A0A087Y0M2_POEFO Loading...

adenosine deaminase

AlphaFold DB , UniProt , Accession A0A087Y0M2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 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	35.5	Very low	40.8	Very low	242 Å²	242	133.7 Å²	133.7	100%	1.192	69%	0.687	S	S	*	*				0	115.8	0	-85	177.3	165.5	0	0	108	V3	M1-V3 PolarHBondContact O-N 3.35Å
2	A	27.7	Very low	41.7	Very low	104 Å²	104	126.3 Å²	126.3	86%	0.86	66%	0.66	S	S	*	*			trans	-64.2	123.2	-176.9	0	0	0	0	0	110.4	R4	A2-R4 PolarHBondContact O-N 3.28Å
3	V	31.6	Very low	42.7	Very low	130 Å²	130	120.5 Å²	120.5	79%	0.788	64%	0.642	S	S	*	*			trans	-62.1	105.9	171.3	176.8	0	0	0	0	107.3	M1 L5	M1-V3 PolarHBondContact O-N 3.35Å; V3-L5 VanDerWaalsContact C-N 3.28Å; V3-L5 PolarHBondContact O-N 3.15Å
4	R	31.8	Very low	43.4	Very low	240 Å²	240	117.1 Å²	117.1	91%	0.906	63%	0.631	S	S	*	*			trans	-65.4	96.4	162.3	-91.6	-175.8	176.3	-172.1	0.5	106.6	A2 Q6	A2-R4 PolarHBondContact O-N 3.28Å; R4-Q6 PolarHBondContact O-N 2.97Å; R4-Q6 VanDerWaalsContact O-N 3.15Å
5	L	34.7	Very low	44	Very low	115 Å²	115	111 Å²	111	60%	0.602	60%	0.598	S	S	*	*			trans	-47	121.5	160.6	-82.9	152.3	0	0	0	107.5	V3 R7 L9 V10	V3-L5 VanDerWaalsContact C-N 3.28Å; V3-L5 PolarHBondContact O-N 3.15Å; L5-R7 PolarHBondContact O-N 2.92Å; L5-R7 VanDerWaalsContact O-N 3.13Å; L5-L9 HydrophobicContact CD2-CD1 4.4Å; L5-V10 HydrophobicContact CB-CG2 4.31Å
6	Q	42.3	Very low	44.7	Very low	141 Å²	141	113.9 Å²	113.9	66%	0.659	60%	0.604	S	S	*	*			trans	-54	121.9	175.3	-78.3	176.7	-23.9	0	0	107.7	R4 P8 L9	R4-Q6 PolarHBondContact O-N 2.97Å; R4-Q6 VanDerWaalsContact O-N 3.15Å; Q6-P8 HydrophobicContact CB-CG 3.95Å; Q6-P8 WeakPolarHBondContact O-CD 3.35Å; Q6-L9 WeakPolarHBondContact O-CB 3.46Å; Q6-L9 PolarHBondContact O-N 3.33Å
7	R	49.5	Very low	45.2	Very low	220 Å²	220	114.4 Å²	114.4	83%	0.83	61%	0.606	S	S	*	*	H	α-helix	trans	-39.7	-33.9	178	-75.5	-178.6	171.3	-177.4	-3.7	116.3	L5 L9 V10 A11	L5-R7 PolarHBondContact O-N 2.92Å; L5-R7 VanDerWaalsContact O-N 3.13Å; R7-L9 VanDerWaalsContact C-N 3.3Å; R7-L9 PolarHBondContact O-N 2.78Å; R7-V10 PolarHBondContact O-N 2.73Å; R7-V10 VanDerWaalsContact O-N 3.13Å; R7-A11 PolarHBondContact O-N 3.28Å
8	P	48.9	Very low	45.6	Very low	66 Å²	66	113.2 Å²	113.2	43%	0.429	61%	0.607	S	S	.	*	H	α-helix	trans	-58.6	-34.5	172.8	18.8	-34	0	0	0	114.7	Q6 V10 A12	Q6-P8 HydrophobicContact CB-CG 3.95Å; Q6-P8 WeakPolarHBondContact O-CD 3.35Å; P8-V10 VanDerWaalsContact C-N 3.32Å; P8-A12 VanDerWaalsContact O-CB 3.32Å; P8-A12 WeakPolarHBondContact O-CB 3.29Å; P8-A12 PolarHBondContact O-N 3.13Å
9	L	46.9	Very low	46	Very low	102 Å²	102	111.8 Å²	111.8	53%	0.534	61%	0.606	S	S	.	*	H	α-helix	trans	-70	-30.3	175.5	-79.4	157.1	0	0	0	112.1	L5 Q6 R7 A13	L5-L9 HydrophobicContact CD2-CD1 4.4Å; Q6-L9 WeakPolarHBondContact O-CB 3.46Å; Q6-L9 PolarHBondContact O-N 3.33Å; R7-L9 VanDerWaalsContact C-N 3.3Å; R7-L9 PolarHBondContact O-N 2.78Å; L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.16Å
10	V	48.8	Very low	46.4	Very low	73 Å²	73	113.6 Å²	113.6	44%	0.442	61%	0.614	S	S	.	*	H	α-helix	trans	-74	-42	176.8	-177.2	0	0	0	0	110.5	L5 R7 P8 A13 C14	L5-V10 HydrophobicContact CB-CG2 4.31Å; R7-V10 PolarHBondContact O-N 2.73Å; R7-V10 VanDerWaalsContact O-N 3.13Å; P8-V10 VanDerWaalsContact C-N 3.32Å; V10-A13 PolarHBondContact O-N 2.98Å; V10-C14 WeakPolarHBondContact O-CB 3.44Å; V10-C14 PolarHBondContact O-N 3.1Å; V10-C14 PolarHBondContact O-SG 3.05Å; V10-C14 VanDerWaalsContact O-SG 3.33Å
11	A	51.3	Low	46.7	Very low	38 Å²	38	112.1 Å²	112.1	31%	0.314	62%	0.618	S	S	.	*	H	α-helix	trans	-63.1	-45.6	173.8	0	0	0	0	0	111.6	R7 A13 C14 L15	R7-A11 PolarHBondContact O-N 3.28Å; A11-A13 PolarHBondContact O-N 3.15Å; A11-C14 PolarHBondContact O-N 3.17Å; A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 WeakPolarHBondContact O-CD1 3.42Å; A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 3.14Å
12	A	51.9	Low	47.5	Very low	44 Å²	44	103.6 Å²	103.6	36%	0.364	59%	0.592	S	S	.	*	H	α-helix	trans	-63.2	-38.7	175.6	0	0	0	0	0	112.8	P8 L15 F16	P8-A12 VanDerWaalsContact O-CB 3.32Å; P8-A12 WeakPolarHBondContact O-CB 3.29Å; P8-A12 PolarHBondContact O-N 3.13Å; A12-L15 PolarHBondContact O-N 3.46Å; A12-F16 PolarHBondContact O-N 3.04Å
13	A	53.6	Low	49.1	Very low	51 Å²	51	106.1 Å²	106.1	42%	0.421	60%	0.597	S	S	.	*	H	α-helix	trans	-68.6	-38.7	176.1	0	0	0	0	0	112.7	L9 V10 A11 F16 L17	L9-A13 WeakPolarHBondContact O-CB 3.49Å; L9-A13 PolarHBondContact O-N 3.16Å; V10-A13 PolarHBondContact O-N 2.98Å; A11-A13 PolarHBondContact O-N 3.15Å; A13-F16 PolarHBondContact O-N 3.36Å; A13-L17 PolarHBondContact O-N 3.27Å; A13-L17 VanDerWaalsContact O-N 3.12Å
14	C	52.5	Low	50.2	Low	74 Å²	74	110.1 Å²	110.1	50%	0.5	60%	0.597	S	S	.	*	H	α-helix	trans	-65.7	-40	174	-73.6	0	0	0	0	112.2	V10 A11 L17 C18	V10-C14 WeakPolarHBondContact O-CB 3.44Å; V10-C14 PolarHBondContact O-N 3.1Å; V10-C14 PolarHBondContact O-SG 3.05Å; V10-C14 VanDerWaalsContact O-SG 3.33Å; A11-C14 PolarHBondContact O-N 3.17Å; C14-L17 PolarHBondContact O-N 3.49Å; C14-C18 PolarHBondContact O-N 3.36Å
15	L	53.5	Low	52	Low	25 Å²	25	105.6 Å²	105.6	13%	0.131	60%	0.601	C	S	.	*	H	α-helix	trans	-62.4	-40.9	174.6	-75.4	158.7	0	0	0	111.8	A11 A12 C18 C19 L31 E34 L35 L38	A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 WeakPolarHBondContact O-CD1 3.42Å; A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.48Å; A11-L15 PolarHBondContact O-N 3.14Å; A12-L15 PolarHBondContact O-N 3.46Å; L15-C18 PolarHBondContact O-N 3.38Å; L15-C19 PolarHBondContact O-N 2.93Å; L15-C19 PolarHBondContact O-SG 3.35Å; L15-L31 HydrophobicContact CD2-CD1 3.17Å; L15-L31 HydrophobicContact CD2-CG 4.29Å; L15-L31 HydrophobicContact CG-CD1 4.47Å; L15-E34 HydrophobicContact CD2-CB 4.43Å; L15-L35 HydrophobicContact CD1-CD2 3.97Å; L15-L38 HydrophobicContact CD1-CD2 4.27Å
16	F	54.5	Low	53.9	Low	158 Å²	158	102.9 Å²	102.9	69%	0.693	60%	0.601	S	S	*	*	H	α-helix	trans	-65.6	-37.3	176.7	-115.8	-84.3	0	0	0	113.3	A12 A13 C18 C19	A12-F16 PolarHBondContact O-N 3.04Å; A13-F16 PolarHBondContact O-N 3.36Å; F16-C18 VanDerWaalsContact C-N 3.33Å; F16-C18 PolarHBondContact O-N 3.16Å; F16-C19 PolarHBondContact O-N 3.42Å
17	L	53.3	Low	55.9	Low	121 Å²	121	102.1 Å²	102.1	63%	0.634	61%	0.608	S	S	*	*	H	α-helix	trans	-67.8	-31	177.6	-81.4	157.2	0	0	0	112.5	A13 C14 C19	A13-L17 PolarHBondContact O-N 3.27Å; A13-L17 VanDerWaalsContact O-N 3.12Å; C14-L17 PolarHBondContact O-N 3.49Å; L17-C19 VanDerWaalsContact C-N 3.34Å
18	C	51.9	Low	57.8	Low	93 Å²	93	94.4 Å²	94.4	63%	0.628	58%	0.583	S	S	*	*	H	α-helix	trans	-70.8	-26.2	174	-74.1	0	0	0	0	113.5	C14 L15 F16 L20	C14-C18 PolarHBondContact O-N 3.36Å; L15-C18 PolarHBondContact O-N 3.38Å; F16-C18 VanDerWaalsContact C-N 3.33Å; F16-C18 PolarHBondContact O-N 3.16Å; C18-L20 VanDerWaalsContact C-N 3.34Å
19	C	53.4	Low	59.9	Low	87 Å²	87	96.1 Å²	96.1	59%	0.588	59%	0.594	S	S	*	*	H	α-helix	trans	-73.8	-21.9	178.4	-68.2	0	0	0	0	113.8	L15 F16 L17	L15-C19 PolarHBondContact O-N 2.93Å; L15-C19 PolarHBondContact O-SG 3.35Å; F16-C19 PolarHBondContact O-N 3.42Å; L17-C19 VanDerWaalsContact C-N 3.34Å
20	L	55.3	Low	62.1	Low	147 Å²	147	98.9 Å²	98.9	77%	0.77	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-10.6	-177.3	-71	167	0	0	0	113.4	C18	C18-L20 VanDerWaalsContact C-N 3.34Å
21	A	51.3	Low	64.2	Low	83 Å²	83	97.5 Å²	97.5	69%	0.686	59%	0.588	S	S	*	*	S	Bend	trans	-102.9	83	-177.4	0	0	0	0	0	111.6
22	G	52.7	Low	66.2	Low	64 Å²	64	103.8 Å²	103.8	66%	0.66	60%	0.603	S	S	*	*			trans	107.8	128.8	150.5	0	0	0	0	0	116.1	R24	G22-R24 PolarHBondContact O-N 3.32Å
23	V	61.2	Low	68.3	Low	157 Å²	157	108 Å²	108	95%	0.952	61%	0.613	S	S	*	*			trans	-46.8	101.4	167.4	-178.4	0	0	0	0	110.3
24	R	55.8	Low	70.3	Confident	213 Å²	213	110.9 Å²	110.9	80%	0.804	62%	0.618	S	S	*	*			trans	-132	134.5	163	-79.2	-169.9	176.3	-178.3	-0.5	110	G22 G26	G22-R24 PolarHBondContact O-N 3.32Å; R24-G26 PolarHBondContact O-N 3.11Å
25	C	67.9	Low	72.3	Confident	146 Å²	146	111.3 Å²	111.3	99%	0.986	62%	0.615	S	S	*	*	S	Bend	trans	-69.6	112.7	-179.6	-155.5	0	0	0	0	109.4
26	G	76.1	Confident	74.2	Confident	57 Å²	57	113.7 Å²	113.7	59%	0.588	63%	0.627	S	S	*	*	S	Bend	trans	88.7	158.4	174.7	0	0	0	0	0	116.1	R24	R24-G26 PolarHBondContact O-N 3.11Å
27	P	84.6	Confident	76.1	Confident	125 Å²	125	110.1 Å²	110.1	81%	0.812	62%	0.615	S	S	*	*			trans	-66.7	133.7	-180	26.6	-33.1	0	0	0	112.3	P29	P27-P29 VanDerWaalsContact O-CD 3.31Å; P27-P29 WeakPolarHBondContact O-CD 3.46Å
28	D	88.7	Confident	78.1	Confident	59 Å²	59	106.5 Å²	106.5	32%	0.316	60%	0.596	S	S	.	*			trans	-67.1	119	178.3	-172.8	-24.1	0	0	0	110.6	R30 L31 R32	D28-R30 PolarHBondContact O-N 3.32Å; D28-R30 WeakPolarHBondContact OD1-CB 3.39Å; D28-R30 PolarHBondContact OD1-N 2.98Å; D28-R30 IonicContact OD1-NE 3.58Å; D28-R30 PolarHBondContact OD1-NE 2.86Å; D28-R30 IonicContact OD2-CZ 3.97Å; D28-R30 IonicContact OD2-NE 2.72Å; D28-R30 PolarHBondContact OD2-NE 2.91Å; D28-R30 IonicContact OD2-NH2 2.73Å; D28-R30 PolarHBondContact OD2-NH2 3.44Å; D28-L31 HydrophobicContact CB-CB 4.01Å; D28-L31 WeakPolarHBondContact O-CB 3.46Å; D28-L31 PolarHBondContact O-N 2.81Å; D28-L31 VanDerWaalsContact O-N 3.14Å; D28-R32 PolarHBondContact O-N 2.96Å; D28-R32 VanDerWaalsContact O-N 3.08Å
29	P	92	Very high	80.1	Confident	101 Å²	101	107.1 Å²	107.1	66%	0.656	59%	0.59	S	S	*	*	H	α-helix	trans	-59.1	-27.9	178.2	-25.8	35.8	0	0	0	114.6	P27 K33	P27-P29 VanDerWaalsContact O-CD 3.31Å; P27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-K33 PolarHBondContact O-N 2.9Å
30	R	93.3	Very high	81.9	Confident	160 Å²	160	104.8 Å²	104.8	60%	0.604	58%	0.577	S	S	*	*	H	α-helix	trans	-69.9	-44.1	176.2	-64.1	175.6	-65	165.3	8	110.8	D28 R32 K33 E34	D28-R30 PolarHBondContact O-N 3.32Å; D28-R30 WeakPolarHBondContact OD1-CB 3.39Å; D28-R30 PolarHBondContact OD1-N 2.98Å; D28-R30 IonicContact OD1-NE 3.58Å; D28-R30 PolarHBondContact OD1-NE 2.86Å; D28-R30 IonicContact OD2-CZ 3.97Å; D28-R30 IonicContact OD2-NE 2.72Å; D28-R30 PolarHBondContact OD2-NE 2.91Å; D28-R30 IonicContact OD2-NH2 2.73Å; D28-R30 PolarHBondContact OD2-NH2 3.44Å; R30-R32 VanDerWaalsContact C-N 3.29Å; R30-R32 PolarHBondContact O-N 3.1Å; R30-K33 WeakPolarHBondContact O-CB 3.37Å; R30-K33 PolarHBondContact O-N 3.02Å; R30-K33 VanDerWaalsContact O-N 3.09Å; R30-E34 WeakPolarHBondContact O-CG 3.49Å; R30-E34 PolarHBondContact O-N 3.19Å
31	L	92.8	Very high	83.8	Confident	45 Å²	45	99.5 Å²	99.5	24%	0.236	55%	0.552	C	S	.	*	H	α-helix	trans	-59.2	-42.8	174.6	-169.6	74.8	0	0	0	110.9	L15 D28 K33 E34 L35	L15-L31 HydrophobicContact CD2-CD1 3.17Å; L15-L31 HydrophobicContact CD2-CG 4.29Å; L15-L31 HydrophobicContact CG-CD1 4.47Å; D28-L31 HydrophobicContact CB-CB 4.01Å; D28-L31 WeakPolarHBondContact O-CB 3.46Å; D28-L31 PolarHBondContact O-N 2.81Å; D28-L31 VanDerWaalsContact O-N 3.14Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.34Å; L31-E34 PolarHBondContact O-N 2.68Å; L31-L35 HydrophobicContact CG-CD1 4.48Å; L31-L35 WeakPolarHBondContact O-CG 3.42Å; L31-L35 PolarHBondContact O-N 2.84Å
32	R	94.3	Very high	85.9	Confident	170 Å²	170	99.3 Å²	99.3	64%	0.642	54%	0.538	S	S	*	.	H	α-helix	trans	-58.4	-45.1	174	-179	-178	178.8	-81.6	-1.6	111.8	D28 R30 L35 I36	D28-R32 PolarHBondContact O-N 2.96Å; D28-R32 VanDerWaalsContact O-N 3.08Å; R30-R32 VanDerWaalsContact C-N 3.29Å; R30-R32 PolarHBondContact O-N 3.1Å; R32-L35 PolarHBondContact O-N 2.84Å; R32-I36 HydrophobicContact CG-CD1 4.01Å; R32-I36 VanDerWaalsContact NH1-CD1 3.33Å; R32-I36 VanDerWaalsContact O-CG1 3.32Å; R32-I36 WeakPolarHBondContact O-CG1 3.48Å; R32-I36 PolarHBondContact O-N 3.43Å; R32-I36 VanDerWaalsContact O-N 3.13Å
33	K	95.1	Very high	87.9	Confident	133 Å²	133	96.6 Å²	96.6	58%	0.578	51%	0.508	S	S	*	.	H	α-helix	trans	-63.6	-45.8	178.2	178.7	174.4	173.6	126.8	0	111.5	P29 R30 L31 L35 I36 D37	P29-K33 PolarHBondContact O-N 2.9Å; R30-K33 WeakPolarHBondContact O-CB 3.37Å; R30-K33 PolarHBondContact O-N 3.02Å; R30-K33 VanDerWaalsContact O-N 3.09Å; L31-K33 VanDerWaalsContact C-N 3.34Å; L31-K33 PolarHBondContact O-N 3.34Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 2.76Å; K33-I36 PolarHBondContact O-N 3.04Å; K33-I36 VanDerWaalsContact O-N 3.16Å; K33-D37 WeakPolarHBondContact CE-OD2 3.38Å; K33-D37 WeakPolarHBondContact CG-OD2 3.46Å; K33-D37 WeakPolarHBondContact O-CB 3.49Å; K33-D37 VanDerWaalsContact O-CG 3.29Å; K33-D37 PolarHBondContact O-N 3.26Å
34	E	95.3	Very high	89.6	Confident	110 Å²	110	89.1 Å²	89.1	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-59.5	-39.7	178.1	-73	173.3	-174.2	0	0	112.4	L15 R30 L31 L38	L15-E34 HydrophobicContact CD2-CB 4.43Å; R30-E34 WeakPolarHBondContact O-CG 3.49Å; R30-E34 PolarHBondContact O-N 3.19Å; L31-E34 PolarHBondContact O-N 2.68Å; E34-L38 VanDerWaalsContact O-CB 3.23Å; E34-L38 WeakPolarHBondContact O-CB 3.48Å; E34-L38 PolarHBondContact O-N 3.37Å
35	L	95.3	Very high	91.6	Very high	84 Å²	84	79.1 Å²	79.1	44%	0.44	43%	0.426	S	S	.	.	H	α-helix	trans	-65.7	-41.8	175.1	-69.6	170.8	0	0	0	112.3	L15 L31 R32 K33 L38 E39	L15-L35 HydrophobicContact CD1-CD2 3.97Å; L31-L35 HydrophobicContact CG-CD1 4.48Å; L31-L35 WeakPolarHBondContact O-CG 3.42Å; L31-L35 PolarHBondContact O-N 2.84Å; R32-L35 PolarHBondContact O-N 2.84Å; K33-L35 VanDerWaalsContact C-N 3.3Å; K33-L35 PolarHBondContact O-N 2.76Å; L35-L38 PolarHBondContact O-N 3.11Å; L35-E39 PolarHBondContact O-N 3.45Å
36	I	94	Very high	92.9	Very high	74 Å²	74	73.3 Å²	73.3	38%	0.379	39%	0.39	S	S	.	.	H	α-helix	trans	-64.3	-45.6	176.4	-69.7	167	0	0	0	110.8	R32 K33 L38 E39 A40	R32-I36 HydrophobicContact CG-CD1 4.01Å; R32-I36 VanDerWaalsContact NH1-CD1 3.33Å; R32-I36 VanDerWaalsContact O-CG1 3.32Å; R32-I36 WeakPolarHBondContact O-CG1 3.48Å; R32-I36 PolarHBondContact O-N 3.43Å; R32-I36 VanDerWaalsContact O-N 3.13Å; K33-I36 PolarHBondContact O-N 3.04Å; K33-I36 VanDerWaalsContact O-N 3.16Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3.3Å; I36-E39 PolarHBondContact O-N 2.81Å; I36-A40 WeakPolarHBondContact O-CB 3.27Å; I36-A40 PolarHBondContact O-N 2.73Å
37	D	93.9	Very high	93.8	Very high	83 Å²	83	78.5 Å²	78.5	44%	0.444	39%	0.392	S	S	.	.	H	α-helix	trans	-66.5	-35.9	179.4	-67.4	-15.4	0	0	0	110.8	K33 A40 S41	K33-D37 WeakPolarHBondContact CE-OD2 3.38Å; K33-D37 WeakPolarHBondContact CG-OD2 3.46Å; K33-D37 WeakPolarHBondContact O-CB 3.49Å; K33-D37 VanDerWaalsContact O-CG 3.29Å; K33-D37 PolarHBondContact O-N 3.26Å; D37-A40 PolarHBondContact O-N 3.41Å; D37-S41 WeakPolarHBondContact O-CB 3.37Å; D37-S41 PolarHBondContact O-N 3.42Å
38	L	94.8	Very high	94.3	Very high	45 Å²	45	74.4 Å²	74.4	24%	0.236	36%	0.363	C	S	.	.	H	α-helix	trans	-62.2	-51.2	173.6	178.9	60.9	0	0	0	111.3	L15 E34 L35 I36 A40 S41 M42	L15-L38 HydrophobicContact CD1-CD2 4.27Å; E34-L38 VanDerWaalsContact O-CB 3.23Å; E34-L38 WeakPolarHBondContact O-CB 3.48Å; E34-L38 PolarHBondContact O-N 3.37Å; L35-L38 PolarHBondContact O-N 3.11Å; I36-L38 VanDerWaalsContact C-N 3.31Å; I36-L38 PolarHBondContact O-N 3.3Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.01Å; L38-S41 PolarHBondContact O-N 3.2Å; L38-S41 VanDerWaalsContact O-N 3.11Å; L38-S41 PolarHBondContact O-OG 2.89Å; L38-M42 HydrophobicContact CD1-SD 4.44Å; L38-M42 HydrophobicContact CG-SD 4.2Å; L38-M42 WeakPolarHBondContact O-CG 3.18Å; L38-M42 PolarHBondContact O-N 3.25Å; L38-M42 VanDerWaalsContact O-N 3.1Å
39	E	93.4	Very high	94.7	Very high	107 Å²	107	78.1 Å²	78.1	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-57.5	-44.4	174.8	-78.1	-172.1	-174.3	0	0	111.9	L35 I36 S41 M42 Q43 K461	L35-E39 PolarHBondContact O-N 3.45Å; I36-E39 PolarHBondContact O-N 2.81Å; E39-S41 PolarHBondContact O-N 3.26Å; E39-M42 PolarHBondContact O-N 2.97Å; E39-Q43 PolarHBondContact O-N 3.33Å; E39-K461 IonicContact OE2-NZ 3.44Å; E39-K461 PolarHBondContact OE2-NZ 3.49Å
