-69.6	124.9	0	0	0	114.8	F387 I398 Y402 V421 H425 Q547 F555 P556	F387-W551 HydrophobicContact CE1-CH2 4.41Å; F387-W551 AromaticContact CZ-CH2 3.99Å; F387-W551 HydrophobicContact CZ-CH2 3.99Å; I398-W551 HydrophobicContact CD1-CH2 3.72Å; I398-W551 HydrophobicContact CD1-CZ3 4.11Å; I398-W551 HydrophobicContact CG1-CH2 3.68Å; I398-W551 HydrophobicContact CG1-CZ3 4.11Å; I398-W551 HydrophobicContact CG2-CH2 4.28Å; Y402-W551 AromaticContact CE2-CZ2 3.8Å; Y402-W551 HydrophobicContact CE2-CZ2 3.8Å; Y402-W551 AromaticContact CZ-NE1 3.67Å; Y402-W551 PolarHBondContact OH-NE1 2.93Å; V421-W551 HydrophobicContact CG1-CH2 4.32Å; V421-W551 HydrophobicContact CG1-CZ2 4.05Å; H425-W551 HydrophobicContact CB-CD2 4.17Å; H425-W551 HydrophobicContact CB-CE3 4.48Å; H425-W551 HydrophobicContact CB-CH2 4.17Å; H425-W551 HydrophobicContact CB-CZ2 3.84Å; H425-W551 HydrophobicContact CB-CZ3 4.47Å; H425-W551 AromaticContact ND1-CD2 3.74Å; H425-W551 AromaticContact ND1-CE3 3.32Å; H425-W551 VanDerWaalsContact ND1-CE3 3.32Å; H425-W551 AromaticContact ND1-CH2 3.96Å; H425-W551 AromaticContact ND1-CZ3 3.44Å; H425-W551 WeakPolarHBondContact ND1-CZ3 3.15Å; Q547-W551 VanDerWaalsContact O-CD1 3.26Å; Q547-W551 PolarHBondContact O-N 2.81Å; W551-F555 HydrophobicContact CE3-CB 4.03Å; W551-F555 AromaticContact CE3-CD1 3.77Å; W551-F555 HydrophobicContact CE3-CD1 3.77Å; W551-F555 HydrophobicContact CE3-CD2 4.37Å; W551-F555 HydrophobicContact CE3-CE1 4.32Å; W551-F555 AromaticContact CE3-CG 3.79Å; W551-F555 HydrophobicContact CE3-CG 3.79Å; W551-F555 HydrophobicContact CZ3-CB 4.47Å; W551-F555 AromaticContact CZ3-CD1 3.72Å; W551-F555 HydrophobicContact CZ3-CD1 3.72Å; W551-F555 AromaticContact CZ3-CD2 3.97Å; W551-F555 HydrophobicContact CZ3-CD2 3.97Å; W551-F555 AromaticContact CZ3-CE1 3.83Å; W551-F555 HydrophobicContact CZ3-CE1 3.83Å; W551-F555 HydrophobicContact CZ3-CE2 4.09Å; W551-F555 AromaticContact CZ3-CG 3.78Å; W551-F555 HydrophobicContact CZ3-CG 3.78Å; W551-F555 HydrophobicContact CZ3-CZ 4.01Å; W551-P556 WeakPolarHBondContact O-CD 3.22Å; W551-P556 WeakPolarHBondContact O-CG 3.39Å
552	N	93.3	Very high	93.8	Very high	49 Å²	49	62.7 Å²	62.7	26%	0.262	31%	0.312	S	S	.	.	I	π-helix	trans	-87.4	-27	-172.7	-63	-3.1	0	0	0	112.8	E433 C548	E433-N552 PolarHBondContact OE2-ND2 3.19Å; E433-N552 VanDerWaalsContact OE2-ND2 3.09Å; C548-N552 WeakPolarHBondContact O-CB 3.26Å; C548-N552 PolarHBondContact O-N 3.04Å
553	L	93.8	Very high	92.2	Very high	96 Å²	96	59.1 Å²	59.1	50%	0.503	31%	0.308	S	S	.	.	I	π-helix	trans	-119.9	-40.7	-173.8	-61.9	-169.7	0	0	0	115.1	Q549 K557	Q549-L553 WeakPolarHBondContact O-CB 3.37Å; Q549-L553 PolarHBondContact O-N 3.17Å; L553-K557 WeakPolarHBondContact O-CD 3.43Å; L553-K557 WeakPolarHBondContact O-CE 3.38Å; L553-K557 WeakPolarHBondContact O-CG 3.39Å
554	F	96.4	Very high	90.2	Very high	107 Å²	107	64.5 Å²	64.5	47%	0.469	34%	0.337	S	S	.	.	I	π-helix	trans	-88.2	-54.5	-173.7	176.7	-100.9	0	0	0	111.6	A397 Q549 F550 K557 V558	A397-F554 HydrophobicContact CB-CE1 4.13Å; Q549-F554 PolarHBondContact O-N 3Å; F550-F554 AromaticContact CD2-CD1 3.62Å; F550-F554 HydrophobicContact CD2-CD1 3.62Å; F550-F554 HydrophobicContact CD2-CE1 4.29Å; F550-F554 HydrophobicContact CD2-CG 4.47Å; F550-F554 AromaticContact CE2-CD1 3.59Å; F550-F554 HydrophobicContact CE2-CD1 3.59Å; F550-F554 AromaticContact CE2-CE1 3.9Å; F550-F554 HydrophobicContact CE2-CE1 3.9Å; F550-F554 PolarHBondContact O-N 3.39Å; F550-F554 VanDerWaalsContact O-N 3.17Å; F554-K557 WeakPolarHBondContact O-CB 3.05Å; F554-K557 PolarHBondContact O-N 3.05Å; F554-V558 HydrophobicContact CD1-CG2 3.92Å; F554-V558 HydrophobicContact CE1-CG2 3.45Å; F554-V558 VanDerWaalsContact CE1-CG2 3.45Å; F554-V558 HydrophobicContact CE2-CG2 4.14Å; F554-V558 HydrophobicContact CG-CG2 4.46Å; F554-V558 HydrophobicContact CZ-CG2 3.57Å; F554-V558 PolarHBondContact O-N 2.94Å; F554-V558 VanDerWaalsContact O-N 3.12Å