40	A	93.1	Very high	94.9	Very high	38 Å²	38	74.6 Å²	74.6	31%	0.314	36%	0.363	S	S	.	.	H	α-helix	trans	-63	-28.3	178.4	0	0	0	0	0	112.6	I36 D37 L38 Q43 G46	I36-A40 WeakPolarHBondContact O-CB 3.27Å; I36-A40 PolarHBondContact O-N 2.73Å; D37-A40 PolarHBondContact O-N 3.41Å; L38-A40 VanDerWaalsContact C-N 3.31Å; L38-A40 PolarHBondContact O-N 3.01Å; A40-Q43 VanDerWaalsContact O-CG 3.27Å; A40-Q43 WeakPolarHBondContact O-CG 3.47Å; A40-Q43 PolarHBondContact O-NE2 3.22Å; A40-G46 VanDerWaalsContact O-CA 3.28Å; A40-G46 WeakPolarHBondContact O-CA 3.48Å
41	S	95.1	Very high	95.1	Very high	36 Å²	36	70.8 Å²	70.8	25%	0.252	36%	0.357	S	S	.	.	H	α-helix	trans	-80.7	-20.3	174.1	80.6	0	0	0	0	113.7	D37 L38 E39 R47	D37-S41 WeakPolarHBondContact O-CB 3.37Å; D37-S41 PolarHBondContact O-N 3.42Å; L38-S41 PolarHBondContact O-N 3.2Å; L38-S41 VanDerWaalsContact O-N 3.11Å; L38-S41 PolarHBondContact O-OG 2.89Å; E39-S41 PolarHBondContact O-N 3.26Å; S41-R47 WeakPolarHBondContact O-CG 3.45Å
42	M	95.1	Very high	95.3	Very high	78 Å²	78	74 Å²	74	38%	0.384	38%	0.375	S	S	.	.	H	α-helix	trans	-82.5	-24.4	-177.1	-75.3	175.7	60.7	0	0	113.3	L38 E39 M426 E427 D428	L38-M42 HydrophobicContact CD1-SD 4.44Å; L38-M42 HydrophobicContact CG-SD 4.2Å; L38-M42 WeakPolarHBondContact O-CG 3.18Å; L38-M42 PolarHBondContact O-N 3.25Å; L38-M42 VanDerWaalsContact O-N 3.1Å; E39-M42 PolarHBondContact O-N 2.97Å; M42-M426 CarbonylContact C-O 3.55Å; M42-M426 VanDerWaalsContact C-O 3.24Å; M42-M426 VanDerWaalsContact O-O 3.13Å; M42-E427 CarbonylContact O-C 3.59Å; M42-D428 WeakPolarHBondContact O-CB 3.41Å; M42-D428 PolarHBondContact O-N 3.24Å
43	Q	95.1	Very high	95.4	Very high	8 Å²	8	66.9 Å²	66.9	4%	0.037	35%	0.353	C	S	.	.	S	Bend	trans	-70.9	161.1	177.9	65.8	178.4	-20.6	0	0	112.6	E39 A40 G45 G46 M425 M426 K461	E39-Q43 PolarHBondContact O-N 3.33Å; A40-Q43 VanDerWaalsContact O-CG 3.27Å; A40-Q43 WeakPolarHBondContact O-CG 3.47Å; A40-Q43 PolarHBondContact O-NE2 3.22Å; Q43-G45 PolarHBondContact O-N 3.41Å; Q43-G46 PolarHBondContact O-N 2.83Å; Q43-M425 CarbonylContact C-O 3.25Å; Q43-M425 VanDerWaalsContact CA-O 3.27Å; Q43-M425 WeakPolarHBondContact CA-O 3.33Å; Q43-M426 WeakPolarHBondContact CA-O 3.4Å; Q43-M426 HydrophobicContact CB-CE 4.3Å; Q43-M426 HydrophobicContact CB-SD 4.12Å; Q43-M426 PolarHBondContact N-O 3.23Å; Q43-K461 PolarHBondContact NE2-O 2.99Å; Q43-K461 VanDerWaalsContact NE2-O 3.13Å; Q43-K461 VanDerWaalsContact OE1-CB 3.31Å; Q43-K461 PolarHBondContact OE1-O 2.82Å
44	I	96.4	Very high	95.6	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	125.6	175.1	-163.8	163.3	0	0	0	111.2	G46 M425 L431 S466 Q469 L470	I44-G46 PolarHBondContact O-N 3.15Å; I44-M425 HydrophobicContact CG2-CB 4.06Å; I44-M425 HydrophobicContact CG2-CE 3.59Å; I44-M425 HydrophobicContact CG2-CG 4.13Å; I44-M425 PolarHBondContact N-O 3.38Å; I44-L431 HydrophobicContact CD1-CD1 4.49Å; I44-L431 HydrophobicContact CD1-CD2 4.2Å; I44-L431 HydrophobicContact CD1-CG 4.06Å; I44-S466 WeakPolarHBondContact O-CA 3.42Å; I44-S466 WeakPolarHBondContact O-CB 3.37Å; I44-S466 PolarHBondContact O-OG 2.92Å; I44-Q469 HydrophobicContact CD1-CG 4.29Å; I44-Q469 HydrophobicContact CG1-CB 3.99Å; I44-Q469 HydrophobicContact CG1-CG 3.58Å; I44-L470 HydrophobicContact CD1-CD2 3.5Å; I44-L470 VanDerWaalsContact CD1-CD2 3.5Å; I44-L470 HydrophobicContact CD1-CG 4.06Å
45	G	96.8	Very high	95.7	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.031	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	-5.3	-175.7	0	0	0	0	0	115.4	Q43 R47 M48 H463 G465	Q43-G45 PolarHBondContact O-N 3.41Å; G45-R47 PolarHBondContact O-N 2.8Å; G45-R47 VanDerWaalsContact O-N 3.15Å; G45-M48 VanDerWaalsContact O-CB 3.32Å; G45-M48 WeakPolarHBondContact O-CB 3.12Å; G45-M48 PolarHBondContact O-N 3.49Å; G45-H463 PolarHBondContact O-CE1 3.31Å; G45-G465 WeakPolarHBondContact CA-O 3.46Å
46	G	95.9	Very high	95.8	Very high	23 Å²	23	62.2 Å²	62.2	24%	0.237	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-18.4	-177.3	0	0	0	0	0	114.9	A40 Q43 I44	A40-G46 VanDerWaalsContact O-CA 3.28Å; A40-G46 WeakPolarHBondContact O-CA 3.48Å; Q43-G46 PolarHBondContact O-N 2.83Å; I44-G46 PolarHBondContact O-N 3.15Å
47	R	95.7	Very high	95.9	Very high	167 Å²	167	58.7 Å²	58.7	63%	0.63	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.1	4.5	174.8	-74.1	177.1	-71.2	179.3	1	113.8	S41 G45 V49 D428	S41-R47 WeakPolarHBondContact O-CG 3.45Å; G45-R47 PolarHBondContact O-N 2.8Å; G45-R47 VanDerWaalsContact O-N 3.15Å; R47-V49 PolarHBondContact O-N 2.76Å; R47-D428 IonicContact NH2-OD2 2.86Å; R47-D428 PolarHBondContact NH2-OD2 2.77Å
48	M	95.3	Very high	96.1	Very high	39 Å²	39	56.7 Å²	56.7	19%	0.192	30%	0.297	C	S	.	.			trans	-69.9	129.6	176.9	-75.8	-165.2	158.7	0	0	111	G45 L50 K468 Q469 I472	G45-M48 VanDerWaalsContact O-CB 3.32Å; G45-M48 WeakPolarHBondContact O-CB 3.12Å; G45-M48 PolarHBondContact O-N 3.49Å; M48-L50 HydrophobicContact CB-CD2 4.31Å; M48-L50 PolarHBondContact O-N 3.02Å; M48-K468 HydrophobicContact CE-CB 4.16Å; M48-K468 HydrophobicContact CE-CD 4.33Å; M48-K468 HydrophobicContact CE-CG 4.06Å; M48-K468 HydrophobicContact SD-CB 3.7Å; M48-K468 HydrophobicContact SD-CD 3.85Å; M48-K468 HydrophobicContact SD-CG 3.93Å; M48-Q469 HydrophobicContact CE-CB 3.54Å; M48-Q469 HydrophobicContact CE-CG 4.19Å; M48-Q469 VanDerWaalsContact CE-OE1 3.29Å; M48-Q469 HydrophobicContact SD-CB 4.15Å; M48-I472 HydrophobicContact CE-CD1 3.82Å
49	V	95.8	Very high	96.1	Very high	136 Å²	136	57.5 Å²	57.5	82%	0.824	31%	0.31	S	S	*	.			trans	-80.4	115.6	169.3	-177.5	0	0	0	0	108	R47	R47-V49 PolarHBondContact O-N 2.76Å
50	L	96.9	Very high	96.2	Very high	28 Å²	28	54 Å²	54	15%	0.147	30%	0.295	C	S	.	.			trans	-92.7	133.4	-179.8	-57.1	-178.4	0	0	0	110.5	M48 E54 Q55 V464	M48-L50 HydrophobicContact CB-CD2 4.31Å; M48-L50 PolarHBondContact O-N 3.02Å; L50-E54 HydrophobicContact CB-CB 4.05Å; L50-E54 HydrophobicContact CD2-CB 4.32Å; L50-Q55 HydrophobicContact CB-CG 3.86Å; L50-Q55 PolarHBondContact O-NE2 3.44Å; L50-Q55 VanDerWaalsContact O-NE2 3.1Å; L50-V464 HydrophobicContact CD1-CG1 3.46Å; L50-V464 VanDerWaalsContact CD1-CG1 3.46Å; L50-V464 HydrophobicContact CD2-CG1 3.77Å; L50-V464 HydrophobicContact CG-CG1 4.24Å
51	T	97.5	Very high	96.4	Very high	79 Å²	79	52.4 Å²	52.4	49%	0.485	28%	0.28	S	S	.	.			trans	-66.5	160.9	168	60.9	0	0	0	0	111.1	A53 E54 Q55	T51-A53 PolarHBondContact O-N 3.09Å; T51-A53 VanDerWaalsContact O-N 3.15Å; T51-E54 WeakPolarHBondContact CB-OE2 3.48Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.42Å; T51-E54 PolarHBondContact N-OE2 2.72Å; T51-E54 CarbonylContact O-C 3.59Å; T51-E54 WeakPolarHBondContact O-CA 3.39Å; T51-E54 WeakPolarHBondContact O-CB 3.42Å; T51-E54 PolarHBondContact O-N 3.21Å; T51-E54 VanDerWaalsContact OG1-CD 3.31Å; T51-E54 VanDerWaalsContact OG1-CG 3.27Å; T51-E54 WeakPolarHBondContact OG1-CG 3.36Å; T51-E54 PolarHBondContact OG1-N 2.91Å; T51-E54 PolarHBondContact OG1-OE2 2.59Å; T51-Q55 WeakPolarHBondContact O-CG 3.38Å; T51-Q55 PolarHBondContact O-N 2.86Å
52	D	96.9	Very high	96.4	Very high	112 Å²	112	53.2 Å²	53.2	60%	0.599	29%	0.289	S	S	*	.	H	α-helix	trans	-55.9	-34.9	177.7	-61.4	-10.1	0	0	0	112.9	R56	D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 3.4Å; D52-R56 VanDerWaalsContact O-N 3.14Å; D52-R56 PolarHBondContact O-NH1 3.05Å
53	A	96.9	Very high	96.4	Very high	22 Å²	22	55.4 Å²	55.4	18%	0.182	30%	0.297	C	S	.	.	H	α-helix	trans	-68.6	-40.5	176.3	0	0	0	0	0	111.9	T51 R56 L57 V500 Q504	T51-A53 PolarHBondContact O-N 3.09Å; T51-A53 VanDerWaalsContact O-N 3.15Å; A53-R56 PolarHBondContact O-N 3.47Å; A53-L57 PolarHBondContact O-N 3.33Å; A53-L57 VanDerWaalsContact O-N 3.1Å; A53-V500 HydrophobicContact CB-CG1 3.67Å; A53-Q504 VanDerWaalsContact CB-OE1 3.23Å
54	E	98.1	Very high	96.4	Very high	5 Å²	5	56.5 Å²	56.5	2%	0.023	30%	0.303	C	S	.	.	H	α-helix	trans	-68.5	-36.3	175	-71.1	165.9	141.7	0	0	111.8	L50 T51 R56 L57 D58 K468 W496 V500	L50-E54 HydrophobicContact CB-CB 4.05Å; L50-E54 HydrophobicContact CD2-CB 4.32Å; T51-E54 WeakPolarHBondContact CB-OE2 3.48Å; T51-E54 WeakPolarHBondContact CG2-OE2 3.42Å; T51-E54 PolarHBondContact N-OE2 2.72Å; T51-E54 CarbonylContact O-C 3.59Å; T51-E54 WeakPolarHBondContact O-CA 3.39Å; T51-E54 WeakPolarHBondContact O-CB 3.42Å; T51-E54 PolarHBondContact O-N 3.21Å; T51-E54 VanDerWaalsContact OG1-CD 3.31Å; T51-E54 VanDerWaalsContact OG1-CG 3.27Å; T51-E54 WeakPolarHBondContact OG1-CG 3.36Å; T51-E54 PolarHBondContact OG1-N 2.91Å; T51-E54 PolarHBondContact OG1-OE2 2.59Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 3.21Å; E54-L57 PolarHBondContact O-N 2.89Å; E54-D58 WeakPolarHBondContact O-CB 3.43Å; E54-D58 PolarHBondContact O-N 2.83Å; E54-K468 WeakPolarHBondContact OE1-CE 3.48Å; E54-K468 IonicContact OE1-NZ 2.68Å; E54-K468 PolarHBondContact OE1-NZ 2.86Å; E54-K468 IonicContact OE2-NZ 3.71Å; E54-W496 PolarHBondContact OE1-NE1 3.42Å; E54-V500 HydrophobicContact CG-CG1 3.98Å; E54-V500 HydrophobicContact CG-CG2 3.94Å
55	Q	97.4	Very high	96.3	Very high	104 Å²	104	56.7 Å²	56.7	49%	0.486	30%	0.304	S	S	.	.	H	α-helix	trans	-63.1	-37.3	174.1	-68.3	173.9	20.2	0	0	112	L50 T51 D58 A59	L50-Q55 HydrophobicContact CB-CG 3.86Å; L50-Q55 PolarHBondContact O-NE2 3.44Å; L50-Q55 VanDerWaalsContact O-NE2 3.1Å; T51-Q55 WeakPolarHBondContact O-CG 3.38Å; T51-Q55 PolarHBondContact O-N 2.86Å; Q55-D58 WeakPolarHBondContact O-CB 2.93Å; Q55-D58 PolarHBondContact O-N 3.27Å; Q55-A59 PolarHBondContact O-N 2.86Å
56	R	97.1	Very high	96.1	Very high	120 Å²	120	63.2 Å²	63.2	45%	0.453	33%	0.333	S	S	.	.	H	α-helix	trans	-66.5	-42.6	173.3	-73.7	-173.2	-68	-86.5	4.5	112.4	D52 A53 E54 D58 A59 L60 Q504	D52-R56 WeakPolarHBondContact O-CG 3.43Å; D52-R56 PolarHBondContact O-N 3.4Å; D52-R56 VanDerWaalsContact O-N 3.14Å; D52-R56 PolarHBondContact O-NH1 3.05Å; A53-R56 PolarHBondContact O-N 3.47Å; E54-R56 VanDerWaalsContact C-N 3.32Å; E54-R56 PolarHBondContact O-N 3.21Å; R56-D58 VanDerWaalsContact C-N 3.28Å; R56-D58 PolarHBondContact O-N 3.18Å; R56-A59 PolarHBondContact O-N 2.64Å; R56-L60 PolarHBondContact O-N 3.16Å; R56-L60 VanDerWaalsContact O-N 3.17Å; R56-Q504 HydrophobicContact CB-CB 4.3Å
57	L	96.8	Very high	96	Very high	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-61.8	-39.7	173.4	176.7	61	0	0	0	111.2	A53 E54 A59 L60 L61 L95 V464 F499 V500 N503	A53-L57 PolarHBondContact O-N 3.33Å; A53-L57 VanDerWaalsContact O-N 3.1Å; E54-L57 PolarHBondContact O-N 2.89Å; L57-A59 PolarHBondContact O-N 3.01Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.45Å; L57-L61 HydrophobicContact CD1-CD1 4.39Å; L57-L61 HydrophobicContact CD1-CG 4.34Å; L57-L61 HydrophobicContact CG-CD1 4.04Å; L57-L61 HydrophobicContact CG-CG 4.46Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3.09Å; L57-L95 HydrophobicContact CD1-CD2 4.11Å; L57-V464 HydrophobicContact CD2-CG2 3.86Å; L57-V464 HydrophobicContact CG-CG2 4.18Å; L57-F499 HydrophobicContact CD2-CD1 4.25Å; L57-F499 HydrophobicContact CD2-CE1 3.64Å; L57-F499 HydrophobicContact CD2-CZ 4.29Å; L57-V500 HydrophobicContact CD2-CG2 3.94Å; L57-N503 HydrophobicContact CD1-CB 3.87Å
58	D	97.1	Very high	95.8	Very high	41 Å²	41	58.6 Å²	58.6	22%	0.219	32%	0.315	C	S	.	.	H	α-helix	trans	-59.6	-45.2	176.6	-162.9	52.1	0	0	0	111.9	E54 Q55 R56 L60 L61 A62 H463 V464	E54-D58 WeakPolarHBondContact O-CB 3.43Å; E54-D58 PolarHBondContact O-N 2.83Å; Q55-D58 WeakPolarHBondContact O-CB 2.93Å; Q55-D58 PolarHBondContact O-N 3.27Å; R56-D58 VanDerWaalsContact C-N 3.28Å; R56-D58 PolarHBondContact O-N 3.18Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.03Å; D58-L61 PolarHBondContact O-N 3.49Å; D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.47Å; D58-H463 VanDerWaalsContact OD1-CB 3.29Å; D58-H463 WeakPolarHBondContact OD1-CB 3.37Å; D58-V464 HydrophobicContact CB-CB 4.09Å; D58-V464 HydrophobicContact CB-CG1 3.64Å; D58-V464 WeakPolarHBondContact OD1-CB 3.41Å; D58-V464 WeakPolarHBondContact OD1-CG1 3.35Å; D58-V464 PolarHBondContact OD1-N 3.44Å
59	A	96.1	Very high	95.6	Very high	62 Å²	62	59.9 Å²	59.9	51%	0.512	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-38.8	176.3	0	0	0	0	0	112.5	Q55 R56 L57 K63	Q55-A59 PolarHBondContact O-N 2.86Å; R56-A59 PolarHBondContact O-N 2.64Å; L57-A59 PolarHBondContact O-N 3.01Å; A59-K63 PolarHBondContact O-N 2.88Å
60	L	95.6	Very high	95.4	Very high	34 Å²	34	57.9 Å²	57.9	18%	0.178	31%	0.313	C	S	.	.	H	α-helix	trans	-64.4	-48.7	173.4	172.9	62.4	0	0	0	111.4	R56 L57 D58 A62 K63 L64 L95 N503 L506	R56-L60 PolarHBondContact O-N 3.16Å; R56-L60 VanDerWaalsContact O-N 3.17Å; L57-L60 WeakPolarHBondContact O-CB 3.43Å; L57-L60 PolarHBondContact O-N 3.45Å; D58-L60 VanDerWaalsContact C-N 3.32Å; D58-L60 PolarHBondContact O-N 3.03Å; L60-A62 VanDerWaalsContact C-N 3.31Å; L60-A62 PolarHBondContact O-N 3.26Å; L60-K63 PolarHBondContact O-N 2.94Å; L60-L64 HydrophobicContact CD1-CD1 4.13Å; L60-L64 HydrophobicContact CD1-CG 4.13Å; L60-L64 HydrophobicContact CG-CD1 4.17Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.34Å; L60-L95 HydrophobicContact CD2-CD2 4.49Å; L60-N503 WeakPolarHBondContact CD2-O 3.49Å; L60-L506 HydrophobicContact CD1-CD2 4.21Å
61	L	95.9	Very high	95.2	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-42.8	178.1	-77.4	168.5	0	0	0	111.5	L57 D58 K63 L64 K65 L92 L95 F454 V464 L467	L57-L61 HydrophobicContact CD1-CD1 4.39Å; L57-L61 HydrophobicContact CD1-CG 4.34Å; L57-L61 HydrophobicContact CG-CD1 4.04Å; L57-L61 HydrophobicContact CG-CG 4.46Å; L57-L61 WeakPolarHBondContact O-CG 3.45Å; L57-L61 PolarHBondContact O-N 3.09Å; D58-L61 PolarHBondContact O-N 3.49Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 3.38Å; L61-L64 PolarHBondContact O-N 3.19Å; L61-K65 WeakPolarHBondContact O-CB 3.32Å; L61-K65 PolarHBondContact O-N 3.04Å; L61-L92 HydrophobicContact CD2-CD1 3.42Å; L61-L92 VanDerWaalsContact CD2-CD1 3.42Å; L61-L95 HydrophobicContact CD2-CD2 3.48Å; L61-L95 VanDerWaalsContact CD2-CD2 3.48Å; L61-L95 HydrophobicContact CD2-CG 4.46Å; L61-L95 HydrophobicContact CG-CD2 4.09Å; L61-F454 HydrophobicContact CD2-CE1 4.48Å; L61-V464 HydrophobicContact CD1-CB 3.9Å; L61-V464 HydrophobicContact CD1-CG2 3.96Å; L61-L467 HydrophobicContact CD1-CD1 3.96Å
62	A	95.4	Very high	94.9	Very high	53 Å²	53	67.3 Å²	67.3	44%	0.438	34%	0.344	S	S	.	.	H	α-helix	trans	-60	-42.9	177.5	0	0	0	0	0	111.8	D58 L60 Q66	D58-A62 WeakPolarHBondContact O-CB 3.29Å; D58-A62 PolarHBondContact O-N 3.47Å; L60-A62 VanDerWaalsContact C-N 3.31Å; L60-A62 PolarHBondContact O-N 3.26Å; A62-Q66 WeakPolarHBondContact O-CB 3.36Å; A62-Q66 PolarHBondContact O-N 2.96Å
63	K	94.8	Very high	94.7	Very high	124 Å²	124	64.9 Å²	64.9	54%	0.539	33%	0.331	S	S	.	.	H	α-helix	trans	-63.3	-53.2	175.8	-176.5	-178.8	177	-176.2	0	111.7	A59 L60 L61 K65 Q66 D67	A59-K63 PolarHBondContact O-N 2.88Å; L60-K63 PolarHBondContact O-N 2.94Å; L61-K63 VanDerWaalsContact C-N 3.33Å; L61-K63 PolarHBondContact O-N 3.38Å; K63-K65 PolarHBondContact O-N 3.19Å; K63-Q66 WeakPolarHBondContact O-CB 3.32Å; K63-Q66 PolarHBondContact O-N 3.4Å; K63-Q66 VanDerWaalsContact O-N 3.14Å; K63-D67 PolarHBondContact O-N 3.18Å
64	L	95.2	Very high	94.7	Very high	31 Å²	31	64.5 Å²	64.5	16%	0.162	33%	0.326	C	S	.	.	H	α-helix	trans	-58.8	-40.6	179.9	-67.1	177.6	0	0	0	111.5	L60 L61 D67 E68 P91 L92 L95	L60-L64 HydrophobicContact CD1-CD1 4.13Å; L60-L64 HydrophobicContact CD1-CG 4.13Å; L60-L64 HydrophobicContact CG-CD1 4.17Å; L60-L64 WeakPolarHBondContact O-CG 3.28Å; L60-L64 PolarHBondContact O-N 3.34Å; L61-L64 PolarHBondContact O-N 3.19Å; L64-D67 WeakPolarHBondContact O-CB 3.3Å; L64-D67 PolarHBondContact O-N 3.13Å; L64-E68 WeakPolarHBondContact O-CG 3.34Å; L64-E68 PolarHBondContact O-N 3.34Å; L64-E68 VanDerWaalsContact O-N 3.09Å; L64-P91 HydrophobicContact CD2-CB 4.11Å; L64-L92 HydrophobicContact CB-CB 4.11Å; L64-L92 HydrophobicContact CB-CD1 4.32Å; L64-L95 HydrophobicContact CD1-CD2 4.27Å
65	K	94.8	Very high	94.6	Very high	5 Å²	5	64.3 Å²	64.3	2%	0.022	32%	0.324	C	S	.	.	H	α-helix	trans	-67	-40.3	177.3	-171.3	-178.8	-156.7	168.2	0	112.5	L61 K63 D67 E68 M69 L92 F454 G459 S462	L61-K65 WeakPolarHBondContact O-CB 3.32Å; L61-K65 PolarHBondContact O-N 3.04Å; K63-K65 PolarHBondContact O-N 3.19Å; K65-D67 VanDerWaalsContact C-N 3.27Å; K65-D67 PolarHBondContact O-N 3.09Å; K65-E68 PolarHBondContact O-N 2.84Å; K65-M69 HydrophobicContact CD-SD 4.46Å; K65-M69 HydrophobicContact CG-CG 4.32Å; K65-M69 HydrophobicContact CG-SD 4.06Å; K65-M69 WeakPolarHBondContact O-CB 3.43Å; K65-M69 VanDerWaalsContact O-CG 3.27Å; K65-M69 WeakPolarHBondContact O-CG 3.33Å; K65-M69 PolarHBondContact O-N 3.44Å; K65-L92 HydrophobicContact CB-CD2 4.3Å; K65-F454 HydrophobicContact CD-CD1 4.46Å; K65-F454 HydrophobicContact CD-CE1 3.86Å; K65-F454 HydrophobicContact CD-CZ 4.15Å; K65-F454 WeakPolarHBondContact CE-O 3.31Å; K65-F454 HydrophobicContact CG-CE1 4.45Å; K65-F454 PolarHBondContact NZ-O 3.41Å; K65-G459 WeakPolarHBondContact CE-O 3.29Å; K65-G459 PolarHBondContact NZ-O 3.37Å; K65-S462 PolarHBondContact NZ-O 2.9Å
66	Q	93.8	Very high	94.6	Very high	139 Å²	139	59.3 Å²	59.3	65%	0.65	30%	0.301	S	S	*	.	H	α-helix	trans	-60.3	-41.4	175.1	-175.8	174.8	11.5	0	0	111.1	A62 K63 M69 S70	A62-Q66 WeakPolarHBondContact O-CB 3.36Å; A62-Q66 PolarHBondContact O-N 2.96Å; K63-Q66 WeakPolarHBondContact O-CB 3.32Å; K63-Q66 PolarHBondContact O-N 3.4Å; K63-Q66 VanDerWaalsContact O-N 3.14Å; Q66-M69 PolarHBondContact O-N 2.65Å; Q66-S70 WeakPolarHBondContact O-CB 3.1Å; Q66-S70 PolarHBondContact O-N 3.28Å; Q66-S70 PolarHBondContact O-OG 2.91Å
67	D	92.3	Very high	94.6	Very high	85 Å²	85	55.5 Å²	55.5	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-59.6	-47.4	175.1	-64.7	-23	0	0	0	110.5	K63 L64 K65 M69 S70	K63-D67 PolarHBondContact O-N 3.18Å; L64-D67 WeakPolarHBondContact O-CB 3.3Å; L64-D67 PolarHBondContact O-N 3.13Å; K65-D67 VanDerWaalsContact C-N 3.27Å; K65-D67 PolarHBondContact O-N 3.09Å; D67-M69 PolarHBondContact O-N 3.49Å; D67-S70 PolarHBondContact O-N 3.45Å; D67-S70 PolarHBondContact O-OG 3.13Å
68	E	93.1	Very high	94.6	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.042	31%	0.305	C	S	.	.	H	α-helix	trans	-59.7	-45.8	175.8	-66.7	-56.8	162.6	0	0	113.2	L64 K65 S70 R71 F74 S90 L92 Y451 V455	L64-E68 WeakPolarHBondContact O-CG 3.34Å; L64-E68 PolarHBondContact O-N 3.34Å; L64-E68 VanDerWaalsContact O-N 3.09Å; K65-E68 PolarHBondContact O-N 2.84Å; E68-S70 PolarHBondContact O-N 3.31Å; E68-R71 VanDerWaalsContact O-CB 3.29Å; E68-R71 WeakPolarHBondContact O-CB 3.45Å; E68-R71 VanDerWaalsContact O-CG 3.25Å; E68-R71 WeakPolarHBondContact O-CG 3.28Å; E68-R71 PolarHBondContact O-N 3.4Å; E68-R71 WeakPolarHBondContact OE2-CD 3.42Å; E68-F74 WeakPolarHBondContact O-CD2 3.04Å; E68-S90 WeakPolarHBondContact OE1-CB 3.5Å; E68-S90 PolarHBondContact OE1-OG 3.49Å; E68-L92 HydrophobicContact CG-CB 4.46Å; E68-L92 HydrophobicContact CG-CD2 4.16Å; E68-Y451 PolarHBondContact OE2-OH 3.14Å; E68-V455 HydrophobicContact CB-CG1 4.27Å
69	M	90.7	Very high	94.7	Very high	66 Å²	66	56.9 Å²	56.9	33%	0.325	30%	0.299	S	S	.	.	H	α-helix	trans	-71.7	-19.5	-177.1	-66.8	-173.4	76	0	0	113.3	K65 Q66 D67 R71 F74 V455 V460	K65-M69 HydrophobicContact CD-SD 4.46Å; K65-M69 HydrophobicContact CG-CG 4.32Å; K65-M69 HydrophobicContact CG-SD 4.06Å; K65-M69 WeakPolarHBondContact O-CB 3.43Å; K65-M69 VanDerWaalsContact O-CG 3.27Å; K65-M69 WeakPolarHBondContact O-CG 3.33Å; K65-M69 PolarHBondContact O-N 3.44Å; Q66-M69 PolarHBondContact O-N 2.65Å; D67-M69 PolarHBondContact O-N 3.49Å; M69-R71 VanDerWaalsContact C-N 3.32Å; M69-F74 HydrophobicContact CB-CE2 4.44Å; M69-F74 HydrophobicContact CG-CE2 3.96Å; M69-F74 HydrophobicContact CG-CZ 4.47Å; M69-V455 HydrophobicContact CG-CG1 4.49Å; M69-V460 HydrophobicContact CE-CB 4.5Å; M69-V460 HydrophobicContact CE-CG2 3.43Å; M69-V460 VanDerWaalsContact CE-CG2 3.43Å; M69-V460 HydrophobicContact SD-CB 4.34Å; M69-V460 HydrophobicContact SD-CG2 3.54Å; M69-V460 VanDerWaalsContact SD-CG2 3.54Å
70	S	91.4	Very high	94.8	Very high	93 Å²	93	54 Å²	54	65%	0.65	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-10	176.1	75.7	0	0	0	0	113.6	Q66 D67 E68	Q66-S70 WeakPolarHBondContact O-CB 3.1Å; Q66-S70 PolarHBondContact O-N 3.28Å; Q66-S70 PolarHBondContact O-OG 2.91Å; D67-S70 PolarHBondContact O-N 3.45Å; D67-S70 PolarHBondContact O-OG 3.13Å; E68-S70 PolarHBondContact O-N 3.31Å
71	R	91.6	Very high	94.9	Very high	89 Å²	89	53 Å²	53	34%	0.336	27%	0.269	S	S	.	.			trans	-64.7	141.9	-179.1	-65.4	-179.7	65.6	103.5	8.2	111.8	E68 M69 D73	E68-R71 VanDerWaalsContact O-CB 3.29Å; E68-R71 WeakPolarHBondContact O-CB 3.45Å; E68-R71 VanDerWaalsContact O-CG 3.25Å; E68-R71 WeakPolarHBondContact O-CG 3.28Å; E68-R71 PolarHBondContact O-N 3.4Å; E68-R71 WeakPolarHBondContact OE2-CD 3.42Å; M69-R71 VanDerWaalsContact C-N 3.32Å; R71-D73 VanDerWaalsContact C-N 3.33Å; R71-D73 IonicContact CZ-OD1 3.4Å; R71-D73 IonicContact CZ-OD2 2.98Å; R71-D73 IonicContact NE-OD1 3.07Å; R71-D73 PolarHBondContact NE-OD1 3.41Å; R71-D73 VanDerWaalsContact NH2-CG 3.29Å; R71-D73 IonicContact NH2-OD1 3.86Å; R71-D73 PolarHBondContact NH2-OD1 3.31Å; R71-D73 IonicContact NH2-OD2 3.12Å; R71-D73 PolarHBondContact NH2-OD2 3.35Å
72	K	91.2	Very high	95	Very high	217 Å²	217	57.5 Å²	57.5	94%	0.943	29%	0.288	S	S	*	.	S	Bend	trans	-68	-36.5	171.9	-173.5	178.6	177.9	-177.9	0	111.7	F74	K72-F74 PolarHBondContact O-N 3.29Å
73	D	93.8	Very high	95	Very high	61 Å²	61	55 Å²	55	33%	0.326	27%	0.267	S	S	.	.	S	Bend	trans	-97.9	62.5	176.8	59.2	-17.3	0	0	0	110.3	R71 P75 M78 L86	R71-D73 VanDerWaalsContact C-N 3.33Å; R71-D73 IonicContact CZ-OD1 3.4Å; R71-D73 IonicContact CZ-OD2 2.98Å; R71-D73 IonicContact NE-OD1 3.07Å; R71-D73 PolarHBondContact NE-OD1 3.41Å; R71-D73 VanDerWaalsContact NH2-CG 3.29Å; R71-D73 IonicContact NH2-OD1 3.86Å; R71-D73 PolarHBondContact NH2-OD1 3.31Å; R71-D73 IonicContact NH2-OD2 3.12Å; R71-D73 PolarHBondContact NH2-OD2 3.35Å; D73-P75 WeakPolarHBondContact O-CD 3.48Å; D73-P75 VanDerWaalsContact O-N 3.15Å; D73-M78 HydrophobicContact CB-SD 4.04Å; D73-L86 HydrophobicContact CB-CD1 4.14Å; D73-L86 WeakPolarHBondContact OD2-CD1 3.48Å
74	F	96.3	Very high	95.1	Very high	14 Å²	14	51.3 Å²	51.3	6%	0.061	25%	0.25	C	S	.	.			trans	-63.9	110.3	-175.5	-179.3	-117.6	0	0	0	111.7	E68 M69 K72 P76 S77 R417 V455	E68-F74 WeakPolarHBondContact O-CD2 3.04Å; M69-F74 HydrophobicContact CB-CE2 4.44Å; M69-F74 HydrophobicContact CG-CE2 3.96Å; M69-F74 HydrophobicContact CG-CZ 4.47Å; K72-F74 PolarHBondContact O-N 3.29Å; F74-P76 HydrophobicContact CD1-CB 4.39Å; F74-P76 HydrophobicContact CD1-CG 4.46Å; F74-P76 HydrophobicContact CE1-CB 3.74Å; F74-P76 HydrophobicContact CE1-CG 3.78Å; F74-P76 HydrophobicContact CE2-CG 4.11Å; F74-P76 HydrophobicContact CZ-CB 4.06Å; F74-P76 HydrophobicContact CZ-CG 3.6Å; F74-S77 PolarHBondContact O-N 3Å; F74-S77 PolarHBondContact O-OG 3.17Å; F74-R417 HydrophobicContact CE1-CG 3.85Å; F74-V455 HydrophobicContact CE2-CG1 3.62Å; F74-V455 HydrophobicContact CZ-CG1 3.84Å
75	P	96.9	Very high	95.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-57	-44.1	-166.4	-25.1	33.9	0	0	0	115.1	D73 S77 M78 A83 L86 I87 Y451	D73-P75 WeakPolarHBondContact O-CD 3.48Å; D73-P75 VanDerWaalsContact O-N 3.15Å; P75-S77 PolarHBondContact O-N 3.38Å; P75-S77 VanDerWaalsContact O-N 3.09Å; P75-M78 WeakPolarHBondContact O-CB 3.38Å; P75-M78 PolarHBondContact O-N 2.9Å; P75-A83 HydrophobicContact CB-CB 4.03Å; P75-L86 HydrophobicContact CG-CB 4.04Å; P75-L86 HydrophobicContact CG-CD1 4.44Å; P75-I87 HydrophobicContact CB-CD1 4.19Å; P75-I87 HydrophobicContact CB-CG1 3.69Å; P75-I87 HydrophobicContact CG-CG1 4.42Å; P75-Y451 HydrophobicContact CB-CE1 4.26Å
76	P	97.1	Very high	95.2	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-64.3	-16.4	179.4	-24.4	35.2	0	0	0	115.6	F74 L416 Y451 E452 V455 G456	F74-P76 HydrophobicContact CD1-CB 4.39Å; F74-P76 HydrophobicContact CD1-CG 4.46Å; F74-P76 HydrophobicContact CE1-CB 3.74Å; F74-P76 HydrophobicContact CE1-CG 3.78Å; F74-P76 HydrophobicContact CE2-CG 4.11Å; F74-P76 HydrophobicContact CZ-CB 4.06Å; F74-P76 HydrophobicContact CZ-CG 3.6Å; P76-L416 HydrophobicContact CB-CB 4.34Å; P76-L416 WeakPolarHBondContact O-CB 3.47Å; P76-L416 PolarHBondContact O-N 3.02Å; P76-Y451 HydrophobicContact CG-CE1 4.19Å; P76-E452 VanDerWaalsContact CA-OE2 3.24Å; P76-E452 WeakPolarHBondContact CA-OE2 3.4Å; P76-E452 WeakPolarHBondContact CB-OE2 3.1Å; P76-E452 WeakPolarHBondContact CG-OE2 3.49Å; P76-V455 HydrophobicContact CG-CB 4.19Å; P76-V455 HydrophobicContact CG-CG1 4.01Å; P76-G456 VanDerWaalsContact CB-CA 3.43Å
77	S	96.9	Very high	95.4	Very high	39 Å²	39	53.4 Å²	53.4	27%	0.273	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-88.8	-8.4	174.1	69.2	0	0	0	0	113.7	F74 P75 D415	F74-S77 PolarHBondContact O-N 3Å; F74-S77 PolarHBondContact O-OG 3.17Å; P75-S77 PolarHBondContact O-N 3.38Å; P75-S77 VanDerWaalsContact O-N 3.09Å; S77-D415 WeakPolarHBondContact CA-OD1 3.47Å
78	M	97.3	Very high	95.6	Very high	51 Å²	51	54.7 Å²	54.7	25%	0.251	26%	0.256	S	S	.	.	S	Bend	trans	-100.9	153.2	178.6	-60.4	171.2	62.2	0	0	109.5	D73 P75 F80 K82 A83 L86 Q408	D73-M78 HydrophobicContact CB-SD 4.04Å; P75-M78 WeakPolarHBondContact O-CB 3.38Å; P75-M78 PolarHBondContact O-N 2.9Å; M78-F80 PolarHBondContact O-N 3.38Å; M78-K82 HydrophobicContact CE-CB 4.08Å; M78-A83 HydrophobicContact CB-CB 4.09Å; M78-L86 HydrophobicContact CE-CD1 4.18Å; M78-L86 HydrophobicContact SD-CD1 3.98Å; M78-Q408 PolarHBondContact O-NE2 2.85Å; M78-Q408 PolarHBondContact O-OE1 3.42Å
79	H	98.3	Very high	95.7	Very high	20 Å²	20	58.1 Å²	58.1	9%	0.093	29%	0.285	C	S	.	.			trans	-59.4	133.8	170	-170.7	-68.6	0	0	0	110.4	F81 K82 A83 P188	H79-F81 VanDerWaalsContact C-N 3.29Å; H79-F81 AromaticContact CE1-CD2 3.41Å; H79-F81 VanDerWaalsContact CE1-CD2 3.41Å; H79-F81 WeakPolarHBondContact CE1-CD2 3.35Å; H79-F81 AromaticContact CE1-CE2 3.62Å; H79-F81 AromaticContact CE1-CG 3.62Å; H79-F81 AromaticContact ND1-CD2 3.84Å; H79-F81 AromaticContact ND1-CG 3.7Å; H79-F81 PolarHBondContact ND1-N 3.29Å; H79-F81 PolarHBondContact O-N 3.03Å; H79-F81 VanDerWaalsContact O-N 3.12Å; H79-K82 WeakPolarHBondContact O-CA 3.49Å; H79-K82 WeakPolarHBondContact O-CB 3.46Å; H79-K82 PolarHBondContact O-N 3.37Å; H79-A83 PolarHBondContact O-N 2.88Å; H79-P188 HydrophobicContact CB-CG 4.05Å
80	F	98.4	Very high	96	Very high	1 Å²	1	55.2 Å²	55.2	0%	0.004	27%	0.272	C	S	.	.	H	α-helix	trans	-49.6	-44.9	-172.1	179.6	-107.4	0	0	0	113.3	M78 K82 A83 R84 I87 I405 V409 S443	M78-F80 PolarHBondContact O-N 3.38Å; F80-K82 PolarHBondContact O-N 3.24Å; F80-K82 VanDerWaalsContact O-N 3.16Å; F80-A83 CarbonylContact O-C 3.21Å; F80-A83 PolarHBondContact O-N 2.9Å; F80-R84 HydrophobicContact CE1-CB 4.3Å; F80-R84 HydrophobicContact CE1-CG 4.28Å; F80-R84 HydrophobicContact CE2-CB 4.38Å; F80-R84 HydrophobicContact CZ-CB 4.09Å; F80-R84 HydrophobicContact CZ-CG 3.92Å; F80-R84 WeakPolarHBondContact O-CB 3.42Å; F80-R84 PolarHBondContact O-N 3.36Å; F80-I87 HydrophobicContact CD2-CD1 4.04Å; F80-I87 HydrophobicContact CE2-CD1 3.91Å; F80-I405 HydrophobicContact CB-CG2 4.14Å; F80-I405 HydrophobicContact CD1-CG2 3.71Å; F80-I405 HydrophobicContact CD2-CD1 3.74Å; F80-I405 HydrophobicContact CD2-CG1 3.99Å; F80-I405 HydrophobicContact CD2-CG2 4.3Å; F80-I405 HydrophobicContact CE1-CD1 4.41Å; F80-I405 HydrophobicContact CE1-CG2 4.23Å; F80-I405 HydrophobicContact CE2-CD1 3.54Å; F80-I405 HydrophobicContact CE2-CG1 4.3Å; F80-I405 HydrophobicContact CG-CD1 4.28Å; F80-I405 HydrophobicContact CG-CG1 4.29Å; F80-I405 HydrophobicContact CG-CG2 3.77Å; F80-I405 HydrophobicContact CZ-CD1 3.91Å; F80-V409 HydrophobicContact CB-CG2 4.39Å; F80-S443 VanDerWaalsContact CZ-CB 3.49Å
81	F	97.9	Very high	96.2	Very high	14 Å²	14	55.1 Å²	55.1	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-56.1	-34.9	178.1	-55.8	-16	0	0	0	114	H79 L182 F183 T184 P188 Y192 V409 F441	H79-F81 VanDerWaalsContact C-N 3.29Å; H79-F81 AromaticContact CE1-CD2 3.41Å; H79-F81 VanDerWaalsContact CE1-CD2 3.41Å; H79-F81 WeakPolarHBondContact CE1-CD2 3.35Å; H79-F81 AromaticContact CE1-CE2 3.62Å; H79-F81 AromaticContact CE1-CG 3.62Å; H79-F81 AromaticContact ND1-CD2 3.84Å; H79-F81 AromaticContact ND1-CG 3.7Å; H79-F81 PolarHBondContact ND1-N 3.29Å; H79-F81 PolarHBondContact O-N 3.03Å; H79-F81 VanDerWaalsContact O-N 3.12Å; F81-L182 HydrophobicContact CE2-CB 4.44Å; F81-L182 WeakPolarHBondContact CE2-O 3.32Å; F81-L182 HydrophobicContact CZ-CB 3.91Å; F81-L182 WeakPolarHBondContact CZ-O 3.48Å; F81-F183 HydrophobicContact CB-CD2 4.09Å; F81-F183 HydrophobicContact CB-CE2 4.09Å; F81-F183 AromaticContact CD1-CD2 3.97Å; F81-F183 HydrophobicContact CD1-CD2 3.97Å; F81-F183 AromaticContact CG-CD2 3.99Å; F81-F183 HydrophobicContact CG-CD2 3.99Å; F81-F183 HydrophobicContact CG-CE2 4.5Å; F81-T184 HydrophobicContact CD2-CG2 4.14Å; F81-T184 HydrophobicContact CE2-CG2 4.49Å; F81-P188 HydrophobicContact CD2-CB 3.92Å; F81-P188 HydrophobicContact CD2-CG 4.31Å; F81-P188 HydrophobicContact CE2-CB 4.39Å; F81-Y192 HydrophobicContact CE2-CE2 4.2Å; F81-V409 HydrophobicContact CD1-CG2 4.45Å; F81-V409 HydrophobicContact CE1-CG1 4.18Å; F81-V409 HydrophobicContact CE1-CG2 3.68Å; F81-V409 HydrophobicContact CE2-CG1 4.39Å; F81-V409 HydrophobicContact CZ-CB 4.41Å; F81-V409 HydrophobicContact CZ-CG1 3.58Å; F81-V409 HydrophobicContact CZ-CG2 3.89Å; F81-F441 HydrophobicContact CE1-CB 4.43Å; F81-F441 VanDerWaalsContact CE1-O 3.28Å; F81-F441 WeakPolarHBondContact CE1-O 3.48Å
82	K	97	Very high	96.5	Very high	97 Å²	97	50.9 Å²	50.9	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-79.4	-35.7	174.6	-57.4	-176.3	-173.8	178.9	0	111.4	M78 H79 F80 D187	M78-K82 HydrophobicContact CE-CB 4.08Å; H79-K82 WeakPolarHBondContact O-CA 3.49Å; H79-K82 WeakPolarHBondContact O-CB 3.46Å; H79-K82 PolarHBondContact O-N 3.37Å; F80-K82 PolarHBondContact O-N 3.24Å; F80-K82 VanDerWaalsContact O-N 3.16Å; K82-D187 WeakPolarHBondContact CE-OD1 3.42Å; K82-D187 IonicContact NZ-OD1 2.69Å; K82-D187 PolarHBondContact NZ-OD1 2.71Å; K82-D187 IonicContact NZ-OD2 3.66Å; K82-D187 PolarHBondContact NZ-OD2 2.86Å
83	A	97	Very high	96.8	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-77.7	-27.2	-176.3	0	0	0	0	0	113.9	P75 M78 H79 F80 R85 L86 I87	P75-A83 HydrophobicContact CB-CB 4.03Å; M78-A83 HydrophobicContact CB-CB 4.09Å; H79-A83 PolarHBondContact O-N 2.88Å; F80-A83 CarbonylContact O-C 3.21Å; F80-A83 PolarHBondContact O-N 2.9Å; A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 2.68Å; A83-R85 VanDerWaalsContact O-N 3.15Å; A83-L86 WeakPolarHBondContact O-CA 3.11Å; A83-L86 VanDerWaalsContact O-CB 3.28Å; A83-L86 WeakPolarHBondContact O-CB 3.34Å; A83-L86 PolarHBondContact O-N 3.12Å; A83-I87 HydrophobicContact CB-CD1 4.11Å; A83-I87 PolarHBondContact O-N 2.88Å