555	F	94.9	Very high	88.1	Confident	4 Å²	4	68.5 Å²	68.5	2%	0.018	36%	0.36	C	S	.	.	H	α-helix	trans	-57.8	-43.1	-174.8	-170.6	-100	0	0	0	113.5	V390 I398 F550 W551 K557 V558 E559	V390-F555 HydrophobicContact CG1-CE2 4.17Å; V390-F555 HydrophobicContact CG1-CZ 3.67Å; V390-F555 HydrophobicContact CG2-CE1 4.45Å; V390-F555 HydrophobicContact CG2-CZ 3.97Å; I398-F555 HydrophobicContact CD1-CE2 3.6Å; I398-F555 HydrophobicContact CD1-CZ 3.84Å; I398-F555 HydrophobicContact CG1-CD2 4.12Å; I398-F555 HydrophobicContact CG1-CE2 3.6Å; I398-F555 HydrophobicContact CG1-CZ 4.33Å; F550-F555 HydrophobicContact CD1-CB 4.42Å; F550-F555 HydrophobicContact CE1-CB 4.1Å; F550-F555 AromaticContact CE1-CD2 3.94Å; F550-F555 HydrophobicContact CE1-CD2 3.94Å; F550-F555 HydrophobicContact CE1-CG 4.26Å; F550-F555 HydrophobicContact CZ-CB 4.31Å; F550-F555 AromaticContact CZ-CD2 3.75Å; F550-F555 HydrophobicContact CZ-CD2 3.75Å; F550-F555 HydrophobicContact CZ-CG 4.42Å; F550-F555 WeakPolarHBondContact O-CB 3.48Å; F550-F555 PolarHBondContact O-N 3.09Å; W551-F555 HydrophobicContact CE3-CB 4.03Å; W551-F555 AromaticContact CE3-CD1 3.77Å; W551-F555 HydrophobicContact CE3-CD1 3.77Å; W551-F555 HydrophobicContact CE3-CD2 4.37Å; W551-F555 HydrophobicContact CE3-CE1 4.32Å; W551-F555 AromaticContact CE3-CG 3.79Å; W551-F555 HydrophobicContact CE3-CG 3.79Å; W551-F555 HydrophobicContact CZ3-CB 4.47Å; W551-F555 AromaticContact CZ3-CD1 3.72Å; W551-F555 HydrophobicContact CZ3-CD1 3.72Å; W551-F555 AromaticContact CZ3-CD2 3.97Å; W551-F555 HydrophobicContact CZ3-CD2 3.97Å; W551-F555 AromaticContact CZ3-CE1 3.83Å; W551-F555 HydrophobicContact CZ3-CE1 3.83Å; W551-F555 HydrophobicContact CZ3-CE2 4.09Å; W551-F555 AromaticContact CZ3-CG 3.78Å; W551-F555 HydrophobicContact CZ3-CG 3.78Å; W551-F555 HydrophobicContact CZ3-CZ 4.01Å; F555-K557 PolarHBondContact O-N 2.83Å; F555-V558 WeakPolarHBondContact O-CA 3.3Å; F555-V558 WeakPolarHBondContact O-CB 3.25Å; F555-V558 PolarHBondContact O-N 3.42Å; F555-E559 HydrophobicContact CD1-CG 4.16Å; F555-E559 HydrophobicContact CE1-CG 3.76Å; F555-E559 WeakPolarHBondContact CE1-OE2 3.32Å; F555-E559 HydrophobicContact CZ-CG 4.09Å; F555-E559 PolarHBondContact O-N 2.97Å
556	P	91.8	Very high	86.1	Confident	59 Å²	59	72.3 Å²	72.3	38%	0.383	38%	0.377	S	S	.	.	H	α-helix	trans	-62.1	-29.8	177.3	-24.1	36.3	0	0	0	113	W551 Q560	W551-P556 WeakPolarHBondContact O-CD 3.22Å; W551-P556 WeakPolarHBondContact O-CG 3.39Å; P556-Q560 WeakPolarHBondContact O-CB 3.49Å; P556-Q560 PolarHBondContact O-N 3.25Å
557	K	92.2	Very high	84.1	Confident	117 Å²	117	74.9 Å²	74.9	51%	0.509	38%	0.382	S	S	.	.	H	α-helix	trans	-73.6	-37	174.2	-64	176.3	-177.1	174.4	0	111.7	L553 F554 F555 E559 Q560 M561	L553-K557 WeakPolarHBondContact O-CD 3.43Å; L553-K557 WeakPolarHBondContact O-CE 3.38Å; L553-K557 WeakPolarHBondContact O-CG 3.39Å; F554-K557 WeakPolarHBondContact O-CB 3.05Å; F554-K557 PolarHBondContact O-N 3.05Å; F555-K557 PolarHBondContact O-N 2.83Å; K557-E559 VanDerWaalsContact C-N 3.33Å; K557-Q560 PolarHBondContact O-N 2.99Å; K557-M561 WeakPolarHBondContact O-CB 3.47Å; K557-M561 VanDerWaalsContact O-CG 3.23Å; K557-M561 WeakPolarHBondContact O-CG 3.21Å; K557-M561 PolarHBondContact O-N 3.09Å
558	V	90.7	Very high	82	Confident	15 Å²	15	77.3 Å²	77.3	9%	0.091	40%	0.4	C	S	.	.	H	α-helix	trans	-61	-47.4	173.3	178.1	0	0	0	0	109.4	L393 F554 F555 Q560 M561 T562	L393-V558 HydrophobicContact CG-CG1 4.44Å; F554-V558 HydrophobicContact CD1-CG2 3.92Å; F554-V558 HydrophobicContact CE1-CG2 3.45Å; F554-V558 VanDerWaalsContact CE1-CG2 3.45Å; F554-V558 HydrophobicContact CE2-CG2 4.14Å; F554-V558 HydrophobicContact CG-CG2 4.46Å; F554-V558 HydrophobicContact CZ-CG2 3.57Å; F554-V558 PolarHBondContact O-N 2.94Å; F554-V558 VanDerWaalsContact O-N 3.12Å; F555-V558 WeakPolarHBondContact O-CA 3.3Å; F555-V558 WeakPolarHBondContact O-CB 3.25Å; F555-V558 PolarHBondContact O-N 3.42Å; V558-Q560 PolarHBondContact O-N 3.08Å; V558-M561 PolarHBondContact O-N 3.48Å; V558-T562 HydrophobicContact CG1-CG2 4.24Å; V558-T562 VanDerWaalsContact O-CB 3.3Å; V558-T562 WeakPolarHBondContact O-CB 3.15Å; V558-T562 VanDerWaalsContact O-CG2 3.25Å; V558-T562 WeakPolarHBondContact O-CG2 3.22Å; V558-T562 PolarHBondContact O-N 3.23Å; V558-T562 PolarHBondContact O-OG1 2.88Å