84	R	95.6	Very high	97	Very high	47 Å²	47	39.1 Å²	39.1	18%	0.177	21%	0.207	C	C	.	.	H	α-helix	trans	-52.3	-44.7	-167.4	-178.3	-179.5	69.3	177.1	-2.5	113.6	F80 L86 I87 Q88 F183 G442	F80-R84 HydrophobicContact CE1-CB 4.3Å; F80-R84 HydrophobicContact CE1-CG 4.28Å; F80-R84 HydrophobicContact CE2-CB 4.38Å; F80-R84 HydrophobicContact CZ-CB 4.09Å; F80-R84 HydrophobicContact CZ-CG 3.92Å; F80-R84 WeakPolarHBondContact O-CB 3.42Å; F80-R84 PolarHBondContact O-N 3.36Å; R84-L86 VanDerWaalsContact C-N 3.29Å; R84-L86 PolarHBondContact O-N 2.88Å; R84-I87 PolarHBondContact O-N 3.02Å; R84-Q88 HydrophobicContact CG-CG 4.3Å; R84-Q88 WeakPolarHBondContact O-CB 2.84Å; R84-Q88 VanDerWaalsContact O-CG 3.26Å; R84-Q88 WeakPolarHBondContact O-CG 3.4Å; R84-Q88 PolarHBondContact O-N 3.26Å; R84-F183 VanDerWaalsContact NH2-CE2 3.27Å; R84-G442 WeakPolarHBondContact CD-O 3.45Å; R84-G442 PolarHBondContact NH1-O 3.21Å
85	R	95.8	Very high	97.1	Very high	178 Å²	178	39.1 Å²	39.1	67%	0.672	21%	0.207	S	C	*	.	H	α-helix	trans	-65.7	-33.2	179.4	-69.1	-174	-177	164.6	6.2	112.3	A83 A89	A83-R85 VanDerWaalsContact C-N 3.32Å; A83-R85 PolarHBondContact O-N 2.68Å; A83-R85 VanDerWaalsContact O-N 3.15Å; R85-A89 WeakPolarHBondContact O-CB 3.29Å; R85-A89 PolarHBondContact O-N 3.41Å
86	L	96.8	Very high	97.2	Very high	40 Å²	40	39.1 Å²	39.1	21%	0.209	21%	0.207	C	C	.	.	H	α-helix	trans	-69.6	-44.4	175.4	-54.8	177.3	0	0	0	110.3	D73 P75 M78 A83 R84 A89 S90	D73-L86 HydrophobicContact CB-CD1 4.14Å; D73-L86 WeakPolarHBondContact OD2-CD1 3.48Å; P75-L86 HydrophobicContact CG-CB 4.04Å; P75-L86 HydrophobicContact CG-CD1 4.44Å; M78-L86 HydrophobicContact CE-CD1 4.18Å; M78-L86 HydrophobicContact SD-CD1 3.98Å; A83-L86 WeakPolarHBondContact O-CA 3.11Å; A83-L86 VanDerWaalsContact O-CB 3.28Å; A83-L86 WeakPolarHBondContact O-CB 3.34Å; A83-L86 PolarHBondContact O-N 3.12Å; R84-L86 VanDerWaalsContact C-N 3.29Å; R84-L86 PolarHBondContact O-N 2.88Å; L86-A89 PolarHBondContact O-N 3.29Å; L86-S90 PolarHBondContact O-N 3.15Å
87	I	97.5	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-47.6	176.4	-61.6	172.9	0	0	0	110.2	P75 F80 A83 R84 A89 S90 F93 Y451 E452	P75-I87 HydrophobicContact CB-CD1 4.19Å; P75-I87 HydrophobicContact CB-CG1 3.69Å; P75-I87 HydrophobicContact CG-CG1 4.42Å; F80-I87 HydrophobicContact CD2-CD1 4.04Å; F80-I87 HydrophobicContact CE2-CD1 3.91Å; A83-I87 HydrophobicContact CB-CD1 4.11Å; A83-I87 PolarHBondContact O-N 2.88Å; R84-I87 PolarHBondContact O-N 3.02Å; I87-A89 PolarHBondContact O-N 2.93Å; I87-S90 WeakPolarHBondContact O-CB 3.26Å; I87-S90 PolarHBondContact O-N 3.17Å; I87-F93 HydrophobicContact CG2-CB 4.22Å; I87-F93 HydrophobicContact CG2-CD1 4.42Å; I87-F93 HydrophobicContact CG2-CD2 3.51Å; I87-F93 HydrophobicContact CG2-CE2 3.91Å; I87-F93 HydrophobicContact CG2-CG 3.79Å; I87-F93 WeakPolarHBondContact O-CB 3.45Å; I87-F93 WeakPolarHBondContact O-CD1 3.15Å; I87-F93 WeakPolarHBondContact O-CG 3.49Å; I87-Y451 HydrophobicContact CB-CE1 4.48Å; I87-Y451 HydrophobicContact CD1-CD1 4.02Å; I87-Y451 HydrophobicContact CD1-CE1 4.05Å; I87-Y451 HydrophobicContact CG1-CD1 3.99Å; I87-Y451 HydrophobicContact CG1-CE1 3.69Å; I87-Y451 HydrophobicContact CG2-CD1 3.89Å; I87-Y451 HydrophobicContact CG2-CD2 4.15Å; I87-Y451 HydrophobicContact CG2-CE1 4.22Å; I87-Y451 HydrophobicContact CG2-CE2 4.43Å; I87-Y451 HydrophobicContact CG2-CG 3.87Å; I87-E452 VanDerWaalsContact CD1-OE1 3.23Å; I87-E452 WeakPolarHBondContact CD1-OE1 3.35Å
88	Q	96.3	Very high	97.3	Very high	112 Å²	112	44.7 Å²	44.7	52%	0.523	23%	0.229	S	C	.	.	H	α-helix	trans	-62	-28.5	178.8	-73.9	171.5	-23.8	0	0	113.4	R84 S90 F93	R84-Q88 HydrophobicContact CG-CG 4.3Å; R84-Q88 WeakPolarHBondContact O-CB 2.84Å; R84-Q88 VanDerWaalsContact O-CG 3.26Å; R84-Q88 WeakPolarHBondContact O-CG 3.4Å; R84-Q88 PolarHBondContact O-N 3.26Å; Q88-S90 VanDerWaalsContact C-N 3.33Å; Q88-F93 HydrophobicContact CG-CE1 4.43Å
89	A	96.4	Very high	97.4	Very high	80 Å²	80	42.2 Å²	42.2	66%	0.661	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.9	176	0	0	0	0	0	113.4	R85 L86 I87	R85-A89 WeakPolarHBondContact O-CB 3.29Å; R85-A89 PolarHBondContact O-N 3.41Å; L86-A89 PolarHBondContact O-N 3.29Å; I87-A89 PolarHBondContact O-N 2.93Å
90	S	96.5	Very high	97.4	Very high	6 Å²	6	41.3 Å²	41.3	4%	0.042	21%	0.213	C	C	.	.			trans	-72	127.2	-177.3	173.1	0	0	0	0	111.8	E68 L86 I87 Q88 L92 F93 G94	E68-S90 WeakPolarHBondContact OE1-CB 3.5Å; E68-S90 PolarHBondContact OE1-OG 3.49Å; L86-S90 PolarHBondContact O-N 3.15Å; I87-S90 WeakPolarHBondContact O-CB 3.26Å; I87-S90 PolarHBondContact O-N 3.17Å; Q88-S90 VanDerWaalsContact C-N 3.33Å; S90-L92 PolarHBondContact O-N 3.22Å; S90-L92 WeakPolarHBondContact OG-CB 3.37Å; S90-L92 PolarHBondContact OG-N 2.84Å; S90-L92 VanDerWaalsContact OG-N 3.13Å; S90-F93 WeakPolarHBondContact O-CB 3.49Å; S90-F93 PolarHBondContact O-N 3.41Å; S90-F93 VanDerWaalsContact O-N 3.17Å; S90-F93 PolarHBondContact OG-N 3.2Å; S90-G94 PolarHBondContact O-N 3.06Å; S90-G94 VanDerWaalsContact O-N 3.09Å
91	P	96.6	Very high	97.4	Very high	90 Å²	90	41.3 Å²	41.3	58%	0.584	21%	0.212	S	C	*	.	H	α-helix	trans	-61.8	-31.1	169.5	-21.6	33	0	0	0	112.7	L64 G94 L95	L64-P91 HydrophobicContact CD2-CB 4.11Å; P91-G94 PolarHBondContact O-N 2.87Å; P91-L95 PolarHBondContact O-N 3.32Å; P91-L95 VanDerWaalsContact O-N 3.13Å
92	L	96.9	Very high	97.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-44.4	173.9	178.5	60.7	0	0	0	110.7	L61 L64 K65 E68 S90 G94 L95 L96 Y451 F454 V455	L61-L92 HydrophobicContact CD2-CD1 3.42Å; L61-L92 VanDerWaalsContact CD2-CD1 3.42Å; L64-L92 HydrophobicContact CB-CB 4.11Å; L64-L92 HydrophobicContact CB-CD1 4.32Å; K65-L92 HydrophobicContact CB-CD2 4.3Å; E68-L92 HydrophobicContact CG-CB 4.46Å; E68-L92 HydrophobicContact CG-CD2 4.16Å; S90-L92 PolarHBondContact O-N 3.22Å; S90-L92 WeakPolarHBondContact OG-CB 3.37Å; S90-L92 PolarHBondContact OG-N 2.84Å; S90-L92 VanDerWaalsContact OG-N 3.13Å; L92-G94 PolarHBondContact O-N 3.25Å; L92-L95 WeakPolarHBondContact O-CB 3.38Å; L92-L95 PolarHBondContact O-N 3.43Å; L92-L96 HydrophobicContact CG-CD1 4.49Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.47Å; L92-Y451 HydrophobicContact CD2-CE2 4.38Å; L92-F454 HydrophobicContact CD1-CE1 4.19Å; L92-F454 HydrophobicContact CD2-CD1 4.22Å; L92-F454 HydrophobicContact CD2-CE1 4.3Å; L92-V455 HydrophobicContact CD2-CG2 3.48Å; L92-V455 VanDerWaalsContact CD2-CG2 3.48Å
93	F	98.2	Very high	97.5	Very high	5 Å²	5	36 Å²	36	2%	0.022	19%	0.189	C	C	.	.	H	α-helix	trans	-60.1	-44.8	175.8	-179	-108.2	0	0	0	111.9	I87 Q88 S90 L95 L96 Q97 Y451	I87-F93 HydrophobicContact CG2-CB 4.22Å; I87-F93 HydrophobicContact CG2-CD1 4.42Å; I87-F93 HydrophobicContact CG2-CD2 3.51Å; I87-F93 HydrophobicContact CG2-CE2 3.91Å; I87-F93 HydrophobicContact CG2-CG 3.79Å; I87-F93 WeakPolarHBondContact O-CB 3.45Å; I87-F93 WeakPolarHBondContact O-CD1 3.15Å; I87-F93 WeakPolarHBondContact O-CG 3.49Å; Q88-F93 HydrophobicContact CG-CE1 4.43Å; S90-F93 WeakPolarHBondContact O-CB 3.49Å; S90-F93 PolarHBondContact O-N 3.41Å; S90-F93 VanDerWaalsContact O-N 3.17Å; S90-F93 PolarHBondContact OG-N 3.2Å; F93-L95 VanDerWaalsContact C-N 3.26Å; F93-L95 PolarHBondContact O-N 3.47Å; F93-L96 CarbonylContact O-C 3.53Å; F93-L96 WeakPolarHBondContact O-CA 3.43Å; F93-L96 WeakPolarHBondContact O-CB 3.3Å; F93-L96 PolarHBondContact O-N 3.33Å; F93-Q97 HydrophobicContact CD1-CG 4.22Å; F93-Q97 HydrophobicContact CE1-CG 3.84Å; F93-Q97 HydrophobicContact CE2-CG 4.44Å; F93-Q97 HydrophobicContact CZ-CG 3.96Å; F93-Q97 WeakPolarHBondContact O-CG 3.31Å; F93-Q97 PolarHBondContact O-N 3.33Å; F93-Y451 HydrophobicContact CB-CD2 4.03Å; F93-Y451 HydrophobicContact CB-CE2 4.44Å; F93-Y451 HydrophobicContact CD2-CD2 4.26Å; F93-Y451 HydrophobicContact CD2-CG 4.36Å
94	G	97.9	Very high	97.6	Very high	27 Å²	27	36 Å²	36	28%	0.278	19%	0.189	S	C	.	.	H	α-helix	trans	-57	-38.7	174.8	0	0	0	0	0	113	S90 P91 L92 Q97 E98	S90-G94 PolarHBondContact O-N 3.06Å; S90-G94 VanDerWaalsContact O-N 3.09Å; P91-G94 PolarHBondContact O-N 2.87Å; L92-G94 PolarHBondContact O-N 3.25Å; G94-Q97 PolarHBondContact O-N 2.88Å; G94-E98 PolarHBondContact O-N 2.94Å
95	L	97.8	Very high	97.8	Very high	13 Å²	13	33.8 Å²	33.8	7%	0.068	18%	0.181	C	C	.	.	H	α-helix	trans	-67.8	-37	174.6	-174.5	64.2	0	0	0	112.5	L57 L60 L61 L64 P91 L92 F93 E98 M99 F499 N503	L57-L95 HydrophobicContact CD1-CD2 4.11Å; L60-L95 HydrophobicContact CD2-CD2 4.49Å; L61-L95 HydrophobicContact CD2-CD2 3.48Å; L61-L95 VanDerWaalsContact CD2-CD2 3.48Å; L61-L95 HydrophobicContact CD2-CG 4.46Å; L61-L95 HydrophobicContact CG-CD2 4.09Å; L64-L95 HydrophobicContact CD1-CD2 4.27Å; P91-L95 PolarHBondContact O-N 3.32Å; P91-L95 VanDerWaalsContact O-N 3.13Å; L92-L95 WeakPolarHBondContact O-CB 3.38Å; L92-L95 PolarHBondContact O-N 3.43Å; F93-L95 VanDerWaalsContact C-N 3.26Å; F93-L95 PolarHBondContact O-N 3.47Å; L95-E98 PolarHBondContact O-N 3.38Å; L95-M99 PolarHBondContact O-N 3.09Å; L95-M99 VanDerWaalsContact O-N 3.17Å; L95-F499 HydrophobicContact CD1-CE2 3.64Å; L95-F499 HydrophobicContact CD1-CZ 3.85Å; L95-F499 HydrophobicContact CG-CE2 4.22Å; L95-F499 HydrophobicContact CG-CZ 4.07Å; L95-F499 WeakPolarHBondContact O-CE2 3.47Å; L95-N503 HydrophobicContact CD1-CB 3.73Å
96	L	98.3	Very high	97.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	15%	0.149	C	C	.	.	H	α-helix	trans	-69.5	-30.6	174.9	-66.1	176.3	0	0	0	112.8	L92 F93 E98 M99 K101 S447 Y451 L467	L92-L96 HydrophobicContact CG-CD1 4.49Å; L92-L96 WeakPolarHBondContact O-CG 3.46Å; L92-L96 PolarHBondContact O-N 3.47Å; F93-L96 CarbonylContact O-C 3.53Å; F93-L96 WeakPolarHBondContact O-CA 3.43Å; F93-L96 WeakPolarHBondContact O-CB 3.3Å; F93-L96 PolarHBondContact O-N 3.33Å; L96-E98 VanDerWaalsContact C-N 3.34Å; L96-M99 HydrophobicContact CD2-CE 4.37Å; L96-M99 HydrophobicContact CD2-SD 4.28Å; L96-M99 WeakPolarHBondContact O-CB 3.42Å; L96-M99 PolarHBondContact O-N 2.98Å; L96-K101 PolarHBondContact O-NZ 3.15Å; L96-S447 PolarHBondContact O-OG 3.47Å; L96-Y451 HydrophobicContact CD1-CD2 4.22Å; L96-L467 HydrophobicContact CD2-CD1 3.88Å; L96-L467 HydrophobicContact CD2-CD2 3.95Å
97	Q	98.4	Very high	98	Very high	80 Å²	80	23.4 Å²	23.4	37%	0.374	14%	0.139	S	C	.	.	H	α-helix	trans	-62.6	-42	171.1	-69.3	-175.9	-71	0	0	111.6	F93 G94 M99 K101 S447	F93-Q97 HydrophobicContact CD1-CG 4.22Å; F93-Q97 HydrophobicContact CE1-CG 3.84Å; F93-Q97 HydrophobicContact CE2-CG 4.44Å; F93-Q97 HydrophobicContact CZ-CG 3.96Å; F93-Q97 WeakPolarHBondContact O-CG 3.31Å; F93-Q97 PolarHBondContact O-N 3.33Å; G94-Q97 PolarHBondContact O-N 2.88Å; Q97-M99 VanDerWaalsContact C-N 3.28Å; Q97-M99 PolarHBondContact O-N 3.49Å; Q97-K101 PolarHBondContact O-NZ 3.46Å; Q97-S447 VanDerWaalsContact CA-OG 3.32Å; Q97-S447 WeakPolarHBondContact CA-OG 3.32Å
98	E	98.2	Very high	98.1	Very high	75 Å²	75	24.3 Å²	24.3	35%	0.35	14%	0.143	S	C	.	.	H	α-helix	trans	-71.4	-21.6	176.2	-63.6	-169.2	175.3	0	0	113.9	G94 L95 L96 N234 F499 K502 N503	G94-E98 PolarHBondContact O-N 2.94Å; L95-E98 PolarHBondContact O-N 3.38Å; L96-E98 VanDerWaalsContact C-N 3.34Å; E98-N234 PolarHBondContact O-ND2 3Å; E98-F499 HydrophobicContact CB-CD2 4.12Å; E98-F499 HydrophobicContact CB-CE2 4.04Å; E98-K502 IonicContact OE1-NZ 2.72Å; E98-K502 PolarHBondContact OE1-NZ 3Å; E98-K502 WeakPolarHBondContact OE2-CE 3.32Å; E98-K502 IonicContact OE2-NZ 2.73Å; E98-K502 PolarHBondContact OE2-NZ 3.33Å; E98-N503 PolarHBondContact OE2-ND2 3.46Å
99	M	98.8	Very high	97.9	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-67.5	131.5	-175.7	-172.4	-176.7	74.3	0	0	111.2	L95 L96 Q97 K101 F450 L467 W496 F499	L95-M99 PolarHBondContact O-N 3.09Å; L95-M99 VanDerWaalsContact O-N 3.17Å; L96-M99 HydrophobicContact CD2-CE 4.37Å; L96-M99 HydrophobicContact CD2-SD 4.28Å; L96-M99 WeakPolarHBondContact O-CB 3.42Å; L96-M99 PolarHBondContact O-N 2.98Å; Q97-M99 VanDerWaalsContact C-N 3.28Å; Q97-M99 PolarHBondContact O-N 3.49Å; M99-K101 HydrophobicContact CE-CD 4.48Å; M99-K101 HydrophobicContact CE-CG 3.51Å; M99-K101 PolarHBondContact O-N 3.42Å; M99-K101 PolarHBondContact O-NZ 2.99Å; M99-K101 VanDerWaalsContact O-NZ 3.12Å; M99-F450 HydrophobicContact CE-CD1 3.5Å; M99-F450 HydrophobicContact CE-CE1 3.59Å; M99-F450 HydrophobicContact CE-CG 4.34Å; M99-F450 HydrophobicContact CE-CZ 4.49Å; M99-L467 HydrophobicContact CE-CB 4.4Å; M99-L467 HydrophobicContact CE-CD2 4.18Å; M99-L467 HydrophobicContact SD-CB 3.79Å; M99-L467 HydrophobicContact SD-CD1 3.97Å; M99-L467 HydrophobicContact SD-CD2 4.25Å; M99-L467 HydrophobicContact SD-CG 4.22Å; M99-W496 HydrophobicContact CG-CE3 4.46Å; M99-W496 HydrophobicContact CG-CZ3 3.82Å; M99-W496 HydrophobicContact SD-CZ3 3.96Å; M99-F499 HydrophobicContact CB-CE1 4.15Å; M99-F499 HydrophobicContact CB-CE2 4Å; M99-F499 HydrophobicContact CB-CZ 3.8Å; M99-F499 HydrophobicContact CG-CD1 4.3Å; M99-F499 HydrophobicContact CG-CE1 3.85Å; M99-F499 HydrophobicContact CG-CZ 4.01Å
100	P	98.8	Very high	97.8	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.006	9%	0.089	C	C	.	.			trans	-72.4	101	172.7	28.4	-30.9	0	0	0	109.2	G102 N234 W492 K495 W496 F499	P100-G102 PolarHBondContact O-N 3.11Å; P100-N234 WeakPolarHBondContact CA-ND2 3.37Å; P100-W492 PolarHBondContact O-NE1 3.13Å; P100-K495 HydrophobicContact CB-CB 3.79Å; P100-K495 HydrophobicContact CG-CB 4.04Å; P100-W496 HydrophobicContact CG-CB 4.22Å; P100-W496 HydrophobicContact CG-CE3 4.13Å; P100-F499 HydrophobicContact CG-CB 4.32Å
101	K	98.8	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.			trans	-77.7	-6	-172.6	-75.4	168	-72.4	-73.4	0	113.6	L96 Q97 M99 A103 D233 N234 L446 S447 F450 A471 S474	L96-K101 PolarHBondContact O-NZ 3.15Å; Q97-K101 PolarHBondContact O-NZ 3.46Å; M99-K101 HydrophobicContact CE-CD 4.48Å; M99-K101 HydrophobicContact CE-CG 3.51Å; M99-K101 PolarHBondContact O-N 3.42Å; M99-K101 PolarHBondContact O-NZ 2.99Å; M99-K101 VanDerWaalsContact O-NZ 3.12Å; K101-A103 PolarHBondContact O-N 3.28Å; K101-D233 WeakPolarHBondContact CE-O 3.12Å; K101-D233 PolarHBondContact NZ-O 3.09Å; K101-D233 IonicContact NZ-OD1 3.4Å; K101-N234 PolarHBondContact N-O 2.89Å; K101-L446 HydrophobicContact CB-CD2 3.87Å; K101-L446 HydrophobicContact CD-CB 4.15Å; K101-L446 HydrophobicContact CD-CD2 4.16Å; K101-L446 HydrophobicContact CD-CG 4.02Å; K101-S447 VanDerWaalsContact CE-OG 3.22Å; K101-S447 WeakPolarHBondContact CE-OG 3.31Å; K101-S447 PolarHBondContact NZ-OG 3.29Å; K101-F450 HydrophobicContact CB-CE2 4.03Å; K101-F450 HydrophobicContact CB-CZ 4.06Å; K101-F450 HydrophobicContact CD-CB 4.46Å; K101-F450 HydrophobicContact CD-CD2 3.78Å; K101-F450 HydrophobicContact CD-CE2 4.09Å; K101-F450 HydrophobicContact CD-CG 4.04Å; K101-F450 HydrophobicContact CG-CD1 4.33Å; K101-F450 HydrophobicContact CG-CD2 4.06Å; K101-F450 HydrophobicContact CG-CE1 4.24Å; K101-F450 HydrophobicContact CG-CE2 3.97Å; K101-F450 HydrophobicContact CG-CG 4.21Å; K101-F450 HydrophobicContact CG-CZ 4.04Å; K101-A471 WeakPolarHBondContact O-CA 3.28Å; K101-A471 WeakPolarHBondContact O-CB 3.32Å; K101-S474 PolarHBondContact O-OG 2.89Å
102	G	98.8	Very high	97.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	83.5	-109.5	-176.7	0	0	0	0	0	110.2	P100 M236	P100-G102 PolarHBondContact O-N 3.11Å; G102-M236 WeakPolarHBondContact O-CG 3.28Å; G102-M236 PolarHBondContact O-N 2.98Å
103	A	98.9	Very high	97.8	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	6%	0.06	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	151.3	-174.7	0	0	0	0	0	112.6	K101 L105 Y237 S474	K101-A103 PolarHBondContact O-N 3.28Å; A103-L105 HydrophobicContact CB-CD2 3.84Å; A103-L105 HydrophobicContact CB-CG 4.28Å; A103-Y237 CarbonylContact C-O 3.58Å; A103-Y237 WeakPolarHBondContact CA-O 3.19Å; A103-Y237 HydrophobicContact CB-CD1 3.66Å; A103-Y237 HydrophobicContact CB-CG 4.29Å; A103-Y237 WeakPolarHBondContact CB-O 3.47Å; A103-S474 WeakPolarHBondContact CB-O 3.27Å; A103-S474 PolarHBondContact N-OG 2.95Å; A103-S474 VanDerWaalsContact O-CB 3.26Å; A103-S474 WeakPolarHBondContact O-CB 3.32Å
104	V	98.8	Very high	97.6	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	116.8	162.6	62.6	0	0	0	0	107.6	V107 F230 V235 Y237 L238 E239 S434 L446	V104-V107 HydrophobicContact CG1-CG1 4.37Å; V104-V107 HydrophobicContact CG2-CB 4.12Å; V104-V107 HydrophobicContact CG2-CG1 4.34Å; V104-F230 HydrophobicContact CB-CD1 4.35Å; V104-F230 HydrophobicContact CB-CE1 4.03Å; V104-F230 HydrophobicContact CG1-CD1 3.83Å; V104-F230 HydrophobicContact CG1-CE1 3.72Å; V104-F230 HydrophobicContact CG1-CZ 4.41Å; V104-F230 HydrophobicContact CG2-CE1 3.92Å; V104-V235 HydrophobicContact CB-CG1 4.2Å; V104-V235 HydrophobicContact CG1-CG1 4.01Å; V104-Y237 PolarHBondContact N-O 3.27Å; V104-L238 HydrophobicContact CG1-CB 4.03Å; V104-L238 HydrophobicContact CG1-CD1 3.99Å; V104-L238 HydrophobicContact CG1-CG 3.47Å; V104-L238 VanDerWaalsContact CG1-CG 3.47Å; V104-L238 WeakPolarHBondContact O-CA 3.49Å; V104-E239 PolarHBondContact O-N 3.36Å; V104-S434 WeakPolarHBondContact CG2-OG 3.39Å; V104-L446 HydrophobicContact CB-CD2 4.24Å; V104-L446 HydrophobicContact CG2-CD1 4.38Å
105	L	98.9	Very high	97.5	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	2.8	-171.8	-67.6	-165.5	0	0	0	113.7	A103 Y237 E239 R241 R376 V432 S434 S474 F477	A103-L105 HydrophobicContact CB-CD2 3.84Å; A103-L105 HydrophobicContact CB-CG 4.28Å; L105-Y237 HydrophobicContact CD2-CD1 4.29Å; L105-Y237 HydrophobicContact CD2-CE1 4.16Å; L105-E239 HydrophobicContact CD2-CB 4.26Å; L105-E239 HydrophobicContact CD2-CG 3.82Å; L105-R241 PolarHBondContact O-NH1 3.41Å; L105-R376 PolarHBondContact O-NH2 3.48Å; L105-V432 HydrophobicContact CB-CG2 4.29Å; L105-V432 HydrophobicContact CD1-CG1 4.18Å; L105-V432 HydrophobicContact CD1-CG2 4.32Å; L105-S434 PolarHBondContact N-OG 2.97Å; L105-S474 VanDerWaalsContact CD1-O 3.27Å; L105-S474 WeakPolarHBondContact CD1-O 3.01Å; L105-F477 HydrophobicContact CD1-CB 4.32Å
106	H	98.9	Very high	97.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	97.7	178.8	-169.4	122	0	0	0	109.6	H108 H351 H379 E401 S434 D436	H106-H108 AromaticContact CD2-NE2 3.97Å; H106-H108 AromaticContact NE2-NE2 3.51Å; H106-H351 AromaticContact CE1-CD2 3.82Å; H106-H351 AromaticContact CE1-CE1 3.21Å; H106-H351 PolarHBondContact CE1-CE1 2.86Å; H106-H351 AromaticContact CE1-ND1 3.91Å; H106-H351 AromaticContact CE1-NE2 3.15Å; H106-H351 PolarHBondContact CE1-NE2 3.4Å; H106-H351 AromaticContact NE2-CE1 3.43Å; H106-H351 PolarHBondContact NE2-CE1 2.86Å; H106-H351 AromaticContact NE2-NE2 3.09Å; H106-H351 PolarHBondContact NE2-NE2 3.37Å; H106-H379 AromaticContact CE1-NE2 3.87Å; H106-H379 AromaticContact NE2-CE1 3.99Å; H106-H379 AromaticContact NE2-NE2 3.71Å; H106-E401 HydrophobicContact CB-CB 3.81Å; H106-E401 HydrophobicContact CB-CG 4.2Å; H106-E401 IonicContact CE1-OE2 3.38Å; H106-E401 IonicContact CG-OE2 3.01Å; H106-E401 IonicContact ND1-OE2 2.96Å; H106-E401 PolarHBondContact ND1-OE2 3.41Å; H106-S434 VanDerWaalsContact C-OG 3.24Å; H106-S434 WeakPolarHBondContact CA-OG 3.35Å; H106-S434 PolarHBondContact N-OG 3.44Å; H106-S434 WeakPolarHBondContact O-CB 3.28Å; H106-S434 PolarHBondContact O-OG 3.24Å; H106-D436 IonicContact CD2-OD1 3.94Å; H106-D436 PolarHBondContact CD2-OD1 2.96Å; H106-D436 IonicContact NE2-OD1 3.31Å; H106-D436 PolarHBondContact NE2-OD1 3.42Å; H106-D436 VanDerWaalsContact NE2-OD1 3.12Å; H106-D436 WeakPolarHBondContact O-CA 3.09Å; H106-D436 PolarHBondContact O-N 3.17Å
107	V	98.6	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	143.6	179.3	64.4	0	0	0	0	108.2	V104 M112 F230 L240 R241 D436	V104-V107 HydrophobicContact CG1-CG1 4.37Å; V104-V107 HydrophobicContact CG2-CB 4.12Å; V104-V107 HydrophobicContact CG2-CG1 4.34Å; V107-M112 HydrophobicContact CG1-SD 4.47Å; V107-M112 HydrophobicContact CG2-CG 3.56Å; V107-M112 HydrophobicContact CG2-SD 4.2Å; V107-F230 HydrophobicContact CG2-CE2 4.35Å; V107-F230 HydrophobicContact CG2-CZ 3.87Å; V107-L240 HydrophobicContact CG1-CB 4.42Å; V107-L240 HydrophobicContact CG1-CG 4.17Å; V107-L240 CarbonylContact O-C 3.58Å; V107-L240 WeakPolarHBondContact O-CA 3.5Å; V107-R241 PolarHBondContact O-N 3.46Å; V107-D436 VanDerWaalsContact CA-O 3.24Å; V107-D436 WeakPolarHBondContact CA-O 3.45Å; V107-D436 VanDerWaalsContact CG2-O 3.3Å; V107-D436 WeakPolarHBondContact CG2-O 3.47Å
108	H	98.6	Very high	97.3	Very high	20 Å²	20	13.8 Å²	13.8	9%	0.093	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	151	-179.6	-58.2	-96.9	0	0	0	112.8	H106 A111 M112 R241 H351 D436 D437	H106-H108 AromaticContact CD2-NE2 3.97Å; H106-H108 AromaticContact NE2-NE2 3.51Å; H108-A111 PolarHBondContact O-N 2.9Å; H108-M112 WeakPolarHBondContact O-CG 3.38Å; H108-R241 CarbonylContact C-O 3.56Å; H108-R241 WeakPolarHBondContact CA-O 3.48Å; H108-R241 WeakPolarHBondContact ND1-CB 3.24Å; H108-H351 AromaticContact CE1-CE1 3.36Å; H108-H351 PolarHBondContact CE1-CE1 3.33Å; H108-H351 AromaticContact CE1-NE2 3.32Å; H108-H351 PolarHBondContact CE1-NE2 3.47Å; H108-H351 VanDerWaalsContact CE1-NE2 3.32Å; H108-H351 AromaticContact NE2-CE1 3.76Å; H108-H351 AromaticContact NE2-NE2 3.4Å; H108-H351 PolarHBondContact NE2-NE2 2.97Å; H108-D436 IonicContact CD2-OD1 2.72Å; H108-D436 PolarHBondContact CD2-OD1 3.14Å; H108-D436 PolarHBondContact N-O 3.47Å; H108-D436 IonicContact NE2-OD1 3.16Å; H108-D436 PolarHBondContact NE2-OD1 3.03Å; H108-D437 WeakPolarHBondContact CB-OD1 3.47Å; H108-D437 IonicContact CD2-OD1 3.89Å; H108-D437 IonicContact CD2-OD2 3.42Å; H108-D437 IonicContact CG-OD1 3.69Å
109	D	93	Very high	97.3	Very high	5 Å²	5	10.2 Å²	10.2	3%	0.027	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	147.4	169.3	65.5	-13.2	0	0	0	110.7	A111 R241 A242 L243	D109-A111 PolarHBondContact O-N 3.16Å; D109-R241 PolarHBondContact N-O 3.33Å; D109-A242 HydrophobicContact CB-CB 4.13Å; D109-A242 VanDerWaalsContact CG-CA 3.45Å; D109-A242 VanDerWaalsContact OD2-CA 3.27Å; D109-A242 WeakPolarHBondContact OD2-CA 3.47Å; D109-A242 WeakPolarHBondContact OD2-CB 3.23Å; D109-L243 PolarHBondContact OD1-N 3.02Å; D109-L243 PolarHBondContact OD2-N 3.35Å
110	F	94.4	Very high	97.1	Very high	3 Å²	3	14.7 Å²	14.7	1%	0.013	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	3.1	-178.3	-46.2	-30.7	0	0	0	116.8	F206 L209 W210 V213 T214 F219 Y222 P245	F110-F206 HydrophobicContact CB-CD1 4.3Å; F110-F206 HydrophobicContact CB-CE1 4.41Å; F110-L209 WeakPolarHBondContact O-CD1 3.26Å; F110-W210 HydrophobicContact CD2-CE3 4.44Å; F110-W210 HydrophobicContact CE2-CE3 4.04Å; F110-W210 HydrophobicContact CE2-CZ3 4.25Å; F110-V213 HydrophobicContact CD1-CB 3.72Å; F110-V213 HydrophobicContact CD1-CG1 3.39Å; F110-V213 HydrophobicContact CD1-CG2 4.25Å; F110-V213 HydrophobicContact CE1-CB 3.82Å; F110-V213 HydrophobicContact CE1-CG1 3.36Å; F110-V213 HydrophobicContact CG-CB 4.4Å; F110-V213 HydrophobicContact CG-CG1 4.47Å; F110-V213 HydrophobicContact CZ-CG1 4.4Å; F110-T214 HydrophobicContact CE2-CG2 4.17Å; F110-T214 HydrophobicContact CZ-CG2 3.88Å; F110-F219 HydrophobicContact CE1-CD2 4.32Å; F110-F219 HydrophobicContact CE1-CE2 4.26Å; F110-Y222 VanDerWaalsContact CA-OH 3.25Å; F110-Y222 WeakPolarHBondContact CA-OH 3.28Å; F110-Y222 HydrophobicContact CD1-CE1 4.41Å; F110-Y222 PolarHBondContact O-OH 3.33Å; F110-Y222 VanDerWaalsContact O-OH 3.12Å; F110-P245 HydrophobicContact CE2-CG 3.91Å; F110-P245 HydrophobicContact CZ-CG 3.56Å
111	A	95.3	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.085	C	C	.	.	S	Bend	trans	-123.1	18.7	172.3	0	0	0	0	0	115	H108 D109 F206 Y222 D437 P438 A439 M440	H108-A111 PolarHBondContact O-N 2.9Å; D109-A111 PolarHBondContact O-N 3.16Å; A111-F206 HydrophobicContact CB-CE1 3.95Å; A111-F206 HydrophobicContact CB-CZ 3.91Å; A111-Y222 PolarHBondContact N-OH 3.43Å; A111-D437 HydrophobicContact CB-CB 3.55Å; A111-D437 WeakPolarHBondContact CB-OD1 3.46Å; A111-D437 CarbonylContact O-C 3.4Å; A111-P438 WeakPolarHBondContact O-CD 3.4Å; A111-A439 WeakPolarHBondContact O-CB 3.5Å; A111-A439 PolarHBondContact O-N 3.01Å; A111-M440 HydrophobicContact CB-CG 3.9Å
112	M	96.9	Very high	97	Very high	3 Å²	3	17.8 Å²	17.8	2%	0.015	9%	0.085	C	C	.	.	S	Bend	trans	-91	-43	-176.7	-68.8	-171.9	-69.4	0	0	114.2	V107 H108 Y222 Y223 A226 F230 L240	V107-M112 HydrophobicContact CG1-SD 4.47Å; V107-M112 HydrophobicContact CG2-CG 3.56Å; V107-M112 HydrophobicContact CG2-SD 4.2Å; H108-M112 WeakPolarHBondContact O-CG 3.38Å; M112-Y222 HydrophobicContact CE-CE1 4.17Å; M112-Y222 PolarHBondContact N-OH 3.43Å; M112-Y223 HydrophobicContact CE-CD2 4.17Å; M112-A226 HydrophobicContact CB-CB 3.7Å; M112-A226 HydrophobicContact CE-CB 3.74Å; M112-A226 HydrophobicContact CG-CB 4.46Å; M112-A226 HydrophobicContact SD-CB 3.94Å; M112-F230 HydrophobicContact CB-CE2 3.97Å; M112-F230 HydrophobicContact CG-CE2 3.94Å; M112-F230 HydrophobicContact SD-CE2 4.13Å; M112-L240 HydrophobicContact CE-CD2 3.54Å; M112-L240 HydrophobicContact SD-CD2 3.39Å; M112-L240 WeakPolarHBondContact SD-CD2 3.48Å; M112-L240 HydrophobicContact SD-CG 4.38Å
113	V	97.5	Very high	97	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-87.6	133.5	-172.9	179.2	0	0	0	0	110.1	W117 Y222 E225 A226 A439	V113-W117 HydrophobicContact CG1-CB 3.82Å; V113-W117 HydrophobicContact CG1-CD2 3.95Å; V113-W117 HydrophobicContact CG1-CE3 3.76Å; V113-W117 HydrophobicContact CG1-CG 3.99Å; V113-Y222 HydrophobicContact CB-CD2 3.9Å; V113-Y222 HydrophobicContact CB-CE1 4.49Å; V113-Y222 HydrophobicContact CB-CE2 3.45Å; V113-Y222 VanDerWaalsContact CB-CE2 3.45Å; V113-Y222 HydrophobicContact CG1-CE2 4.38Å; V113-Y222 HydrophobicContact CG2-CD1 3.99Å; V113-Y222 HydrophobicContact CG2-CD2 3.68Å; V113-Y222 HydrophobicContact CG2-CE1 3.82Å; V113-Y222 HydrophobicContact CG2-CE2 3.55Å; V113-Y222 HydrophobicContact CG2-CG 3.9Å; V113-Y222 WeakPolarHBondContact CG2-O 3.27Å; V113-Y222 PolarHBondContact N-OH 3.09Å; V113-E225 HydrophobicContact CG1-CB 4.28Å; V113-E225 HydrophobicContact CG1-CG 3.59Å; V113-E225 HydrophobicContact CG2-CB 4.15Å; V113-E225 HydrophobicContact CG2-CG 4.21Å; V113-A226 HydrophobicContact CG2-CB 3.77Å; V113-A439 WeakPolarHBondContact O-CB 3.25Å
114	D	94.1	Very high	96.9	Very high	58 Å²	58	22.8 Å²	22.8	31%	0.31	11%	0.105	S	C	.	.			trans	-51.2	144.2	176.3	100.3	92.5	0	0	0	113.2	E116 W117 Q229	D114-E116 VanDerWaalsContact C-N 3.28Å; D114-E116 PolarHBondContact O-N 3.14Å; D114-E116 WeakPolarHBondContact OD1-CA 3.44Å; D114-E116 WeakPolarHBondContact OD1-CB 3.38Å; D114-E116 PolarHBondContact OD1-N 3.44Å; D114-W117 PolarHBondContact O-N 3.32Å; D114-W117 PolarHBondContact OD1-N 3.47Å; D114-W117 WeakPolarHBondContact OD2-CB 3.14Å; D114-W117 PolarHBondContact OD2-N 3.37Å; D114-Q229 VanDerWaalsContact N-OE1 3.14Å; D114-Q229 PolarHBondContact OD2-NE2 3.04Å; D114-Q229 VanDerWaalsContact OD2-NE2 3.09Å
115	V	95.8	Very high	96.8	Very high	15 Å²	15	25 Å²	25	9%	0.091	11%	0.113	C	C	.	.	H	α-helix	trans	-70.3	-23.5	-173.6	179.7	0	0	0	0	112.6	L118 V119 R177 L180 A439	V115-L118 PolarHBondContact O-N 2.9Å; V115-V119 HydrophobicContact CG1-CG2 4.05Å; V115-V119 VanDerWaalsContact O-CG2 3.26Å; V115-V119 WeakPolarHBondContact O-CG2 3.4Å; V115-V119 PolarHBondContact O-N 3.42Å; V115-R177 HydrophobicContact CG1-CB 4.39Å; V115-R177 HydrophobicContact CG1-CG 3.79Å; V115-L180 HydrophobicContact CG1-CB 3.67Å; V115-L180 HydrophobicContact CG1-CD1 4.24Å; V115-L180 HydrophobicContact CG2-CB 4.43Å; V115-A439 HydrophobicContact CG2-CB 4.43Å
116	E	95.7	Very high	96.8	Very high	75 Å²	75	29.2 Å²	29.2	35%	0.35	14%	0.141	S	C	.	.	H	α-helix	trans	-64.8	-40.8	174.3	-61.4	-62.5	146.8	0	0	111.3	D114 L118 V119 K120 R177	D114-E116 VanDerWaalsContact C-N 3.28Å; D114-E116 PolarHBondContact O-N 3.14Å; D114-E116 WeakPolarHBondContact OD1-CA 3.44Å; D114-E116 WeakPolarHBondContact OD1-CB 3.38Å; D114-E116 PolarHBondContact OD1-N 3.44Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.4Å; E116-V119 PolarHBondContact O-N 3.08Å; E116-K120 VanDerWaalsContact O-CB 3.23Å; E116-K120 WeakPolarHBondContact O-CB 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.36Å; E116-K120 PolarHBondContact O-N 2.74Å; E116-R177 VanDerWaalsContact CD-NH2 3.34Å; E116-R177 WeakPolarHBondContact OE1-CD 3.3Å; E116-R177 IonicContact OE1-CZ 3.21Å; E116-R177 IonicContact OE1-NE 3.63Å; E116-R177 PolarHBondContact OE1-NE 2.88Å; E116-R177 IonicContact OE1-NH2 2.65Å; E116-R177 PolarHBondContact OE1-NH2 3Å; E116-R177 IonicContact OE2-CZ 2.68Å; E116-R177 IonicContact OE2-NE 3.18Å; E116-R177 IonicContact OE2-NH2 2.9Å; E116-R177 PolarHBondContact OE2-NH2 3.43Å
117	W	97.6	Very high	96.7	Very high	33 Å²	33	31.7 Å²	31.7	13%	0.125	15%	0.154	C	C	.	.	H	α-helix	trans	-59.7	-45.4	175.7	-178.2	99.2	0	0	0	111.2	V113 D114 V119 K120 N121 A122 V218 D221 Y222 E225	V113-W117 HydrophobicContact CG1-CB 3.82Å; V113-W117 HydrophobicContact CG1-CD2 3.95Å; V113-W117 HydrophobicContact CG1-CE3 3.76Å; V113-W117 HydrophobicContact CG1-CG 3.99Å; D114-W117 PolarHBondContact O-N 3.32Å; D114-W117 PolarHBondContact OD1-N 3.47Å; D114-W117 WeakPolarHBondContact OD2-CB 3.14Å; D114-W117 PolarHBondContact OD2-N 3.37Å; W117-V119 PolarHBondContact O-N 2.97Å; W117-K120 PolarHBondContact O-N 2.8Å; W117-N121 HydrophobicContact CD2-CB 4.19Å; W117-N121 HydrophobicContact CG-CB 4.32Å; W117-N121 WeakPolarHBondContact O-CA 3.36Å; W117-N121 WeakPolarHBondContact O-CB 3.39Å; W117-N121 PolarHBondContact O-N 2.81Å; W117-A122 HydrophobicContact CZ3-CB 4.09Å; W117-A122 PolarHBondContact O-N 3.05Å; W117-V218 HydrophobicContact CH2-CG1 4.48Å; W117-D221 HydrophobicContact CH2-CB 4.03Å; W117-D221 HydrophobicContact CZ2-CB 3.88Å; W117-Y222 AromaticContact CZ3-CD2 4Å; W117-Y222 HydrophobicContact CZ3-CD2 4Å; W117-E225 HydrophobicContact CD2-CG 4.18Å; W117-E225 HydrophobicContact CG-CG 4.01Å; W117-E225 HydrophobicContact CZ2-CB 4.45Å
118	L	97.1	Very high	96.7	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-48.2	176.7	-74.9	161	0	0	0	111.5	V115 E116 A122 T123 L180 L209 V213 Y222	V115-L118 PolarHBondContact O-N 2.9Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-L118 PolarHBondContact O-N 3.4Å; L118-A122 HydrophobicContact CD2-CB 4.34Å; L118-A122 WeakPolarHBondContact O-CB 3.31Å; L118-A122 PolarHBondContact O-N 3.19Å; L118-T123 WeakPolarHBondContact O-CG2 3.35Å; L118-T123 PolarHBondContact O-N 2.81Å; L118-L180 HydrophobicContact CB-CD1 4.19Å; L118-L209 HydrophobicContact CD1-CD2 3.47Å; L118-L209 VanDerWaalsContact CD1-CD2 3.47Å; L118-L209 HydrophobicContact CD2-CD2 4.34Å; L118-L209 HydrophobicContact CG-CD2 4.46Å; L118-V213 HydrophobicContact CD2-CG2 4.01Å; L118-Y222 HydrophobicContact CD1-CE2 4.23Å; L118-Y222 HydrophobicContact CD2-CD2 3.92Å; L118-Y222 HydrophobicContact CD2-CE2 3.99Å; L118-Y222 HydrophobicContact CG-CE2 4.33Å
119	V	97.3	Very high	96.6	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.5	-43.7	-178.2	174.4	0	0	0	0	111.7	V115 E116 W117 T123 Y124 D173 I176 R177 L180	V115-V119 HydrophobicContact CG1-CG2 4.05Å; V115-V119 VanDerWaalsContact O-CG2 3.26Å; V115-V119 WeakPolarHBondContact O-CG2 3.4Å; V115-V119 PolarHBondContact O-N 3.42Å; E116-V119 PolarHBondContact O-N 3.08Å; W117-V119 PolarHBondContact O-N 2.97Å; V119-T123 PolarHBondContact O-OG1 3.5Å; V119-Y124 WeakPolarHBondContact O-CD2 3.27Å; V119-Y124 VanDerWaalsContact O-CE2 3.31Å; V119-Y124 WeakPolarHBondContact O-CE2 3.44Å; V119-D173 HydrophobicContact CG1-CB 3.7Å; V119-I176 HydrophobicContact CG2-CG2 4.04Å; V119-R177 HydrophobicContact CG2-CB 4Å; V119-L180 HydrophobicContact CG2-CD1 4.27Å