559	E	87.4	Confident	80	Confident	80 Å²	80	80.6 Å²	80.6	37%	0.374	42%	0.415	S	S	.	.	H	α-helix	trans	-59.9	-46.5	175.2	-68.2	-169	111.1	0	0	111.7	F555 K557 M561 T562 G563	F555-E559 HydrophobicContact CD1-CG 4.16Å; F555-E559 HydrophobicContact CE1-CG 3.76Å; F555-E559 WeakPolarHBondContact CE1-OE2 3.32Å; F555-E559 HydrophobicContact CZ-CG 4.09Å; F555-E559 PolarHBondContact O-N 2.97Å; K557-E559 VanDerWaalsContact C-N 3.33Å; E559-M561 VanDerWaalsContact C-N 3.33Å; E559-M561 PolarHBondContact O-N 3.34Å; E559-T562 CarbonylContact O-C 3.6Å; E559-T562 PolarHBondContact O-N 2.96Å; E559-G563 WeakPolarHBondContact O-CA 3.11Å; E559-G563 PolarHBondContact O-N 3.41Å
560	Q	85.8	Confident	78.2	Confident	160 Å²	160	82.7 Å²	82.7	75%	0.748	43%	0.425	S	S	*	.	H	α-helix	trans	-60.4	-39.5	177.4	-171.8	-177.9	19.8	0	0	113.2	P556 K557 V558	P556-Q560 WeakPolarHBondContact O-CB 3.49Å; P556-Q560 PolarHBondContact O-N 3.25Å; K557-Q560 PolarHBondContact O-N 2.99Å; V558-Q560 PolarHBondContact O-N 3.08Å
561	M	85.3	Confident	76.6	Confident	158 Å²	158	88.8 Å²	88.8	78%	0.778	45%	0.453	S	S	*	.	H	α-helix	trans	-79.6	-20	-179	-70	178.6	-175.7	0	0	113.4	K557 V558 E559	K557-M561 WeakPolarHBondContact O-CB 3.47Å; K557-M561 VanDerWaalsContact O-CG 3.23Å; K557-M561 WeakPolarHBondContact O-CG 3.21Å; K557-M561 PolarHBondContact O-N 3.09Å; V558-M561 PolarHBondContact O-N 3.48Å; E559-M561 VanDerWaalsContact C-N 3.33Å; E559-M561 PolarHBondContact O-N 3.34Å
562	T	81.8	Confident	75.5	Confident	35 Å²	35	96 Å²	96	22%	0.215	48%	0.481	C	S	.	.	H	α-helix	trans	-114.2	-4.1	-176	63.9	0	0	0	0	113.6	S391 L393 V558 E559 N564	S391-T562 WeakPolarHBondContact CB-OG1 3.2Å; S391-T562 VanDerWaalsContact OG-CB 3.32Å; S391-T562 WeakPolarHBondContact OG-CB 3.22Å; S391-T562 PolarHBondContact OG-OG1 2.67Å; L393-T562 HydrophobicContact CB-CG2 4.06Å; L393-T562 HydrophobicContact CD2-CG2 3.57Å; L393-T562 HydrophobicContact CG-CG2 4.24Å; V558-T562 HydrophobicContact CG1-CG2 4.24Å; V558-T562 VanDerWaalsContact O-CB 3.3Å; V558-T562 WeakPolarHBondContact O-CB 3.15Å; V558-T562 VanDerWaalsContact O-CG2 3.25Å; V558-T562 WeakPolarHBondContact O-CG2 3.22Å; V558-T562 PolarHBondContact O-N 3.23Å; V558-T562 PolarHBondContact O-OG1 2.88Å; E559-T562 CarbonylContact O-C 3.6Å; E559-T562 PolarHBondContact O-N 2.96Å; T562-N564 PolarHBondContact O-N 3.37Å
563	G	65.5	Low	74	Confident	42 Å²	42	98.1 Å²	98.1	43%	0.433	49%	0.487	S	S	.	.	S	Bend	trans	-54.3	132.9	172.7	0	0	0	0	0	109.1	E559 I565	E559-G563 WeakPolarHBondContact O-CA 3.11Å; E559-G563 PolarHBondContact O-N 3.41Å; G563-I565 PolarHBondContact O-N 3.49Å; G563-I565 VanDerWaalsContact O-N 3.1Å
564	N	55.7	Low	72.8	Confident	120 Å²	120	95.6 Å²	95.6	64%	0.642	48%	0.481	S	S	*	.			trans	-52.5	121.6	-172.1	-86	-26	0	0	0	110.1	T562 D566 E567	T562-N564 PolarHBondContact O-N 3.37Å; N564-D566 PolarHBondContact O-N 2.72Å; N564-E567 PolarHBondContact O-N 3.25Å
565	I	53.5	Low	71.7	Confident	132 Å²	132	91.9 Å²	91.9	68%	0.677	47%	0.473	S	S	*	.	H	α-helix	trans	-48.9	-31.1	174	-69.9	167.8	0	0	0	110.6	G563 E567 T568 E569	G563-I565 PolarHBondContact O-N 3.49Å; G563-I565 VanDerWaalsContact O-N 3.1Å; I565-E567 PolarHBondContact O-N 3.3Å; I565-T568 PolarHBondContact O-N 2.76Å; I565-E569 WeakPolarHBondContact O-CA 3.37Å; I565-E569 WeakPolarHBondContact O-CB 3.45Å; I565-E569 PolarHBondContact O-N 3.34Å
566	D	55.6	Low	71	Confident	106 Å²	106	96 Å²	96	57%	0.567	49%	0.49	S	S	*	.	H	α-helix	trans	-59.8	-38.1	179.2	-71.2	-22.3	0	0	0	114.7	N564 Q570	N564-D566 PolarHBondContact O-N 2.72Å; D566-Q570 WeakPolarHBondContact O-CB 3.3Å; D566-Q570 VanDerWaalsContact O-CG 3.25Å; D566-Q570 WeakPolarHBondContact O-CG 3.41Å; D566-Q570 PolarHBondContact O-N 3Å
567	E	55	Low	70.2	Confident	132 Å²	132	98.7 Å²	98.7	62%	0.617	50%	0.498	S	S	*	.	H	α-helix	trans	-79.2	-40.7	-177.3	-150.9	169.9	-148.9	0	0	110.4	N564 I565 E569 Q570 E571	N564-E567 PolarHBondContact O-N 3.25Å; I565-E567 PolarHBondContact O-N 3.3Å; E567-E569 VanDerWaalsContact C-N 3.28Å; E567-E569 PolarHBondContact O-N 2.65Å; E567-Q570 PolarHBondContact O-N 2.74Å; E567-E571 WeakPolarHBondContact O-CG 3.46Å; E567-E571 PolarHBondContact O-N 2.94Å