120	K	96.4	Very high	96.8	Very high	94 Å²	94	32.1 Å²	32.1	41%	0.409	16%	0.155	S	C	.	.	H	α-helix	trans	-92.6	-20.8	-170.9	-61.4	-61.6	-176.5	178.5	0	114.1	E116 W117 Y124 D173	E116-K120 VanDerWaalsContact O-CB 3.23Å; E116-K120 WeakPolarHBondContact O-CB 3.49Å; E116-K120 WeakPolarHBondContact O-CG 3.36Å; E116-K120 PolarHBondContact O-N 2.74Å; W117-K120 PolarHBondContact O-N 2.8Å; K120-Y124 HydrophobicContact CD-CE2 4.28Å; K120-Y124 WeakPolarHBondContact O-CD2 3.42Å; K120-D173 IonicContact NZ-OD2 3.23Å; K120-D173 PolarHBondContact NZ-OD2 2.88Å
121	N	97.3	Very high	96.8	Very high	65 Å²	65	32 Å²	32	35%	0.348	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-69.9	176.3	-171.4	-44.6	0	0	0	110.5	W117 T123 Y124 R125	W117-N121 HydrophobicContact CD2-CB 4.19Å; W117-N121 HydrophobicContact CG-CB 4.32Å; W117-N121 WeakPolarHBondContact O-CA 3.36Å; W117-N121 WeakPolarHBondContact O-CB 3.39Å; W117-N121 PolarHBondContact O-N 2.81Å; N121-T123 PolarHBondContact O-N 3.28Å; N121-Y124 PolarHBondContact O-N 2.72Å; N121-R125 PolarHBondContact O-N 3.21Å; N121-R125 PolarHBondContact OD1-NE 3.28Å; N121-R125 VanDerWaalsContact OD1-NE 3.15Å; N121-R125 PolarHBondContact OD1-NH2 3.34Å
122	A	97.3	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-59.1	-47.6	-168.9	0	0	0	0	0	112.5	W117 L118 Y124 R125 F142 V218	W117-A122 HydrophobicContact CZ3-CB 4.09Å; W117-A122 PolarHBondContact O-N 3.05Å; L118-A122 HydrophobicContact CD2-CB 4.34Å; L118-A122 WeakPolarHBondContact O-CB 3.31Å; L118-A122 PolarHBondContact O-N 3.19Å; A122-Y124 PolarHBondContact O-N 3.18Å; A122-R125 WeakPolarHBondContact O-CB 3.44Å; A122-R125 WeakPolarHBondContact O-CG 3.48Å; A122-R125 PolarHBondContact O-N 3.36Å; A122-F142 WeakPolarHBondContact O-CZ 3.45Å; A122-V218 HydrophobicContact CB-CG1 4Å; A122-V218 HydrophobicContact CB-CG2 4.44Å
123	T	97.6	Very high	96.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-74.5	-9.4	-178.2	77.4	0	0	0	0	114.4	L118 V119 N121 F140 L159 R163 I176 L212	L118-T123 WeakPolarHBondContact O-CG2 3.35Å; L118-T123 PolarHBondContact O-N 2.81Å; V119-T123 PolarHBondContact O-OG1 3.5Å; N121-T123 PolarHBondContact O-N 3.28Å; T123-F140 HydrophobicContact CG2-CE1 4.33Å; T123-L159 HydrophobicContact CG2-CD1 4.48Å; T123-R163 PolarHBondContact O-NH1 2.9Å; T123-R163 PolarHBondContact OG1-NH2 3.14Å; T123-I176 HydrophobicContact CG2-CG2 4.32Å; T123-L212 HydrophobicContact CG2-CD1 3.85Å; T123-L212 HydrophobicContact CG2-CD2 3.97Å
124	Y	97.4	Very high	96	Very high	105 Å²	105	43 Å²	43	41%	0.412	21%	0.21	S	C	.	.	G	3₁₀ helix	trans	-92	-5.3	174.4	-83	-95.5	0	0	0	112.8	V119 K120 N121 A122 R163 D173	V119-Y124 WeakPolarHBondContact O-CD2 3.27Å; V119-Y124 VanDerWaalsContact O-CE2 3.31Å; V119-Y124 WeakPolarHBondContact O-CE2 3.44Å; K120-Y124 HydrophobicContact CD-CE2 4.28Å; K120-Y124 WeakPolarHBondContact O-CD2 3.42Å; N121-Y124 PolarHBondContact O-N 2.72Å; A122-Y124 PolarHBondContact O-N 3.18Å; Y124-R163 VanDerWaalsContact CE2-CZ 3.45Å; Y124-R163 VanDerWaalsContact CZ-NE 3.28Å; Y124-R163 PolarHBondContact OH-NE 3.03Å; Y124-D173 VanDerWaalsContact OH-CG 3.32Å; Y124-D173 PolarHBondContact OH-OD1 3.16Å; Y124-D173 PolarHBondContact OH-OD2 2.91Å
125	R	97.9	Very high	95.4	Very high	46 Å²	46	44.7 Å²	44.7	17%	0.174	23%	0.226	C	C	.	.	S	Bend	trans	-66.9	148.3	175	-66.6	177.8	-170.1	-147.4	-1.6	110.8	N121 A122 C128 F142 P217 D221	N121-R125 PolarHBondContact O-N 3.21Å; N121-R125 PolarHBondContact OD1-NE 3.28Å; N121-R125 VanDerWaalsContact OD1-NE 3.15Å; N121-R125 PolarHBondContact OD1-NH2 3.34Å; A122-R125 WeakPolarHBondContact O-CB 3.44Å; A122-R125 WeakPolarHBondContact O-CG 3.48Å; A122-R125 PolarHBondContact O-N 3.36Å; R125-C128 WeakPolarHBondContact O-CB 3.44Å; R125-F142 HydrophobicContact CB-CE1 3.8Å; R125-F142 HydrophobicContact CB-CZ 4.33Å; R125-P217 PolarHBondContact NH1-O 2.63Å; R125-D221 IonicContact CZ-OD2 3.56Å; R125-D221 IonicContact NH1-OD2 3.23Å; R125-D221 PolarHBondContact NH1-OD2 2.96Å; R125-D221 IonicContact NH2-OD2 2.94Å; R125-D221 PolarHBondContact NH2-OD2 2.83Å
126	P	97.4	Very high	94.9	Very high	89 Å²	89	47.9 Å²	47.9	58%	0.578	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	156.9	179.5	26.8	-35.7	0	0	0	111	C128	P126-C128 PolarHBondContact O-N 3.15Å
127	N	97.4	Very high	94.7	Very high	52 Å²	52	44.6 Å²	44.6	28%	0.278	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	14.6	176.5	-53.7	-52.6	0	0	0	115.4	Y129 F142 A143 L250	N127-Y129 VanDerWaalsContact O-CD2 3.24Å; N127-Y129 WeakPolarHBondContact O-CD2 3.46Å; N127-Y129 PolarHBondContact O-N 3.05Å; N127-F142 VanDerWaalsContact O-CA 3.32Å; N127-F142 WeakPolarHBondContact O-CA 3.39Å; N127-A143 WeakPolarHBondContact CB-O 3.39Å; N127-A143 PolarHBondContact O-N 3.24Å; N127-A143 VanDerWaalsContact O-N 3.1Å; N127-L250 HydrophobicContact CB-CD1 3.81Å
128	C	98.1	Very high	94.6	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	114.3	175.6	-162.9	0	0	0	0	110.9	R125 P126 F142 L159	R125-C128 WeakPolarHBondContact O-CB 3.44Å; P126-C128 PolarHBondContact O-N 3.15Å; C128-F142 HydrophobicContact CB-CD1 3.99Å; C128-F142 HydrophobicContact CB-CE1 3.46Å; C128-F142 VanDerWaalsContact CB-CE1 3.46Å; C128-F142 HydrophobicContact CB-CZ 3.84Å; C128-F142 VanDerWaalsContact SG-CZ 3.52Å; C128-L159 HydrophobicContact CB-CD1 4.15Å; C128-L159 WeakPolarHBondContact O-CB 3.47Å; C128-L159 PolarHBondContact O-N 3.01Å
129	Y	97.6	Very high	94.5	Very high	29 Å²	29	47.6 Å²	47.6	11%	0.114	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	150.1	174	-67.1	-101.9	0	0	0	110.5	N127 F140 V141 A143 P147 W156 V157 L158	N127-Y129 VanDerWaalsContact O-CD2 3.24Å; N127-Y129 WeakPolarHBondContact O-CD2 3.46Å; N127-Y129 PolarHBondContact O-N 3.05Å; Y129-F140 VanDerWaalsContact O-CA 3.23Å; Y129-F140 WeakPolarHBondContact O-CA 3.02Å; Y129-V141 PolarHBondContact N-O 2.91Å; Y129-V141 PolarHBondContact O-N 3.04Å; Y129-V141 VanDerWaalsContact O-N 3.07Å; Y129-A143 HydrophobicContact CD2-CB 4.46Å; Y129-A143 HydrophobicContact CE2-CB 4.38Å; Y129-A143 VanDerWaalsContact CE2-O 3.3Å; Y129-A143 WeakPolarHBondContact CE2-O 3.42Å; Y129-P147 HydrophobicContact CD1-CG 4.12Å; Y129-P147 HydrophobicContact CD2-CG 3.89Å; Y129-P147 HydrophobicContact CE2-CG 4.41Å; Y129-P147 HydrophobicContact CG-CG 3.74Å; Y129-W156 HydrophobicContact CD1-CB 4.08Å; Y129-V157 WeakPolarHBondContact CA-O 3.32Å; Y129-L158 HydrophobicContact CD1-CB 4.17Å; Y129-L158 HydrophobicContact CD2-CD1 4.21Å; Y129-L158 HydrophobicContact CE1-CB 3.89Å; Y129-L158 HydrophobicContact CE1-CD1 4.27Å; Y129-L158 HydrophobicContact CE2-CD1 3.84Å
130	M	96.5	Very high	94.5	Very high	2 Å²	2	48 Å²	48	1%	0.01	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	146.4	173.3	-174	-177	67.9	0	0	110.2	F132 V138 R139 F140 V157 L159 L162 L172 I176	M130-F132 HydrophobicContact CE-CE1 4.16Å; M130-F132 HydrophobicContact CE-CE2 3.86Å; M130-F132 HydrophobicContact CE-CZ 3.49Å; M130-F132 VanDerWaalsContact CE-CZ 3.49Å; M130-V138 HydrophobicContact CG-CB 4.21Å; M130-V138 HydrophobicContact CG-CG1 4.44Å; M130-V138 HydrophobicContact SD-CB 4.25Å; M130-V138 HydrophobicContact SD-CG1 4.01Å; M130-R139 VanDerWaalsContact CA-O 3.27Å; M130-R139 WeakPolarHBondContact CA-O 3.35Å; M130-F140 HydrophobicContact CB-CD1 3.9Å; M130-F140 HydrophobicContact CB-CE1 3.87Å; M130-F140 HydrophobicContact CG-CD1 3.95Å; M130-F140 HydrophobicContact CG-CE1 3.57Å; M130-F140 HydrophobicContact CG-CZ 4.11Å; M130-F140 HydrophobicContact SD-CE1 3.64Å; M130-F140 HydrophobicContact SD-CZ 3.93Å; M130-V157 PolarHBondContact N-O 3.35Å; M130-V157 PolarHBondContact O-N 3.45Å; M130-L159 HydrophobicContact CB-CD1 4.45Å; M130-L159 HydrophobicContact CB-CD2 3.58Å; M130-L159 HydrophobicContact CB-CG 3.92Å; M130-L159 HydrophobicContact CE-CD2 3.84Å; M130-L159 HydrophobicContact CG-CD2 4.34Å; M130-L159 HydrophobicContact SD-CD2 3.89Å; M130-L162 HydrophobicContact CE-CD2 3.58Å; M130-L172 HydrophobicContact CE-CD1 4.05Å; M130-I176 HydrophobicContact SD-CD1 4.16Å; M130-I176 HydrophobicContact SD-CG1 3.98Å
131	C	95.4	Very high	94.5	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	155.5	165.8	63.9	0	0	0	0	110.7	V138 R139 C153 S154 W156	C131-V138 CarbonylContact O-C 3.24Å; C131-V138 WeakPolarHBondContact O-CA 3.14Å; C131-R139 PolarHBondContact N-O 3.04Å; C131-R139 PolarHBondContact O-N 3.25Å; C131-C153 HydrophobicContact CB-CB 3.84Å; C131-C153 WeakPolarHBondContact CB-SG 3.44Å; C131-C153 WeakPolarHBondContact SG-CB 3.13Å; C131-C153 CovalentContact SG-SG 2.01Å; C131-C153 PolarHBondContact SG-SG 3.35Å; C131-S154 VanDerWaalsContact CB-O 3.24Å; C131-S154 WeakPolarHBondContact CB-O 3.08Å; C131-W156 HydrophobicContact CB-CD2 4.02Å; C131-W156 HydrophobicContact CB-CE3 3.74Å; C131-W156 HydrophobicContact CB-CZ3 4.04Å; C131-W156 WeakPolarHBondContact SG-CH2 3.03Å; C131-W156 WeakPolarHBondContact SG-CZ3 3.44Å
132	F	93.6	Very high	94.5	Very high	94 Å²	94	42 Å²	42	41%	0.412	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	134	177.2	-63.6	-83.4	0	0	0	109.5	M130 S137 V138 C153 S154	M130-F132 HydrophobicContact CE-CE1 4.16Å; M130-F132 HydrophobicContact CE-CE2 3.86Å; M130-F132 HydrophobicContact CE-CZ 3.49Å; M130-F132 VanDerWaalsContact CE-CZ 3.49Å; F132-S137 WeakPolarHBondContact CA-O 3.27Å; F132-V138 HydrophobicContact CD1-CG1 3.79Å; F132-V138 HydrophobicContact CE1-CG1 3.88Å; F132-C153 CarbonylContact O-C 3.58Å; F132-C153 WeakPolarHBondContact O-CA 3.49Å; F132-S154 PolarHBondContact N-OG 2.88Å; F132-S154 PolarHBondContact O-N 3.47Å
133	T	91.3	Very high	94.5	Very high	16 Å²	16	42.9 Å²	42.9	10%	0.098	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-88.7	158.8	178.1	67.7	0	0	0	0	111.4	S135 A136 S137 R139 R152	T133-S135 PolarHBondContact O-N 2.87Å; T133-S135 VanDerWaalsContact O-N 3.09Å; T133-S135 PolarHBondContact OG1-OG 3.25Å; T133-A136 PolarHBondContact O-N 3.1Å; T133-S137 PolarHBondContact N-O 3.13Å; T133-S137 WeakPolarHBondContact OG1-CA 3.5Å; T133-S137 WeakPolarHBondContact OG1-CB 3.43Å; T133-S137 PolarHBondContact OG1-N 3.37Å; T133-S137 PolarHBondContact OG1-O 3.33Å; T133-R139 HydrophobicContact CG2-CG 3.81Å; T133-R152 WeakPolarHBondContact CA-O 3.47Å
134	D	87.1	Confident	94.2	Very high	126 Å²	126	46.1 Å²	46.1	67%	0.674	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.2	176	-53.8	-14	0	0	0	112.7	A136 R152	D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.1Å; D134-R152 PolarHBondContact N-O 3.19Å; D134-R152 WeakPolarHBondContact OD2-CA 3.22Å; D134-R152 VanDerWaalsContact OD2-CB 3.28Å; D134-R152 WeakPolarHBondContact OD2-CB 3.12Å; D134-R152 WeakPolarHBondContact OD2-CG 3.39Å
135	S	82.1	Confident	93.9	Very high	92 Å²	92	48.5 Å²	48.5	64%	0.643	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	16.4	175.5	59.4	0	0	0	0	114.1	T133 S137	T133-S135 PolarHBondContact O-N 2.87Å; T133-S135 VanDerWaalsContact O-N 3.09Å; T133-S135 PolarHBondContact OG1-OG 3.25Å; S135-S137 PolarHBondContact O-N 3.13Å
136	A	84.9	Confident	93.4	Very high	83 Å²	83	49.1 Å²	49.1	69%	0.686	29%	0.292	S	S	*	.	S	Bend	trans	56.2	30.1	-176.3	0	0	0	0	0	114	T133 D134	T133-A136 PolarHBondContact O-N 3.1Å; D134-A136 VanDerWaalsContact C-N 3.26Å; D134-A136 PolarHBondContact O-N 3.1Å
137	S	91.1	Very high	93.1	Very high	6 Å²	6	46.2 Å²	46.2	4%	0.042	27%	0.273	C	S	.	.			trans	-105.4	-175.1	169	-163.8	0	0	0	0	110.2	F132 T133 S135	F132-S137 WeakPolarHBondContact CA-O 3.27Å; T133-S137 PolarHBondContact N-O 3.13Å; T133-S137 WeakPolarHBondContact OG1-CA 3.5Å; T133-S137 WeakPolarHBondContact OG1-CB 3.43Å; T133-S137 PolarHBondContact OG1-N 3.37Å; T133-S137 PolarHBondContact OG1-O 3.33Å; S135-S137 PolarHBondContact O-N 3.13Å
138	V	94.8	Very high	92.8	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	155.4	176.7	-61.9	0	0	0	0	110.8	M130 C131 F132 F140 N179 A208	M130-V138 HydrophobicContact CG-CB 4.21Å; M130-V138 HydrophobicContact CG-CG1 4.44Å; M130-V138 HydrophobicContact SD-CB 4.25Å; M130-V138 HydrophobicContact SD-CG1 4.01Å; C131-V138 CarbonylContact O-C 3.24Å; C131-V138 WeakPolarHBondContact O-CA 3.14Å; F132-V138 HydrophobicContact CD1-CG1 3.79Å; F132-V138 HydrophobicContact CE1-CG1 3.88Å; V138-F140 HydrophobicContact CB-CE2 4.26Å; V138-F140 HydrophobicContact CB-CZ 4.3Å; V138-F140 HydrophobicContact CG2-CD2 4.44Å; V138-F140 HydrophobicContact CG2-CE2 3.46Å; V138-F140 VanDerWaalsContact CG2-CE2 3.46Å; V138-F140 HydrophobicContact CG2-CZ 3.69Å; V138-N179 HydrophobicContact CG2-CB 3.72Å; V138-A208 HydrophobicContact CG2-CB 4.02Å; V138-A208 WeakPolarHBondContact O-CA 3.18Å; V138-A208 VanDerWaalsContact O-CB 3.31Å; V138-A208 WeakPolarHBondContact O-CB 3.25Å
139	R	95.8	Very high	92.6	Very high	96 Å²	96	58.4 Å²	58.4	36%	0.362	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	154.1	166.5	-70.2	178	176.1	162.7	-0.8	109.3	M130 C131 T133 E151 W156	M130-R139 VanDerWaalsContact CA-O 3.27Å; M130-R139 WeakPolarHBondContact CA-O 3.35Å; C131-R139 PolarHBondContact N-O 3.04Å; C131-R139 PolarHBondContact O-N 3.25Å; T133-R139 HydrophobicContact CG2-CG 3.81Å; R139-E151 PolarHBondContact NH1-O 3.09Å; R139-W156 HydrophobicContact CB-CH2 4.03Å; R139-W156 HydrophobicContact CB-CZ3 4.43Å
140	F	97	Very high	92.2	Very high	7 Å²	7	60.2 Å²	60.2	3%	0.031	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.8	177.5	-58	-88	0	0	0	111.3	T123 Y129 M130 V138 L159 I176 L180 A208 G211 L212	T123-F140 HydrophobicContact CG2-CE1 4.33Å; Y129-F140 VanDerWaalsContact O-CA 3.23Å; Y129-F140 WeakPolarHBondContact O-CA 3.02Å; M130-F140 HydrophobicContact CB-CD1 3.9Å; M130-F140 HydrophobicContact CB-CE1 3.87Å; M130-F140 HydrophobicContact CG-CD1 3.95Å; M130-F140 HydrophobicContact CG-CE1 3.57Å; M130-F140 HydrophobicContact CG-CZ 4.11Å; M130-F140 HydrophobicContact SD-CE1 3.64Å; M130-F140 HydrophobicContact SD-CZ 3.93Å; V138-F140 HydrophobicContact CB-CE2 4.26Å; V138-F140 HydrophobicContact CB-CZ 4.3Å; V138-F140 HydrophobicContact CG2-CD2 4.44Å; V138-F140 HydrophobicContact CG2-CE2 3.46Å; V138-F140 VanDerWaalsContact CG2-CE2 3.46Å; V138-F140 HydrophobicContact CG2-CZ 3.69Å; F140-L159 HydrophobicContact CD1-CD1 4.11Å; F140-L159 HydrophobicContact CE1-CD1 3.97Å; F140-I176 HydrophobicContact CZ-CG1 4.41Å; F140-I176 HydrophobicContact CZ-CG2 3.81Å; F140-L180 HydrophobicContact CE2-CD2 4.16Å; F140-A208 WeakPolarHBondContact CD2-O 3.47Å; F140-G211 VanDerWaalsContact O-CA 3.27Å; F140-G211 WeakPolarHBondContact O-CA 3.09Å; F140-L212 HydrophobicContact CB-CD2 3.49Å; F140-L212 VanDerWaalsContact CB-CD2 3.49Å; F140-L212 HydrophobicContact CB-CG 3.56Å; F140-L212 HydrophobicContact CD1-CD1 4.38Å; F140-L212 HydrophobicContact CD1-CD2 3.71Å; F140-L212 HydrophobicContact CD1-CG 4.11Å; F140-L212 HydrophobicContact CD2-CD1 3.56Å; F140-L212 HydrophobicContact CD2-CD2 4Å; F140-L212 HydrophobicContact CD2-CG 3.44Å; F140-L212 VanDerWaalsContact CD2-CG 3.44Å; F140-L212 HydrophobicContact CE1-CD2 4.45Å; F140-L212 HydrophobicContact CE2-CD1 3.71Å; F140-L212 HydrophobicContact CE2-CG 4.12Å; F140-L212 HydrophobicContact CG-CD1 3.92Å; F140-L212 HydrophobicContact CG-CD2 3.45Å; F140-L212 VanDerWaalsContact CG-CD2 3.45Å; F140-L212 HydrophobicContact CG-CG 3.42Å; F140-L212 VanDerWaalsContact CG-CG 3.42Å; F140-L212 HydrophobicContact CZ-CD1 4.2Å