568	T	54.3	Low	69.7	Low	92 Å²	92	101.6 Å²	101.6	56%	0.564	51%	0.506	S	S	*	.	H	α-helix	trans	-63.7	-36.5	170.8	-52.5	0	0	0	0	110.9	I565 W572	I565-T568 PolarHBondContact O-N 2.76Å; T568-W572 WeakPolarHBondContact O-CB 3.31Å; T568-W572 PolarHBondContact O-N 3.42Å
569	E	56	Low	69.6	Low	77 Å²	77	107.7 Å²	107.7	36%	0.36	53%	0.527	S	S	.	.	H	α-helix	trans	-71.1	-35.4	174.9	-173	-179.6	164.5	0	0	111.5	I565 E567 K573	I565-E569 WeakPolarHBondContact O-CA 3.37Å; I565-E569 WeakPolarHBondContact O-CB 3.45Å; I565-E569 PolarHBondContact O-N 3.34Å; E567-E569 VanDerWaalsContact C-N 3.28Å; E567-E569 PolarHBondContact O-N 2.65Å; E569-K573 HydrophobicContact CG-CD 4.18Å; E569-K573 WeakPolarHBondContact O-CB 3.47Å; E569-K573 WeakPolarHBondContact O-CG 3.33Å; E569-K573 PolarHBondContact O-N 3.1Å; E569-K573 WeakPolarHBondContact OE1-CE 3.23Å; E569-K573 IonicContact OE1-NZ 2.56Å; E569-K573 PolarHBondContact OE1-NZ 2.89Å
570	Q	58	Low	69.2	Low	131 Å²	131	106 Å²	106	61%	0.612	52%	0.524	S	S	*	.	H	α-helix	trans	-67.2	-46	172.6	-82.4	-179.2	9.5	0	0	111.9	D566 E567 W572 K573 A574	D566-Q570 WeakPolarHBondContact O-CB 3.3Å; D566-Q570 VanDerWaalsContact O-CG 3.25Å; D566-Q570 WeakPolarHBondContact O-CG 3.41Å; D566-Q570 PolarHBondContact O-N 3Å; E567-Q570 PolarHBondContact O-N 2.74Å; Q570-W572 VanDerWaalsContact C-N 3.33Å; Q570-W572 PolarHBondContact O-N 2.77Å; Q570-K573 PolarHBondContact O-N 2.85Å; Q570-A574 VanDerWaalsContact O-CB 3.32Å; Q570-A574 WeakPolarHBondContact O-CB 3.36Å; Q570-A574 PolarHBondContact O-N 3.47Å
571	E	65.3	Low	68.9	Low	139 Å²	139	103.3 Å²	103.3	65%	0.65	52%	0.515	S	S	*	.	H	α-helix	trans	-62.9	-41.5	174.6	-73.6	-171.7	158.7	0	0	111.5	E567 A574 G575	E567-E571 WeakPolarHBondContact O-CG 3.46Å; E567-E571 PolarHBondContact O-N 2.94Å; E571-A574 PolarHBondContact O-N 2.82Å; E571-G575 PolarHBondContact O-N 2.74Å
572	W	72.8	Confident	68.9	Low	166 Å²	166	103 Å²	103	63%	0.629	51%	0.506	S	S	*	.	H	α-helix	trans	-64	-44.6	174	-176.2	89.7	0	0	0	111.5	T568 Q570 A574 G575 F576	T568-W572 WeakPolarHBondContact O-CB 3.31Å; T568-W572 PolarHBondContact O-N 3.42Å; Q570-W572 VanDerWaalsContact C-N 3.33Å; Q570-W572 PolarHBondContact O-N 2.77Å; W572-A574 PolarHBondContact O-N 3.39Å; W572-G575 PolarHBondContact O-N 3.48Å; W572-F576 HydrophobicContact CH2-CD2 4.21Å; W572-F576 HydrophobicContact CH2-CG 4.33Å; W572-F576 HydrophobicContact CZ2-CD2 4.32Å; W572-F576 HydrophobicContact CZ3-CB 4.44Å; W572-F576 WeakPolarHBondContact O-CB 3.26Å; W572-F576 PolarHBondContact O-N 3.38Å
573	K	62.5	Low	68.8	Low	92 Å²	92	104.5 Å²	104.5	40%	0.4	51%	0.512	S	S	.	.	H	α-helix	trans	-61.4	-43.6	175.2	-80.5	169.2	-177.8	163.3	0	111.2	E569 Q570 F576 H577	E569-K573 HydrophobicContact CG-CD 4.18Å; E569-K573 WeakPolarHBondContact O-CB 3.47Å; E569-K573 WeakPolarHBondContact O-CG 3.33Å; E569-K573 PolarHBondContact O-N 3.1Å; E569-K573 WeakPolarHBondContact OE1-CE 3.23Å; E569-K573 IonicContact OE1-NZ 2.56Å; E569-K573 PolarHBondContact OE1-NZ 2.89Å; Q570-K573 PolarHBondContact O-N 2.85Å; K573-F576 PolarHBondContact O-N 2.83Å; K573-H577 WeakPolarHBondContact O-CB 3.39Å; K573-H577 PolarHBondContact O-CD2 2.92Å; K573-H577 PolarHBondContact O-N 2.81Å
574	A	67.9	Low	69.4	Low	44 Å²	44	108.3 Å²	108.3	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-66.3	-41.3	176.6	0	0	0	0	0	111.9	Q570 E571 W572 H577 R578	Q570-A574 VanDerWaalsContact O-CB 3.32Å; Q570-A574 WeakPolarHBondContact O-CB 3.36Å; Q570-A574 PolarHBondContact O-N 3.47Å; E571-A574 PolarHBondContact O-N 2.82Å; W572-A574 PolarHBondContact O-N 3.39Å; A574-H577 PolarHBondContact O-N 3.4Å; A574-R578 WeakPolarHBondContact O-CB 3.43Å; A574-R578 WeakPolarHBondContact O-CG 3.38Å; A574-R578 PolarHBondContact O-N 3.36Å; A574-R578 PolarHBondContact O-NE 2.99Å
575	G	74.7	Confident	70.6	Confident	29 Å²	29	107.2 Å²	107.2	30%	0.299	51%	0.514	S	S	.	.	H	α-helix	trans	-60.9	-45.2	172.1	0	0	0	0	0	112.3	E571 W572 R578 W579	E571-G575 PolarHBondContact O-N 2.74Å; W572-G575 PolarHBondContact O-N 3.48Å; G575-R578 PolarHBondContact O-N 3.39Å; G575-W579 WeakPolarHBondContact O-CB 3.45Å; G575-W579 PolarHBondContact O-N 3.34Å
576	F	79.3	Confident	72.2	Confident	89 Å²	89	106.6 Å²	106.6	39%	0.39	50%	0.503	S	S	.	.	H	α-helix	trans	-63.7	-43.8	176.9	-179.5	-96.9	0	0	0	111.8	W572 K573 W579 S580	W572-F576 HydrophobicContact CH2-CD2 4.21Å; W572-F576 HydrophobicContact CH2-CG 4.33Å; W572-F576 HydrophobicContact CZ2-CD2 4.32Å; W572-F576 HydrophobicContact CZ3-CB 4.44Å; W572-F576 WeakPolarHBondContact O-CB 3.26Å; W572-F576 PolarHBondContact O-N 3.38Å; K573-F576 PolarHBondContact O-N 2.83Å; F576-W579 HydrophobicContact CD2-CE3 4.34Å; F576-W579 HydrophobicContact CE2-CE3 4.24Å; F576-W579 HydrophobicContact CE2-CZ3 4.13Å; F576-W579 PolarHBondContact O-N 2.91Å; F576-S580 VanDerWaalsContact O-CB 3.26Å; F576-S580 WeakPolarHBondContact O-CB 3.27Å; F576-S580 PolarHBondContact O-N 3.45Å
577	H	74.8	Confident	73.6	Confident	117 Å²	117	107.3 Å²	107.3	54%	0.542	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-42	175.6	-77.7	-56.5	0	0	0	112.4	K573 A574 S580 N581	K573-H577 WeakPolarHBondContact O-CB 3.39Å; K573-H577 PolarHBondContact O-CD2 2.92Å; K573-H577 PolarHBondContact O-N 2.81Å; A574-H577 PolarHBondContact O-N 3.4Å; H577-S580 PolarHBondContact O-N 3.3Å; H577-N581 WeakPolarHBondContact O-CB 3.46Å; H577-N581 VanDerWaalsContact O-CG 3.29Å; H577-N581 PolarHBondContact O-N 3.37Å; H577-N581 PolarHBondContact O-ND2 3.41Å
578	R	82.6	Confident	75.1	Confident	177 Å²	177	105.5 Å²	105.5	67%	0.668	50%	0.495	S	S	*	.	H	α-helix	trans	-60.8	-47.2	173.9	-78.2	-176.2	-72.5	-147.4	-1.1	111.7	A574 G575 N581 Y582	A574-R578 WeakPolarHBondContact O-CB 3.43Å; A574-R578 WeakPolarHBondContact O-CG 3.38Å; A574-R578 PolarHBondContact O-N 3.36Å; A574-R578 PolarHBondContact O-NE 2.99Å; G575-R578 PolarHBondContact O-N 3.39Å; R578-N581 PolarHBondContact O-N 3.47Å; R578-Y582 WeakPolarHBondContact O-CB 3.35Å; R578-Y582 PolarHBondContact O-N 2.77Å
579	W	87.4	Confident	76.5	Confident	144 Å²	144	107.7 Å²	107.7	55%	0.545	50%	0.499	S	S	.	.	H	α-helix	trans	-62	-43.3	175.7	175.3	83.3	0	0	0	111.8	G575 F576 N581 Y582 M583	G575-W579 WeakPolarHBondContact O-CB 3.45Å; G575-W579 PolarHBondContact O-N 3.34Å; F576-W579 HydrophobicContact CD2-CE3 4.34Å; F576-W579 HydrophobicContact CE2-CE3 4.24Å; F576-W579 HydrophobicContact CE2-CZ3 4.13Å; F576-W579 PolarHBondContact O-N 2.91Å; W579-N581 PolarHBondContact O-N 2.95Å; W579-Y582 WeakPolarHBondContact O-CB 3.28Å; W579-Y582 PolarHBondContact O-N 2.95Å; W579-M583 HydrophobicContact CD2-CG 3.86Å; W579-M583 VanDerWaalsContact CE2-CG 3.42Å; W579-M583 HydrophobicContact CE3-CG 4.31Å; W579-M583 HydrophobicContact CG-CG 4.4Å; W579-M583 HydrophobicContact CH2-CG 4.03Å; W579-M583 HydrophobicContact CZ2-CG 3.54Å; W579-M583 HydrophobicContact CZ2-SD 4.11Å; W579-M583 HydrophobicContact CZ3-CG 4.39Å; W579-M583 WeakPolarHBondContact O-CB 3.48Å; W579-M583 VanDerWaalsContact O-CG 3.31Å; W579-M583 WeakPolarHBondContact O-CG 3.24Å; W579-M583 PolarHBondContact O-N 3.33Å
580	S	80.6	Confident	77.8	Confident	43 Å²	43	108.7 Å²	108.7	30%	0.301	50%	0.502	S	S	.	.	H	α-helix	trans	-64.3	-41.2	179.9	-173.8	0	0	0	0	111.9	F576 H577 M583 M584	F576-S580 VanDerWaalsContact O-CB 3.26Å; F576-S580 WeakPolarHBondContact O-CB 3.27Å; F576-S580 PolarHBondContact O-N 3.45Å; H577-S580 PolarHBondContact O-N 3.3Å; S580-M583 PolarHBondContact O-N 3.28Å; S580-M584 PolarHBondContact O-N 3.09Å
581	N	78.9	Confident	79	Confident	105 Å²	105	106.1 Å²	106.1	56%	0.561	49%	0.493	S	S	*	.	H	α-helix	trans	-64.5	-46	174.6	-72	-18.7	0	0	0	110.8	H577 R578 W579 M583 M584 D585	H577-N581 WeakPolarHBondContact O-CB 3.46Å; H577-N581 VanDerWaalsContact O-CG 3.29Å; H577-N581 PolarHBondContact O-N 3.37Å; H577-N581 PolarHBondContact O-ND2 3.41Å; R578-N581 PolarHBondContact O-N 3.47Å; W579-N581 PolarHBondContact O-N 2.95Å; N581-M583 VanDerWaalsContact C-N 3.3Å; N581-M583 PolarHBondContact O-N 3.17Å; N581-M584 VanDerWaalsContact O-CB 3.3Å; N581-M584 WeakPolarHBondContact O-CB 3.38Å; N581-M584 PolarHBondContact O-N 2.91Å; N581-M584 VanDerWaalsContact O-N 3.1Å; N581-D585 PolarHBondContact O-N 3.49Å