141	V	96.8	Very high	91.9	Very high	32 Å²	32	67 Å²	67	19%	0.194	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	142.6	168.8	65.1	0	0	0	0	109.5	Y129 P147 W156 Y248	Y129-V141 PolarHBondContact N-O 2.91Å; Y129-V141 PolarHBondContact O-N 3.04Å; Y129-V141 VanDerWaalsContact O-N 3.07Å; V141-P147 HydrophobicContact CG1-CB 3.83Å; V141-P147 HydrophobicContact CG1-CG 3.38Å; V141-W156 HydrophobicContact CB-CH2 4Å; V141-W156 HydrophobicContact CB-CZ2 4.49Å; V141-W156 HydrophobicContact CB-CZ3 4.2Å; V141-W156 HydrophobicContact CG1-CD2 4.03Å; V141-W156 HydrophobicContact CG1-CE3 3.76Å; V141-W156 HydrophobicContact CG1-CH2 3.64Å; V141-W156 HydrophobicContact CG1-CZ2 3.93Å; V141-W156 HydrophobicContact CG1-CZ3 3.56Å; V141-Y248 HydrophobicContact CG2-CE2 4.35Å
142	F	97.8	Very high	91.6	Very high	3 Å²	3	74.7 Å²	74.7	1%	0.013	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.4	170	-72.5	-92.1	0	0	0	110.1	A122 R125 N127 C128 L212 F215 V218 Y248 L250	A122-F142 WeakPolarHBondContact O-CZ 3.45Å; R125-F142 HydrophobicContact CB-CE1 3.8Å; R125-F142 HydrophobicContact CB-CZ 4.33Å; N127-F142 VanDerWaalsContact O-CA 3.32Å; N127-F142 WeakPolarHBondContact O-CA 3.39Å; C128-F142 HydrophobicContact CB-CD1 3.99Å; C128-F142 HydrophobicContact CB-CE1 3.46Å; C128-F142 VanDerWaalsContact CB-CE1 3.46Å; C128-F142 HydrophobicContact CB-CZ 3.84Å; C128-F142 VanDerWaalsContact SG-CZ 3.52Å; F142-L212 HydrophobicContact CE2-CD2 3.97Å; F142-L212 HydrophobicContact CZ-CD2 4.35Å; F142-F215 HydrophobicContact CB-CB 4.17Å; F142-F215 HydrophobicContact CB-CD1 3.72Å; F142-F215 HydrophobicContact CB-CD2 3.75Å; F142-F215 HydrophobicContact CB-CE1 3.99Å; F142-F215 HydrophobicContact CB-CE2 4.02Å; F142-F215 HydrophobicContact CB-CG 3.6Å; F142-F215 HydrophobicContact CB-CZ 4.14Å; F142-F215 AromaticContact CD1-CD1 3.66Å; F142-F215 HydrophobicContact CD1-CD1 3.66Å; F142-F215 AromaticContact CD1-CE1 3.7Å; F142-F215 HydrophobicContact CD1-CE1 3.7Å; F142-F215 HydrophobicContact CD1-CG 4.4Å; F142-F215 HydrophobicContact CD1-CZ 4.46Å; F142-F215 HydrophobicContact CD2-CB 3.48Å; F142-F215 VanDerWaalsContact CD2-CB 3.48Å; F142-F215 AromaticContact CD2-CD1 3.42Å; F142-F215 HydrophobicContact CD2-CD1 3.42Å; F142-F215 VanDerWaalsContact CD2-CD1 3.42Å; F142-F215 HydrophobicContact CD2-CE1 4.3Å; F142-F215 AromaticContact CD2-CG 3.58Å; F142-F215 HydrophobicContact CD2-CG 3.58Å; F142-F215 HydrophobicContact CE1-CD1 4.07Å; F142-F215 HydrophobicContact CE1-CE1 4.22Å; F142-F215 HydrophobicContact CE2-CB 4.13Å; F142-F215 AromaticContact CE2-CD1 3.85Å; F142-F215 HydrophobicContact CE2-CD1 3.85Å; F142-F215 HydrophobicContact CE2-CG 4.33Å; F142-F215 HydrophobicContact CG-CB 4.03Å; F142-F215 AromaticContact CG-CD1 3.29Å; F142-F215 HydrophobicContact CG-CD1 3.29Å; F142-F215 HydrophobicContact CG-CD2 4.25Å; F142-F215 AromaticContact CG-CE1 3.74Å; F142-F215 HydrophobicContact CG-CE1 3.74Å; F142-F215 AromaticContact CG-CG 3.61Å; F142-F215 HydrophobicContact CG-CG 3.61Å; F142-F215 HydrophobicContact CG-CZ 4.38Å; F142-F215 HydrophobicContact CZ-CD1 4.15Å; F142-V218 HydrophobicContact CE2-CG2 4.05Å; F142-V218 HydrophobicContact CZ-CG2 3.97Å; F142-Y248 HydrophobicContact CB-CE2 4.18Å; F142-Y248 PolarHBondContact N-OH 2.98Å; F142-Y248 WeakPolarHBondContact O-CE2 3.33Å; F142-L250 HydrophobicContact CB-CD1 4.28Å
143	A	96.3	Very high	91.6	Very high	17 Å²	17	71.2 Å²	71.2	14%	0.14	40%	0.398	C	S	.	.			trans	-152.3	137.3	-179.4	0	0	0	0	0	112.2	N127 Y129 Q145 P147	N127-A143 WeakPolarHBondContact CB-O 3.39Å; N127-A143 PolarHBondContact O-N 3.24Å; N127-A143 VanDerWaalsContact O-N 3.1Å; Y129-A143 HydrophobicContact CD2-CB 4.46Å; Y129-A143 HydrophobicContact CE2-CB 4.38Å; Y129-A143 VanDerWaalsContact CE2-O 3.3Å; Y129-A143 WeakPolarHBondContact CE2-O 3.42Å; A143-Q145 VanDerWaalsContact CB-O 3.24Å; A143-Q145 WeakPolarHBondContact CB-O 3.34Å; A143-Q145 PolarHBondContact O-N 3.23Å; A143-P147 HydrophobicContact CB-CG 4Å
144	S	92.8	Very high	91.7	Very high	70 Å²	70	72.4 Å²	72.4	49%	0.49	41%	0.406	S	S	.	.	S	Bend	trans	-64.3	-23.1	176.9	56.5	0	0	0	0	113.6	L250	S144-L250 PolarHBondContact N-O 3.2Å
145	Q	89.3	Confident	92.1	Very high	154 Å²	154	71.7 Å²	71.7	72%	0.72	41%	0.409	S	S	*	.	S	Bend	trans	-129.5	168.2	177.9	-60.2	-177.1	12.4	0	0	110.2	A143 P147	A143-Q145 VanDerWaalsContact CB-O 3.24Å; A143-Q145 WeakPolarHBondContact CB-O 3.34Å; A143-Q145 PolarHBondContact O-N 3.23Å; Q145-P147 WeakPolarHBondContact O-CD 3.5Å; Q145-P147 VanDerWaalsContact O-N 3.14Å
146	G	87.4	Confident	92.8	Very high	60 Å²	60	69.3 Å²	69.3	62%	0.619	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-52.2	118.4	176.5	0	0	0	0	0	111.6
147	P	92.4	Very high	93.3	Very high	27 Å²	27	67.9 Å²	67.9	18%	0.175	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-63.9	152.1	-178.2	-15.8	25.3	0	0	0	111.6	Y129 V141 A143 Q145 W156	Y129-P147 HydrophobicContact CD1-CG 4.12Å; Y129-P147 HydrophobicContact CD2-CG 3.89Å; Y129-P147 HydrophobicContact CE2-CG 4.41Å; Y129-P147 HydrophobicContact CG-CG 3.74Å; V141-P147 HydrophobicContact CG1-CB 3.83Å; V141-P147 HydrophobicContact CG1-CG 3.38Å; A143-P147 HydrophobicContact CB-CG 4Å; Q145-P147 WeakPolarHBondContact O-CD 3.5Å; Q145-P147 VanDerWaalsContact O-N 3.14Å; P147-W156 HydrophobicContact CB-CD2 4.25Å; P147-W156 HydrophobicContact CB-CG 3.95Å; P147-W156 HydrophobicContact CG-CB 4.18Å; P147-W156 HydrophobicContact CG-CD2 4.21Å; P147-W156 HydrophobicContact CG-CG 3.95Å
148	K	91.7	Very high	93.6	Very high	184 Å²	184	69.4 Å²	69.4	80%	0.8	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-60.8	142.6	175.3	-67.8	-179.5	-178.7	174.9	0	110.2	V150 W156	K148-V150 PolarHBondContact O-N 3.24Å; K148-W156 PolarHBondContact O-NE1 3.48Å
149	P	92.5	Very high	93.7	Very high	126 Å²	126	69.3 Å²	69.3	82%	0.818	38%	0.375	S	S	*	.	P	Polyproline II helix	trans	-54.2	137.5	172.3	-25.1	34.3	0	0	0	111.1
150	V	90.6	Very high	93.7	Very high	67 Å²	67	71.2 Å²	71.2	41%	0.406	39%	0.388	S	S	.	.			trans	-116.2	140.7	176.5	-178.2	0	0	0	0	108	K148 C153 W156	K148-V150 PolarHBondContact O-N 3.24Å; V150-C153 PolarHBondContact O-N 3.24Å; V150-W156 HydrophobicContact CG2-CZ2 4.03Å
151	E	89.1	Confident	93.6	Very high	145 Å²	145	73.3 Å²	73.3	68%	0.678	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	142.3	176.4	-156.3	-162.5	135.9	0	0	110.8	R139 C153	R139-E151 PolarHBondContact NH1-O 3.09Å; E151-C153 PolarHBondContact O-N 3.31Å
152	R	88.6	Confident	93.4	Very high	162 Å²	162	73.3 Å²	73.3	61%	0.611	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	28.6	179	-47.9	-174.9	-172.3	-168.8	-4.6	114	T133 D134	T133-R152 WeakPolarHBondContact CA-O 3.47Å; D134-R152 PolarHBondContact N-O 3.19Å; D134-R152 WeakPolarHBondContact OD2-CA 3.22Å; D134-R152 VanDerWaalsContact OD2-CB 3.28Å; D134-R152 WeakPolarHBondContact OD2-CB 3.12Å; D134-R152 WeakPolarHBondContact OD2-CG 3.39Å
153	C	93.4	Very high	93.3	Very high	21 Å²	21	74.3 Å²	74.3	14%	0.142	41%	0.406	C	S	.	.	B	Isolated β-bridge	trans	-128.9	144	166.4	-128.6	0	0	0	0	110.5	C131 F132 V150 E151	C131-C153 HydrophobicContact CB-CB 3.84Å; C131-C153 WeakPolarHBondContact CB-SG 3.44Å; C131-C153 WeakPolarHBondContact SG-CB 3.13Å; C131-C153 CovalentContact SG-SG 2.01Å; C131-C153 PolarHBondContact SG-SG 3.35Å; F132-C153 CarbonylContact O-C 3.58Å; F132-C153 WeakPolarHBondContact O-CA 3.49Å; V150-C153 PolarHBondContact O-N 3.24Å; E151-C153 PolarHBondContact O-N 3.31Å
154	S	94.3	Very high	93.1	Very high	40 Å²	40	77.5 Å²	77.5	28%	0.28	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-56.5	163.1	165.6	72.7	0	0	0	0	110.8	C131 F132 W156	C131-S154 VanDerWaalsContact CB-O 3.24Å; C131-S154 WeakPolarHBondContact CB-O 3.08Å; F132-S154 PolarHBondContact N-OG 2.88Å; F132-S154 PolarHBondContact O-N 3.47Å; S154-W156 PolarHBondContact O-N 2.77Å
155	P	95.5	Very high	93.1	Very high	111 Å²	111	82.6 Å²	82.6	72%	0.721	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-50.5	137.8	168.4	-26.5	35.4	0	0	0	111.1	V157	P155-V157 PolarHBondContact O-N 3.04Å
156	W	96.7	Very high	92.9	Very high	43 Å²	43	79.3 Å²	79.3	16%	0.163	43%	0.432	C	S	.	.	P	Polyproline II helix	trans	-63.6	132.5	178.7	-69.9	105.8	0	0	0	110.9	Y129 C131 R139 V141 P147 K148 V150 S154	Y129-W156 HydrophobicContact CD1-CB 4.08Å; C131-W156 HydrophobicContact CB-CD2 4.02Å; C131-W156 HydrophobicContact CB-CE3 3.74Å; C131-W156 HydrophobicContact CB-CZ3 4.04Å; C131-W156 WeakPolarHBondContact SG-CH2 3.03Å; C131-W156 WeakPolarHBondContact SG-CZ3 3.44Å; R139-W156 HydrophobicContact CB-CH2 4.03Å; R139-W156 HydrophobicContact CB-CZ3 4.43Å; V141-W156 HydrophobicContact CB-CH2 4Å; V141-W156 HydrophobicContact CB-CZ2 4.49Å; V141-W156 HydrophobicContact CB-CZ3 4.2Å; V141-W156 HydrophobicContact CG1-CD2 4.03Å; V141-W156 HydrophobicContact CG1-CE3 3.76Å; V141-W156 HydrophobicContact CG1-CH2 3.64Å; V141-W156 HydrophobicContact CG1-CZ2 3.93Å; V141-W156 HydrophobicContact CG1-CZ3 3.56Å; P147-W156 HydrophobicContact CB-CD2 4.25Å; P147-W156 HydrophobicContact CB-CG 3.95Å; P147-W156 HydrophobicContact CG-CB 4.18Å; P147-W156 HydrophobicContact CG-CD2 4.21Å; P147-W156 HydrophobicContact CG-CG 3.95Å; K148-W156 PolarHBondContact O-NE1 3.48Å; V150-W156 HydrophobicContact CG2-CZ2 4.03Å; S154-W156 PolarHBondContact O-N 2.77Å
157	V	95.9	Very high	92.4	Very high	52 Å²	52	80.2 Å²	80.2	32%	0.315	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.6	177.6	-171.8	0	0	0	0	109.1	Y129 M130 P155 L159 L162	Y129-V157 WeakPolarHBondContact CA-O 3.32Å; M130-V157 PolarHBondContact N-O 3.35Å; M130-V157 PolarHBondContact O-N 3.45Å; P155-V157 PolarHBondContact O-N 3.04Å; V157-L159 PolarHBondContact O-N 3.34Å; V157-L162 HydrophobicContact CG1-CB 3.96Å; V157-L162 HydrophobicContact CG1-CD1 4.43Å
158	L	97.2	Very high	92	Very high	38 Å²	38	82.3 Å²	82.3	20%	0.199	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	123.5	172.5	-175.7	68.1	0	0	0	109.2	Y129 E160 S161 L162	Y129-L158 HydrophobicContact CD1-CB 4.17Å; Y129-L158 HydrophobicContact CD2-CD1 4.21Å; Y129-L158 HydrophobicContact CE1-CB 3.89Å; Y129-L158 HydrophobicContact CE1-CD1 4.27Å; Y129-L158 HydrophobicContact CE2-CD1 3.84Å; L158-E160 VanDerWaalsContact C-N 3.28Å; L158-E160 HydrophobicContact CD2-CB 4.38Å; L158-E160 HydrophobicContact CG-CB 4.28Å; L158-E160 PolarHBondContact O-N 3.17Å; L158-S161 WeakPolarHBondContact O-CB 3.42Å; L158-S161 PolarHBondContact O-N 2.52Å; L158-S161 VanDerWaalsContact O-N 3.16Å; L158-L162 PolarHBondContact O-N 2.9Å
159	L	96.4	Very high	92	Very high	1 Å²	1	75 Å²	75	1%	0.005	42%	0.424	C	S	.	.	H	α-helix	trans	-61.8	-35.8	-174.5	-81.1	-179.8	0	0	0	112.9	T123 C128 M130 F140 V157 L162 R163 L172 I176	T123-L159 HydrophobicContact CG2-CD1 4.48Å; C128-L159 HydrophobicContact CB-CD1 4.15Å; C128-L159 WeakPolarHBondContact O-CB 3.47Å; C128-L159 PolarHBondContact O-N 3.01Å; M130-L159 HydrophobicContact CB-CD1 4.45Å; M130-L159 HydrophobicContact CB-CD2 3.58Å; M130-L159 HydrophobicContact CB-CG 3.92Å; M130-L159 HydrophobicContact CE-CD2 3.84Å; M130-L159 HydrophobicContact CG-CD2 4.34Å; M130-L159 HydrophobicContact SD-CD2 3.89Å; F140-L159 HydrophobicContact CD1-CD1 4.11Å; F140-L159 HydrophobicContact CE1-CD1 3.97Å; V157-L159 PolarHBondContact O-N 3.34Å; L159-L162 HydrophobicContact CD2-CD2 4.31Å; L159-L162 PolarHBondContact O-N 2.86Å; L159-R163 WeakPolarHBondContact O-CB 3.47Å; L159-R163 WeakPolarHBondContact O-CG 3.5Å; L159-R163 PolarHBondContact O-N 2.56Å; L159-L172 HydrophobicContact CD2-CD2 4.47Å; L159-I176 HydrophobicContact CD2-CD1 4.22Å
160	E	95.4	Very high	92	Very high	135 Å²	135	72.8 Å²	72.8	63%	0.631	41%	0.408	S	S	*	.	H	α-helix	trans	-58.3	-50.7	174.7	-175	180	179.6	0	0	111.1	L158 L162 R163 A164	L158-E160 VanDerWaalsContact C-N 3.28Å; L158-E160 HydrophobicContact CD2-CB 4.38Å; L158-E160 HydrophobicContact CG-CB 4.28Å; L158-E160 PolarHBondContact O-N 3.17Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.18Å; E160-R163 PolarHBondContact O-N 3.41Å; E160-A164 WeakPolarHBondContact O-CB 3.32Å; E160-A164 PolarHBondContact O-N 3.48Å
161	S	94.4	Very high	92	Very high	52 Å²	52	76.7 Å²	76.7	36%	0.364	42%	0.42	S	S	.	.	H	α-helix	trans	-61.7	-37.5	175.8	-64.5	0	0	0	0	112.6	L158 K165	L158-S161 WeakPolarHBondContact O-CB 3.42Å; L158-S161 PolarHBondContact O-N 2.52Å; L158-S161 VanDerWaalsContact O-N 3.16Å; S161-K165 VanDerWaalsContact O-CG 3.28Å; S161-K165 WeakPolarHBondContact O-CG 3.3Å; S161-K165 PolarHBondContact O-N 3.38Å
162	L	94	Very high	92.2	Very high	31 Å²	31	70.1 Å²	70.1	16%	0.162	39%	0.389	C	S	.	.	H	α-helix	trans	-67	-46	177.3	-175.3	60.3	0	0	0	111.3	M130 V157 L158 L159 E160 A164 K165 M166 L172	M130-L162 HydrophobicContact CE-CD2 3.58Å; V157-L162 HydrophobicContact CG1-CB 3.96Å; V157-L162 HydrophobicContact CG1-CD1 4.43Å; L158-L162 PolarHBondContact O-N 2.9Å; L159-L162 HydrophobicContact CD2-CD2 4.31Å; L159-L162 PolarHBondContact O-N 2.86Å; E160-L162 VanDerWaalsContact C-N 3.31Å; E160-L162 PolarHBondContact O-N 3.18Å; L162-A164 PolarHBondContact O-N 2.61Å; L162-K165 PolarHBondContact O-N 3.36Å; L162-M166 HydrophobicContact CD1-CG 4.28Å; L162-M166 HydrophobicContact CD1-SD 4.11Å; L162-M166 HydrophobicContact CG-SD 4.02Å; L162-M166 WeakPolarHBondContact O-CG 3.4Å; L162-M166 PolarHBondContact O-N 2.82Å; L162-M166 VanDerWaalsContact O-N 3.13Å; L162-L172 HydrophobicContact CB-CD2 4.47Å; L162-L172 HydrophobicContact CD2-CD1 3.97Å; L162-L172 HydrophobicContact CD2-CD2 3.82Å; L162-L172 HydrophobicContact CG-CD2 3.91Å
163	R	95.1	Very high	92.6	Very high	25 Å²	25	62.4 Å²	62.4	9%	0.094	36%	0.361	C	S	.	.	H	α-helix	trans	-59.6	-44.7	176.1	-77.1	-176.2	177.2	113.3	0.4	111.8	T123 Y124 L159 E160 K165 M166 A169 L172 D173	T123-R163 PolarHBondContact O-NH1 2.9Å; T123-R163 PolarHBondContact OG1-NH2 3.14Å; Y124-R163 VanDerWaalsContact CE2-CZ 3.45Å; Y124-R163 VanDerWaalsContact CZ-NE 3.28Å; Y124-R163 PolarHBondContact OH-NE 3.03Å; L159-R163 WeakPolarHBondContact O-CB 3.47Å; L159-R163 WeakPolarHBondContact O-CG 3.5Å; L159-R163 PolarHBondContact O-N 2.56Å; E160-R163 PolarHBondContact O-N 3.41Å; R163-K165 VanDerWaalsContact C-N 3.28Å; R163-K165 PolarHBondContact O-N 3.09Å; R163-M166 PolarHBondContact O-N 2.73Å; R163-A169 HydrophobicContact CB-CB 4.47Å; R163-A169 HydrophobicContact CG-CB 4.27Å; R163-L172 HydrophobicContact CG-CD2 3.72Å; R163-D173 IonicContact CZ-OD1 2.68Å; R163-D173 IonicContact NE-OD1 3.73Å; R163-D173 PolarHBondContact NE-OD1 2.85Å; R163-D173 IonicContact NH2-OD1 3.38Å; R163-D173 PolarHBondContact NH2-OD1 3.15Å
164	A	93.2	Very high	92.6	Very high	84 Å²	84	65 Å²	65	69%	0.694	37%	0.373	S	S	*	.	H	α-helix	trans	-60.7	-36.1	177.7	0	0	0	0	0	112.6	E160 L162	E160-A164 WeakPolarHBondContact O-CB 3.32Å; E160-A164 PolarHBondContact O-N 3.48Å; L162-A164 PolarHBondContact O-N 2.61Å
165	K	91.7	Very high	92.6	Very high	176 Å²	176	65.9 Å²	65.9	77%	0.765	38%	0.379	S	S	*	.	H	α-helix	trans	-77	-29.8	180	-74	174.6	-178	-178.8	0	114.3	S161 L162 R163 G167	S161-K165 VanDerWaalsContact O-CG 3.28Å; S161-K165 WeakPolarHBondContact O-CG 3.3Å; S161-K165 PolarHBondContact O-N 3.38Å; L162-K165 PolarHBondContact O-N 3.36Å; R163-K165 VanDerWaalsContact C-N 3.28Å; R163-K165 PolarHBondContact O-N 3.09Å; K165-G167 VanDerWaalsContact C-N 3.34Å; K165-G167 PolarHBondContact O-N 3.25Å
166	M	85.4	Confident	92.6	Very high	86 Å²	86	60.6 Å²	60.6	42%	0.424	35%	0.345	S	S	.	.	H	α-helix	trans	-78.2	-12.9	-170.8	-75.8	-175.5	69.6	0	0	114.6	L162 R163 N168 L172	L162-M166 HydrophobicContact CD1-CG 4.28Å; L162-M166 HydrophobicContact CD1-SD 4.11Å; L162-M166 HydrophobicContact CG-SD 4.02Å; L162-M166 WeakPolarHBondContact O-CG 3.4Å; L162-M166 PolarHBondContact O-N 2.82Å; L162-M166 VanDerWaalsContact O-N 3.13Å; R163-M166 PolarHBondContact O-N 2.73Å; M166-N168 PolarHBondContact O-N 2.85Å; M166-L172 HydrophobicContact CE-CB 4Å; M166-L172 HydrophobicContact SD-CB 3.79Å; M166-L172 HydrophobicContact SD-CD1 4.05Å; M166-L172 HydrophobicContact SD-CD2 3.95Å; M166-L172 HydrophobicContact SD-CG 4.14Å