582	Y	84.4	Confident	79.7	Confident	150 Å²	150	103.4 Å²	103.4	59%	0.588	48%	0.483	S	S	*	.	H	α-helix	trans	-57.6	-42.2	174.8	175.9	-96.9	0	0	0	112.3	R578 W579 M584 D585 W586	R578-Y582 WeakPolarHBondContact O-CB 3.35Å; R578-Y582 PolarHBondContact O-N 2.77Å; W579-Y582 WeakPolarHBondContact O-CB 3.28Å; W579-Y582 PolarHBondContact O-N 2.95Å; Y582-M584 VanDerWaalsContact C-N 3.32Å; Y582-M584 PolarHBondContact O-N 3.38Å; Y582-D585 PolarHBondContact O-N 3.11Å; Y582-W586 WeakPolarHBondContact O-CB 3.25Å; Y582-W586 PolarHBondContact O-N 3.21Å
583	M	80.7	Confident	79.9	Confident	68 Å²	68	102.1 Å²	102.1	34%	0.335	48%	0.479	S	S	.	.	H	α-helix	trans	-67.4	-32.6	176.8	-74.5	-59	-60.1	0	0	112.7	W579 S580 N581 W586 K587	W579-M583 HydrophobicContact CD2-CG 3.86Å; W579-M583 VanDerWaalsContact CE2-CG 3.42Å; W579-M583 HydrophobicContact CE3-CG 4.31Å; W579-M583 HydrophobicContact CG-CG 4.4Å; W579-M583 HydrophobicContact CH2-CG 4.03Å; W579-M583 HydrophobicContact CZ2-CG 3.54Å; W579-M583 HydrophobicContact CZ2-SD 4.11Å; W579-M583 HydrophobicContact CZ3-CG 4.39Å; W579-M583 WeakPolarHBondContact O-CB 3.48Å; W579-M583 VanDerWaalsContact O-CG 3.31Å; W579-M583 WeakPolarHBondContact O-CG 3.24Å; W579-M583 PolarHBondContact O-N 3.33Å; S580-M583 PolarHBondContact O-N 3.28Å; N581-M583 VanDerWaalsContact C-N 3.3Å; N581-M583 PolarHBondContact O-N 3.17Å; M583-W586 HydrophobicContact CE-CE3 4.45Å; M583-K587 VanDerWaalsContact O-CB 3.23Å; M583-K587 WeakPolarHBondContact O-CB 2.93Å; M583-K587 PolarHBondContact O-N 2.97Å
584	M	78.1	Confident	80.5	Confident	122 Å²	122	100 Å²	100	60%	0.601	47%	0.474	S	S	*	.	H	α-helix	trans	-65.2	-46.7	173.4	-147.8	89.5	168.5	0	0	110.5	S580 N581 Y582 K587 N588	S580-M584 PolarHBondContact O-N 3.09Å; N581-M584 VanDerWaalsContact O-CB 3.3Å; N581-M584 WeakPolarHBondContact O-CB 3.38Å; N581-M584 PolarHBondContact O-N 2.91Å; N581-M584 VanDerWaalsContact O-N 3.1Å; Y582-M584 VanDerWaalsContact C-N 3.32Å; Y582-M584 PolarHBondContact O-N 3.38Å; M584-K587 PolarHBondContact O-N 2.7Å; M584-N588 VanDerWaalsContact O-CG 3.24Å; M584-N588 PolarHBondContact O-N 3.13Å; M584-N588 PolarHBondContact O-ND2 2.84Å
585	D	80.6	Confident	80.7	Confident	97 Å²	97	100.6 Å²	100.6	52%	0.519	48%	0.476	S	S	.	.	H	α-helix	trans	-63.9	-44.9	176.5	-75.5	-17.6	0	0	0	111.7	N581 Y582 K587 N588 Q589	N581-D585 PolarHBondContact O-N 3.49Å; Y582-D585 PolarHBondContact O-N 3.11Å; D585-K587 VanDerWaalsContact C-N 3.33Å; D585-K587 PolarHBondContact O-N 3.5Å; D585-N588 PolarHBondContact O-N 3.42Å; D585-Q589 WeakPolarHBondContact O-CG 3.46Å; D585-Q589 PolarHBondContact O-N 3.23Å
586	W	86.9	Confident	80.3	Confident	119 Å²	119	105 Å²	105	45%	0.451	49%	0.486	S	S	.	.	H	α-helix	trans	-59.2	-44.7	175.1	-176.3	90.6	0	0	0	111.4	Y582 M583 N588 Q589 F590	Y582-W586 WeakPolarHBondContact O-CB 3.25Å; Y582-W586 PolarHBondContact O-N 3.21Å; M583-W586 HydrophobicContact CE-CE3 4.45Å; W586-N588 VanDerWaalsContact C-N 3.33Å; W586-N588 PolarHBondContact O-N 3.06Å; W586-Q589 PolarHBondContact O-N 3.38Å; W586-F590 HydrophobicContact CE3-CB 4.3Å; W586-F590 HydrophobicContact CH2-CB 4.2Å; W586-F590 AromaticContact CH2-CD2 3.8Å; W586-F590 HydrophobicContact CH2-CD2 3.8Å; W586-F590 HydrophobicContact CH2-CE2 4.35Å; W586-F590 AromaticContact CH2-CG 3.95Å; W586-F590 HydrophobicContact CH2-CG 3.95Å; W586-F590 HydrophobicContact CZ2-CD2 4.04Å; W586-F590 HydrophobicContact CZ2-CG 4.46Å; W586-F590 HydrophobicContact CZ3-CB 4.09Å; W586-F590 HydrophobicContact CZ3-CD2 4.46Å; W586-F590 HydrophobicContact CZ3-CG 4.16Å; W586-F590 VanDerWaalsContact O-CB 3.3Å; W586-F590 WeakPolarHBondContact O-CB 3.48Å; W586-F590 PolarHBondContact O-N 3.47Å
587	K	85.6	Confident	79.3	Confident	121 Å²	121	106.5 Å²	106.5	53%	0.526	49%	0.493	S	S	.	.	H	α-helix	trans	-62.5	-40.7	177.1	-176.5	179.9	-179.7	-178.4	0	111.6	M583 M584 D585 F590 N591	M583-K587 VanDerWaalsContact O-CB 3.23Å; M583-K587 WeakPolarHBondContact O-CB 2.93Å; M583-K587 PolarHBondContact O-N 2.97Å; M584-K587 PolarHBondContact O-N 2.7Å; D585-K587 VanDerWaalsContact C-N 3.33Å; D585-K587 PolarHBondContact O-N 3.5Å; K587-F590 PolarHBondContact O-N 2.99Å; K587-N591 WeakPolarHBondContact O-CB 2.99Å; K587-N591 PolarHBondContact O-N 3.49Å; K587-N591 PolarHBondContact O-ND2 2.74Å
588	N	85.3	Confident	78.5	Confident	93 Å²	93	107.7 Å²	107.7	50%	0.497	50%	0.499	S	S	.	.	H	α-helix	trans	-63.8	-45.4	176	-70.8	-23.8	0	0	0	111.4	M584 D585 W586 F590 N591 D592	M584-N588 VanDerWaalsContact O-CG 3.24Å; M584-N588 PolarHBondContact O-N 3.13Å; M584-N588 PolarHBondContact O-ND2 2.84Å; D585-N588 PolarHBondContact O-N 3.42Å; W586-N588 VanDerWaalsContact C-N 3.33Å; W586-N588 PolarHBondContact O-N 3.06Å; N588-F590 VanDerWaalsContact C-N 3.35Å; N588-F590 PolarHBondContact O-N 2.94Å; N588-N591 PolarHBondContact O-N 3.49Å; N588-D592 WeakPolarHBondContact O-CB 3.39Å; N588-D592 PolarHBondContact O-N 3.27Å
589	Q	84.9	Confident	77.1	Confident	138 Å²	138	103.3 Å²	103.3	65%	0.645	50%	0.495	S	S	*	.	H	α-helix	trans	-63.3	-40.2	175.5	-70.8	178.2	7.9	0	0	112.3	D585 W586 D592 Y593	D585-Q589 WeakPolarHBondContact O-CG 3.46Å; D585-Q589 PolarHBondContact O-N 3.23Å; W586-Q589 PolarHBondContact O-N 3.38Å; Q589-D592 PolarHBondContact O-N 3.19Å; Q589-Y593 WeakPolarHBondContact O-CB 3.26Å; Q589-Y593 PolarHBondContact O-N 2.58Å
590	F	81.9	Confident	75.6	Confident	98 Å²	98	101.1 Å²	101.1	43%	0.43	50%	0.501	S	S	.	.	H	α-helix	trans	-64.5	-43.5	176.8	-176.5	-96.5	0	0	0	111.7	W586 K587 N588 Y593 T594	W586-F590 HydrophobicContact CE3-CB 4.3Å; W586-F590 HydrophobicContact CH2-CB 4.2Å; W586-F590 AromaticContact CH2-CD2 3.8Å; W586-F590 HydrophobicContact CH2-CD2 3.8Å; W586-F590 HydrophobicContact CH2-CE2 4.35Å; W586-F590 AromaticContact CH2-CG 3.95Å; W586-F590 HydrophobicContact CH2-CG 3.95Å; W586-F590 HydrophobicContact CZ2-CD2 4.04Å; W586-F590 HydrophobicContact CZ2-CG 4.46Å; W586-F590 HydrophobicContact CZ3-CB 4.09Å; W586-F590 HydrophobicContact CZ3-CD2 4.46Å; W586-F590 HydrophobicContact CZ3-CG 4.16Å; W586-F590 VanDerWaalsContact O-CB 3.3Å; W586-F590 WeakPolarHBondContact O-CB 3.48Å; W586-F590 PolarHBondContact O-N 3.47Å; K587-F590 PolarHBondContact O-N 2.99Å; N588-F590 VanDerWaalsContact C-N 3.35Å; N588-F590 PolarHBondContact O-N 2.94Å; F590-Y593 WeakPolarHBondContact O-CB 3.36Å; F590-Y593 PolarHBondContact O-N 2.67Å; F590-T594 HydrophobicContact CD1-CG2 4.36Å; F590-T594 HydrophobicContact CE1-CG2 3.89Å; F590-T594 HydrophobicContact CZ-CG2 4.01Å; F590-T594 PolarHBondContact O-N 3.14Å; F590-T594 PolarHBondContact O-OG1 2.93Å; F590-T594 VanDerWaalsContact O-OG1 3.11Å
591	N	83.6	Confident	74.3	Confident	78 Å²	78	106.3 Å²	106.3	42%	0.417	52%	0.522	S	S	.	.	H	α-helix	trans	-65.6	-37.1	175.9	-72.6	-17.4	0	0	0	112.5	K587 N588 Y593 T594 S595	K587-N591 WeakPolarHBondContact O-CB 2.99Å; K587-N591 PolarHBondContact O-N 3.49Å; K587-N591 PolarHBondContact O-ND2 2.74Å; N588-N591 PolarHBondContact O-N 3.49Å; N591-Y593 VanDerWaalsContact C-N 3.34Å; N591-T594 WeakPolarHBondContact CA-OG1 3.41Å; N591-T594 PolarHBondContact O-N 2.97Å; N591-T594 PolarHBondContact O-OG1 3.35Å; N591-T594 VanDerWaalsContact O-OG1 3.09Å; N591-S595 WeakPolarHBondContact O-CB 3.41Å; N591-S595 PolarHBondContact O-N 3.04Å; N591-S595 PolarHBondContact O-OG 2.9Å
592	D	80.4	Confident	73.3	Confident	81 Å²	81	104.7 Å²	104.7	43%	0.433	53%	0.53	S	S	.	.	H	α-helix	trans	-68.4	-35.8	175.1	-163	48.6	0	0	0	111.4	N588 Q589 S595 K596	N588-D592 WeakPolarHBondContact O-CB 3.39Å; N588-D592 PolarHBondContact O-N 3.27Å; Q589-D592 PolarHBondContact O-N 3.19Å; D592-S595 PolarHBondContact O-OG 3.11Å; D592-S595 VanDerWaalsContact O-OG 3.11Å; D592-K596 WeakPolarHBondContact O-CB 3.38Å; D592-K596 WeakPolarHBondContact O-CD 3.39Å; D592-K596 VanDerWaalsContact O-CG 3.27Å; D592-K596 WeakPolarHBondContact O-CG 3.47Å; D592-K596 PolarHBondContact O-N 3.19Å; D592-K596 IonicContact OD1-NZ 2.77Å; D592-K596 WeakPolarHBondContact OD2-CE 3.23Å; D592-K596 IonicContact OD2-NZ 2.79Å; D592-K596 PolarHBondContact OD2-NZ 3.17Å
593	Y	77	Confident	71.3	Confident	139 Å²	139	108 Å²	108	55%	0.545	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-45.6	172.5	174.4	-98.5	0	0	0	112.5	Q589 F590 N591 K597	Q589-Y593 WeakPolarHBondContact O-CB 3.26Å; Q589-Y593 PolarHBondContact O-N 2.58Å; F590-Y593 WeakPolarHBondContact O-CB 3.36Å; F590-Y593 PolarHBondContact O-N 2.67Å; N591-Y593 VanDerWaalsContact C-N 3.34Å; Y593-K597 HydrophobicContact CE1-CD 4.39Å; Y593-K597 WeakPolarHBondContact O-CB 3.45Å; Y593-K597 PolarHBondContact O-N 3.36Å; Y593-K597 VanDerWaalsContact O-N 3.08Å
594	T	74.9	Confident	70.8	Confident	47 Å²	47	110.1 Å²	110.1	29%	0.288	57%	0.568	S	S	.	*	H	α-helix	trans	-69.4	-38.9	180	47.7	0	0	0	0	112.5	F590 N591 K597 E598	F590-T594 HydrophobicContact CD1-CG2 4.36Å; F590-T594 HydrophobicContact CE1-CG2 3.89Å; F590-T594 HydrophobicContact CZ-CG2 4.01Å; F590-T594 PolarHBondContact O-N 3.14Å; F590-T594 PolarHBondContact O-OG1 2.93Å; F590-T594 VanDerWaalsContact O-OG1 3.11Å; N591-T594 WeakPolarHBondContact CA-OG1 3.41Å; N591-T594 PolarHBondContact O-N 2.97Å; N591-T594 PolarHBondContact O-OG1 3.35Å; N591-T594 VanDerWaalsContact O-OG1 3.09Å; T594-K597 WeakPolarHBondContact O-CB 3.47Å; T594-K597 PolarHBondContact O-N 3.15Å; T594-K597 VanDerWaalsContact O-N 3.17Å; T594-E598 PolarHBondContact O-N 2.92Å
595	S	72.3	Confident	70.5	Confident	58 Å²	58	109.4 Å²	109.4	41%	0.406	57%	0.566	S	S	.	*	H	α-helix	trans	-65.5	-38.9	176.6	70.6	0	0	0	0	112.5	N591 D592 K597 E598 S599	N591-S595 WeakPolarHBondContact O-CB 3.41Å; N591-S595 PolarHBondContact O-N 3.04Å; N591-S595 PolarHBondContact O-OG 2.9Å; D592-S595 PolarHBondContact O-OG 3.11Å; D592-S595 VanDerWaalsContact O-OG 3.11Å; S595-K597 VanDerWaalsContact C-N 3.31Å; S595-K597 PolarHBondContact O-N 3.12Å; S595-E598 PolarHBondContact O-N 3.05Å; S595-S599 PolarHBondContact O-N 3.12Å
596	K	66.1	Low	69.9	Low	121 Å²	121	110.1 Å²	110.1	53%	0.526	57%	0.569	S	S	.	*	H	α-helix	trans	-65.4	-33.8	172.4	-75.7	171.1	179.6	161.6	0	112.4	D592 S599 C600	D592-K596 WeakPolarHBondContact O-CB 3.38Å; D592-K596 WeakPolarHBondContact O-CD 3.39Å; D592-K596 VanDerWaalsContact O-CG 3.27Å; D592-K596 WeakPolarHBondContact O-CG 3.47Å; D592-K596 PolarHBondContact O-N 3.19Å; D592-K596 IonicContact OD1-NZ 2.77Å; D592-K596 WeakPolarHBondContact OD2-CE 3.23Å; D592-K596 IonicContact OD2-NZ 2.79Å; D592-K596 PolarHBondContact OD2-NZ 3.17Å; K596-S599 PolarHBondContact O-N 2.93Å; K596-C600 PolarHBondContact O-N 3.01Å; K596-C600 PolarHBondContact O-SG 3.27Å
597	K	58.8	Low	68.9	Low	120 Å²	120	109.6 Å²	109.6	52%	0.522	58%	0.576	S	S	.	*	H	α-helix	trans	-70.1	-37.3	176.6	-162.6	176.6	-177.9	-179.9	0	112.3	Y593 T594 S595 C600 M601	Y593-K597 HydrophobicContact CE1-CD 4.39Å; Y593-K597 WeakPolarHBondContact O-CB 3.45Å; Y593-K597 PolarHBondContact O-N 3.36Å; Y593-K597 VanDerWaalsContact O-N 3.08Å; T594-K597 WeakPolarHBondContact O-CB 3.47Å; T594-K597 PolarHBondContact O-N 3.15Å; T594-K597 VanDerWaalsContact O-N 3.17Å; S595-K597 VanDerWaalsContact C-N 3.31Å; S595-K597 PolarHBondContact O-N 3.12Å; K597-C600 PolarHBondContact O-N 3.08Å; K597-M601 PolarHBondContact O-N 3.45Å
598	E	56.9	Low	67.9	Low	143 Å²	143	108.9 Å²	108.9	67%	0.668	58%	0.579	S	S	*	*	H	α-helix	trans	-67.9	-36.1	172.9	-72.8	-179.5	166	0	0	112	T594 S595 C600 M601	T594-E598 PolarHBondContact O-N 2.92Å; S595-E598 PolarHBondContact O-N 3.05Å; E598-C600 PolarHBondContact O-N 3.3Å; E598-M601 PolarHBondContact O-N 3.32Å
599	S	54.5	Low	66.7	Low	85 Å²	85	109.9 Å²	109.9	59%	0.594	59%	0.585	S	S	*	*	H	α-helix	trans	-64.2	-24.6	172.5	179.1	0	0	0	0	114	S595 K596	S595-S599 PolarHBondContact O-N 3.12Å; K596-S599 PolarHBondContact O-N 2.93Å
600	C	55.8	Low	65.4	Low	98 Å²	98	107.9 Å²	107.9	66%	0.662	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-4.7	178.4	-71.7	0	0	0	0	114.1	K596 K597 E598	K596-C600 PolarHBondContact O-N 3.01Å; K596-C600 PolarHBondContact O-SG 3.27Å; K597-C600 PolarHBondContact O-N 3.08Å; E598-C600 PolarHBondContact O-N 3.3Å
601	M	53.7	Low	64.1	Low	152 Å²	152	108.7 Å²	108.7	75%	0.749	59%	0.592	S	S	*	*	S	Bend	trans	-98.8	3.3	172.9	-66.6	-163.4	-54.3	0	0	113.1	K597 E598	K597-M601 PolarHBondContact O-N 3.45Å; E598-M601 PolarHBondContact O-N 3.32Å
602	G	57.1	Low	62.5	Low	71 Å²	71	111.3 Å²	111.3	73%	0.732	61%	0.606	S	S	*	*			trans	-110.2	10.2	178	0	0	0	0	0	115.3
603	L	42.7	Very low	60.9	Low	220 Å²	220	114 Å²	114	100%	1.152	62%	0.622	S	S	*	*			trans	-121.4	0	166.9	-84.8	162.2	0	0	0	107.7

Retrieved 603 of 603 residues in 960.7 ms (Link to these results)

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