167	G	76.8	Confident	92.5	Very high	78 Å²	78	61.3 Å²	61.3	80%	0.804	35%	0.347	S	S	*	.	S	Bend	trans	67	-25.6	-178.3	0	0	0	0	0	115.2	K165	K165-G167 VanDerWaalsContact C-N 3.34Å; K165-G167 PolarHBondContact O-N 3.25Å
168	N	84.3	Confident	92.5	Very high	71 Å²	71	60.2 Å²	60.2	38%	0.38	35%	0.347	S	S	.	.			trans	-133.1	95.6	173.6	-177.4	-25.3	0	0	0	110.1	M166 T170 K171	M166-N168 PolarHBondContact O-N 2.85Å; N168-T170 PolarHBondContact O-N 3.39Å; N168-T170 WeakPolarHBondContact OD1-CA 3.28Å; N168-T170 WeakPolarHBondContact OD1-CB 3.43Å; N168-T170 PolarHBondContact OD1-N 2.91Å; N168-T170 PolarHBondContact OD1-OG1 3.49Å; N168-K171 PolarHBondContact O-N 3.44Å; N168-K171 PolarHBondContact OD1-N 3.2Å
169	A	90.6	Very high	92.4	Very high	31 Å²	31	59.1 Å²	59.1	26%	0.256	34%	0.341	S	S	.	.	H	α-helix	trans	-65.2	-24.3	178.5	0	0	0	0	0	113.3	R163 K171 L172 D173	R163-A169 HydrophobicContact CB-CB 4.47Å; R163-A169 HydrophobicContact CG-CB 4.27Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 3.21Å; A169-L172 PolarHBondContact O-N 3.41Å; A169-D173 PolarHBondContact O-N 2.98Å
170	T	92.7	Very high	92.4	Very high	79 Å²	79	59.1 Å²	59.1	49%	0.485	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-37.4	-179.4	-47.5	0	0	0	0	112.3	N168 D173 N174	N168-T170 PolarHBondContact O-N 3.39Å; N168-T170 WeakPolarHBondContact OD1-CA 3.28Å; N168-T170 WeakPolarHBondContact OD1-CB 3.43Å; N168-T170 PolarHBondContact OD1-N 2.91Å; N168-T170 PolarHBondContact OD1-OG1 3.49Å; T170-D173 PolarHBondContact O-N 2.98Å; T170-N174 WeakPolarHBondContact O-CB 3.49Å; T170-N174 PolarHBondContact O-N 3.33Å; T170-N174 PolarHBondContact O-ND2 3.44Å; T170-N174 PolarHBondContact O-OD1 3Å
171	K	91.9	Very high	92.4	Very high	150 Å²	150	53 Å²	53	65%	0.652	31%	0.313	S	S	*	.	H	α-helix	trans	-64.5	-41.3	176.5	-74.3	-173.9	177.9	-179.3	0	112	N168 A169 S175	N168-K171 PolarHBondContact O-N 3.44Å; N168-K171 PolarHBondContact OD1-N 3.2Å; A169-K171 VanDerWaalsContact C-N 3.32Å; A169-K171 PolarHBondContact O-N 3.21Å; K171-S175 PolarHBondContact O-N 2.82Å; K171-S175 VanDerWaalsContact O-N 3.1Å
172	L	93.3	Very high	92.6	Very high	6 Å²	6	50.6 Å²	50.6	3%	0.031	30%	0.296	C	S	.	.	H	α-helix	trans	-65.2	-48.3	175.9	-179.9	61.3	0	0	0	110.9	M130 L159 L162 R163 M166 A169 N174 S175 I176	M130-L172 HydrophobicContact CE-CD1 4.05Å; L159-L172 HydrophobicContact CD2-CD2 4.47Å; L162-L172 HydrophobicContact CB-CD2 4.47Å; L162-L172 HydrophobicContact CD2-CD1 3.97Å; L162-L172 HydrophobicContact CD2-CD2 3.82Å; L162-L172 HydrophobicContact CG-CD2 3.91Å; R163-L172 HydrophobicContact CG-CD2 3.72Å; M166-L172 HydrophobicContact CE-CB 4Å; M166-L172 HydrophobicContact SD-CB 3.79Å; M166-L172 HydrophobicContact SD-CD1 4.05Å; M166-L172 HydrophobicContact SD-CD2 3.95Å; M166-L172 HydrophobicContact SD-CG 4.14Å; A169-L172 PolarHBondContact O-N 3.41Å; L172-N174 VanDerWaalsContact C-N 3.3Å; L172-N174 PolarHBondContact O-N 2.85Å; L172-S175 CarbonylContact O-C 3.44Å; L172-S175 WeakPolarHBondContact O-CA 3.33Å; L172-S175 WeakPolarHBondContact O-CB 3.42Å; L172-S175 PolarHBondContact O-N 3.16Å; L172-I176 HydrophobicContact CD1-CD1 4.28Å; L172-I176 HydrophobicContact CD1-CG1 4.36Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 HydrophobicContact CG-CG1 4.48Å; L172-I176 WeakPolarHBondContact O-CG1 3.18Å; L172-I176 PolarHBondContact O-N 2.78Å
173	D	95.7	Very high	92.7	Very high	1 Å²	1	51 Å²	51	1%	0.005	30%	0.296	C	S	.	.	H	α-helix	trans	-59.5	-40.8	179.3	-74.3	-4	0	0	0	111.8	V119 K120 Y124 R163 A169 T170 S175 I176 R177	V119-D173 HydrophobicContact CG1-CB 3.7Å; K120-D173 IonicContact NZ-OD2 3.23Å; K120-D173 PolarHBondContact NZ-OD2 2.88Å; Y124-D173 VanDerWaalsContact OH-CG 3.32Å; Y124-D173 PolarHBondContact OH-OD1 3.16Å; Y124-D173 PolarHBondContact OH-OD2 2.91Å; R163-D173 IonicContact CZ-OD1 2.68Å; R163-D173 IonicContact NE-OD1 3.73Å; R163-D173 PolarHBondContact NE-OD1 2.85Å; R163-D173 IonicContact NH2-OD1 3.38Å; R163-D173 PolarHBondContact NH2-OD1 3.15Å; A169-D173 PolarHBondContact O-N 2.98Å; T170-D173 PolarHBondContact O-N 2.98Å; D173-S175 VanDerWaalsContact C-N 3.32Å; D173-S175 PolarHBondContact O-N 3.26Å; D173-I176 PolarHBondContact O-N 2.78Å; D173-R177 WeakPolarHBondContact O-CB 3.36Å; D173-R177 PolarHBondContact O-N 3.15Å
174	N	94.5	Very high	92.6	Very high	76 Å²	76	50.9 Å²	50.9	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-64.1	-37.4	174.6	-68.4	-8.7	0	0	0	112.1	T170 L172 R177 G178	T170-N174 WeakPolarHBondContact O-CB 3.49Å; T170-N174 PolarHBondContact O-N 3.33Å; T170-N174 PolarHBondContact O-ND2 3.44Å; T170-N174 PolarHBondContact O-OD1 3Å; L172-N174 VanDerWaalsContact C-N 3.3Å; L172-N174 PolarHBondContact O-N 2.85Å; N174-R177 PolarHBondContact OD1-NH1 3.06Å; N174-G178 PolarHBondContact O-N 3.04Å; N174-G178 VanDerWaalsContact O-N 3.08Å
175	S	92.9	Very high	92.5	Very high	57 Å²	57	53.2 Å²	53.2	40%	0.399	30%	0.299	S	S	.	.	H	α-helix	trans	-68.9	-40.1	176.3	178.2	0	0	0	0	112.2	K171 L172 D173 N179	K171-S175 PolarHBondContact O-N 2.82Å; K171-S175 VanDerWaalsContact O-N 3.1Å; L172-S175 CarbonylContact O-C 3.44Å; L172-S175 WeakPolarHBondContact O-CA 3.33Å; L172-S175 WeakPolarHBondContact O-CB 3.42Å; L172-S175 PolarHBondContact O-N 3.16Å; D173-S175 VanDerWaalsContact C-N 3.32Å; D173-S175 PolarHBondContact O-N 3.26Å; S175-N179 PolarHBondContact O-N 3.13Å; S175-N179 PolarHBondContact O-ND2 3.02Å
176	I	95.6	Very high	92.5	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.7	-50.8	173.7	-67.5	169.9	0	0	0	109.1	V119 T123 M130 F140 L159 L172 D173 G178 N179 L180	V119-I176 HydrophobicContact CG2-CG2 4.04Å; T123-I176 HydrophobicContact CG2-CG2 4.32Å; M130-I176 HydrophobicContact SD-CD1 4.16Å; M130-I176 HydrophobicContact SD-CG1 3.98Å; F140-I176 HydrophobicContact CZ-CG1 4.41Å; F140-I176 HydrophobicContact CZ-CG2 3.81Å; L159-I176 HydrophobicContact CD2-CD1 4.22Å; L172-I176 HydrophobicContact CD1-CD1 4.28Å; L172-I176 HydrophobicContact CD1-CG1 4.36Å; L172-I176 HydrophobicContact CG-CD1 4Å; L172-I176 HydrophobicContact CG-CG1 4.48Å; L172-I176 WeakPolarHBondContact O-CG1 3.18Å; L172-I176 PolarHBondContact O-N 2.78Å; D173-I176 PolarHBondContact O-N 2.78Å; I176-G178 VanDerWaalsContact C-N 3.29Å; I176-G178 PolarHBondContact O-N 2.94Å; I176-N179 WeakPolarHBondContact O-CA 3.47Å; I176-N179 PolarHBondContact O-N 3.38Å; I176-L180 HydrophobicContact CG2-CD1 3.95Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 WeakPolarHBondContact O-CG 3.17Å; I176-L180 PolarHBondContact O-N 3.13Å
177	R	96.2	Very high	93	Very high	58 Å²	58	52.2 Å²	52.2	22%	0.219	29%	0.291	C	S	.	.	H	α-helix	trans	-49.4	-50.5	177.7	-175.5	-171	-60.4	124.1	-2.8	111.9	V115 E116 V119 D173 N174 N179 L180 T181	V115-R177 HydrophobicContact CG1-CB 4.39Å; V115-R177 HydrophobicContact CG1-CG 3.79Å; E116-R177 VanDerWaalsContact CD-NH2 3.34Å; E116-R177 WeakPolarHBondContact OE1-CD 3.3Å; E116-R177 IonicContact OE1-CZ 3.21Å; E116-R177 IonicContact OE1-NE 3.63Å; E116-R177 PolarHBondContact OE1-NE 2.88Å; E116-R177 IonicContact OE1-NH2 2.65Å; E116-R177 PolarHBondContact OE1-NH2 3Å; E116-R177 IonicContact OE2-CZ 2.68Å; E116-R177 IonicContact OE2-NE 3.18Å; E116-R177 IonicContact OE2-NH2 2.9Å; E116-R177 PolarHBondContact OE2-NH2 3.43Å; V119-R177 HydrophobicContact CG2-CB 4Å; D173-R177 WeakPolarHBondContact O-CB 3.36Å; D173-R177 PolarHBondContact O-N 3.15Å; N174-R177 PolarHBondContact OD1-NH1 3.06Å; R177-N179 PolarHBondContact O-N 3.37Å; R177-N179 VanDerWaalsContact O-N 3.12Å; R177-L180 PolarHBondContact O-N 3.34Å; R177-T181 WeakPolarHBondContact O-CG2 3.17Å
178	G	94.6	Very high	93.9	Very high	29 Å²	29	48.5 Å²	48.5	30%	0.299	25%	0.253	S	S	.	.	H	α-helix	trans	-59.9	-23.2	-179.2	0	0	0	0	0	114.1	N174 I176 R201	N174-G178 PolarHBondContact O-N 3.04Å; N174-G178 VanDerWaalsContact O-N 3.08Å; I176-G178 VanDerWaalsContact C-N 3.29Å; I176-G178 PolarHBondContact O-N 2.94Å; G178-R201 PolarHBondContact O-NH2 3.41Å
179	N	95.5	Very high	94.3	Very high	15 Å²	15	47.9 Å²	47.9	8%	0.08	25%	0.248	C	C	.	.	H	α-helix	trans	-87.8	-9.2	175.9	-75.9	-68.2	0	0	0	115	V138 S175 I176 R177 R201 A205	V138-N179 HydrophobicContact CG2-CB 3.72Å; S175-N179 PolarHBondContact O-N 3.13Å; S175-N179 PolarHBondContact O-ND2 3.02Å; I176-N179 WeakPolarHBondContact O-CA 3.47Å; I176-N179 PolarHBondContact O-N 3.38Å; R177-N179 PolarHBondContact O-N 3.37Å; R177-N179 VanDerWaalsContact O-N 3.12Å; N179-R201 VanDerWaalsContact CA-NH2 3.34Å; N179-R201 PolarHBondContact OD1-NH1 2.8Å; N179-R201 PolarHBondContact OD1-NH2 2.88Å; N179-A205 WeakPolarHBondContact O-CA 3.42Å
180	L	96.4	Very high	94.6	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.266	C	S	.	.	S	Bend	trans	-106.7	7.8	-178.9	-57.3	-173.9	0	0	0	112.6	V115 L118 V119 F140 I176 R177 A208 L209 L212	V115-L180 HydrophobicContact CG1-CB 3.67Å; V115-L180 HydrophobicContact CG1-CD1 4.24Å; V115-L180 HydrophobicContact CG2-CB 4.43Å; L118-L180 HydrophobicContact CB-CD1 4.19Å; V119-L180 HydrophobicContact CG2-CD1 4.27Å; F140-L180 HydrophobicContact CE2-CD2 4.16Å; I176-L180 HydrophobicContact CG2-CD1 3.95Å; I176-L180 HydrophobicContact CG2-CG 4.33Å; I176-L180 WeakPolarHBondContact O-CG 3.17Å; I176-L180 PolarHBondContact O-N 3.13Å; R177-L180 PolarHBondContact O-N 3.34Å; L180-A208 HydrophobicContact CD2-CB 3.68Å; L180-L209 HydrophobicContact CB-CD2 4.1Å; L180-L209 HydrophobicContact CD1-CD2 4Å; L180-L209 HydrophobicContact CD2-CD2 3.69Å; L180-L209 HydrophobicContact CD2-CG 4.04Å; L180-L209 HydrophobicContact CG-CD2 4.11Å; L180-L212 HydrophobicContact CD1-CD1 4.18Å
181	T	96.4	Very high	94.7	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.043	26%	0.258	C	S	.	.			trans	-150.3	161.7	-176.1	-170.4	0	0	0	0	111.1	R177 F183 A439 M440	R177-T181 WeakPolarHBondContact O-CG2 3.17Å; T181-F183 HydrophobicContact CG2-CB 3.9Å; T181-F183 WeakPolarHBondContact OG1-CB 3.46Å; T181-F183 PolarHBondContact OG1-N 2.96Å; T181-F183 VanDerWaalsContact OG1-N 3.1Å; T181-A439 PolarHBondContact OG1-O 2.95Å; T181-M440 PolarHBondContact OG1-O 3.37Å
182	L	97.4	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.23	C	C	.	.	S	Bend	trans	-88.2	-12.6	165.1	-63.4	-175.7	0	0	0	112.4	F81 T184 Y192 V198 R201 F202 V409 L410 M440 F441	F81-L182 HydrophobicContact CE2-CB 4.44Å; F81-L182 WeakPolarHBondContact CE2-O 3.32Å; F81-L182 HydrophobicContact CZ-CB 3.91Å; F81-L182 WeakPolarHBondContact CZ-O 3.48Å; L182-T184 PolarHBondContact O-N 3.42Å; L182-Y192 WeakPolarHBondContact O-CE2 3.49Å; L182-Y192 PolarHBondContact O-OH 3.3Å; L182-V198 HydrophobicContact CD1-CG2 3.82Å; L182-V198 HydrophobicContact CD2-CG2 4.42Å; L182-R201 HydrophobicContact CD2-CB 3.94Å; L182-R201 HydrophobicContact CD2-CG 3.58Å; L182-F202 HydrophobicContact CD1-CB 4.13Å; L182-F202 HydrophobicContact CD1-CD2 3.6Å; L182-F202 HydrophobicContact CD1-CE2 4.29Å; L182-F202 HydrophobicContact CD1-CG 4.15Å; L182-F202 HydrophobicContact CD2-CB 4.1Å; L182-F202 HydrophobicContact CD2-CD2 4.41Å; L182-F202 HydrophobicContact CG-CB 4.49Å; L182-F202 HydrophobicContact CG-CD2 3.97Å; L182-V409 HydrophobicContact CB-CG1 4.37Å; L182-V409 HydrophobicContact CD1-CG1 3.72Å; L182-L410 HydrophobicContact CD1-CD2 4.17Å; L182-M440 WeakPolarHBondContact CB-O 3.49Å; L182-M440 PolarHBondContact N-O 3Å; L182-F441 HydrophobicContact CD1-CD1 4.3Å; L182-F441 HydrophobicContact CD1-CE1 4.12Å
183	F	95.7	Very high	95.1	Very high	39 Å²	39	48.5 Å²	48.5	17%	0.171	26%	0.256	C	S	.	.			trans	-58.7	132.5	179.3	177.5	-96.3	0	0	0	111.4	F81 R84 T181 D185	F81-F183 HydrophobicContact CB-CD2 4.09Å; F81-F183 HydrophobicContact CB-CE2 4.09Å; F81-F183 AromaticContact CD1-CD2 3.97Å; F81-F183 HydrophobicContact CD1-CD2 3.97Å; F81-F183 AromaticContact CG-CD2 3.99Å; F81-F183 HydrophobicContact CG-CD2 3.99Å; F81-F183 HydrophobicContact CG-CE2 4.5Å; R84-F183 VanDerWaalsContact NH2-CE2 3.27Å; T181-F183 HydrophobicContact CG2-CB 3.9Å; T181-F183 WeakPolarHBondContact OG1-CB 3.46Å; T181-F183 PolarHBondContact OG1-N 2.96Å; T181-F183 VanDerWaalsContact OG1-N 3.1Å; F183-D185 WeakPolarHBondContact CZ-OD1 3.26Å
184	T	94	Very high	95.2	Very high	24 Å²	24	50.3 Å²	50.3	15%	0.147	27%	0.269	C	S	.	.			trans	-138.5	140.8	176.6	-178.2	0	0	0	0	110.4	F81 L182 R186 P188 E191 Y192	F81-T184 HydrophobicContact CD2-CG2 4.14Å; F81-T184 HydrophobicContact CE2-CG2 4.49Å; L182-T184 PolarHBondContact O-N 3.42Å; T184-R186 PolarHBondContact OG1-N 3.06Å; T184-P188 HydrophobicContact CG2-CB 4.35Å; T184-E191 HydrophobicContact CG2-CB 4.38Å; T184-E191 HydrophobicContact CG2-CG 4.2Å; T184-Y192 HydrophobicContact CG2-CE2 4.02Å
185	D	89.9	Confident	95.4	Very high	132 Å²	132	48.4 Å²	48.4	71%	0.706	26%	0.258	S	S	*	.	S	Bend	trans	-79.7	-9.2	172.5	-69.2	-56.8	0	0	0	112.4	F183	F183-D185 WeakPolarHBondContact CZ-OD1 3.26Å
186	R	93.6	Very high	95.6	Very high	175 Å²	175	48.8 Å²	48.8	66%	0.66	26%	0.255	S	S	*	.	S	Bend	trans	-84.4	177	173.7	-62.3	176.2	-179.7	-179.3	3	110.3	T184 P188 E191	T184-R186 PolarHBondContact OG1-N 3.06Å; R186-P188 WeakPolarHBondContact O-CD 3.47Å; R186-E191 HydrophobicContact CB-CG 3.87Å; R186-E191 WeakPolarHBondContact CD-OE1 3.37Å; R186-E191 IonicContact CZ-OE1 3.89Å; R186-E191 IonicContact NE-OE1 2.98Å; R186-E191 IonicContact NH1-OE1 2.99Å; R186-E191 PolarHBondContact NH1-OE1 2.98Å
187	D	95.2	Very high	95.6	Very high	66 Å²	66	51.6 Å²	51.6	35%	0.353	27%	0.272	S	S	.	.			trans	-68.9	112.2	175.2	-169.5	-4.1	0	0	0	111	K82 E189 T190 E191	K82-D187 WeakPolarHBondContact CE-OD1 3.42Å; K82-D187 IonicContact NZ-OD1 2.69Å; K82-D187 PolarHBondContact NZ-OD1 2.71Å; K82-D187 IonicContact NZ-OD2 3.66Å; K82-D187 PolarHBondContact NZ-OD2 2.86Å; D187-E189 PolarHBondContact O-N 2.93Å; D187-E189 PolarHBondContact OD1-N 3.17Å; D187-T190 PolarHBondContact O-N 3.38Å; D187-E191 PolarHBondContact O-N 3.25Å
188	P	95.4	Very high	95.7	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-27.3	179.1	22.4	-34.9	0	0	0	113.7	H79 F81 T184 R186 T190 Y192	H79-P188 HydrophobicContact CB-CG 4.05Å; F81-P188 HydrophobicContact CD2-CB 3.92Å; F81-P188 HydrophobicContact CD2-CG 4.31Å; F81-P188 HydrophobicContact CE2-CB 4.39Å; T184-P188 HydrophobicContact CG2-CB 4.35Å; R186-P188 WeakPolarHBondContact O-CD 3.47Å; P188-T190 VanDerWaalsContact C-N 3.25Å; P188-T190 PolarHBondContact O-N 2.98Å; P188-Y192 HydrophobicContact CB-CD2 4.25Å; P188-Y192 WeakPolarHBondContact O-CA 3.14Å; P188-Y192 WeakPolarHBondContact O-CB 3.27Å; P188-Y192 PolarHBondContact O-N 3.35Å
189	E	93.3	Very high	95.9	Very high	58 Å²	58	48.4 Å²	48.4	27%	0.271	25%	0.251	S	S	.	.	H	α-helix	trans	-70.3	-26.2	177	-66.5	-74.2	-168.3	0	0	112.2	D187 K411 K414	D187-E189 PolarHBondContact O-N 2.93Å; D187-E189 PolarHBondContact OD1-N 3.17Å; E189-K411 IonicContact OE2-NZ 2.71Å; E189-K411 PolarHBondContact OE2-NZ 3.03Å; E189-K414 WeakPolarHBondContact OE1-CE 3.48Å; E189-K414 IonicContact OE1-NZ 2.81Å; E189-K414 IonicContact OE2-NZ 2.65Å
190	T	95.7	Very high	95.9	Very high	104 Å²	104	52.9 Å²	52.9	64%	0.638	28%	0.275	S	S	*	.	H	α-helix	trans	-86.6	-41.5	175.2	-56.1	0	0	0	0	111.4	D187 P188 Y192	D187-T190 PolarHBondContact O-N 3.38Å; P188-T190 VanDerWaalsContact C-N 3.25Å; P188-T190 PolarHBondContact O-N 2.98Å; T190-Y192 VanDerWaalsContact C-N 3.34Å
191	E	95.4	Very high	95.9	Very high	67 Å²	67	55.6 Å²	55.6	31%	0.313	29%	0.285	S	S	.	.	H	α-helix	trans	-67	-36.2	177.7	-71.4	-67.7	148.5	0	0	112.1	T184 R186 D187 P193	T184-E191 HydrophobicContact CG2-CB 4.38Å; T184-E191 HydrophobicContact CG2-CG 4.2Å; R186-E191 HydrophobicContact CB-CG 3.87Å; R186-E191 WeakPolarHBondContact CD-OE1 3.37Å; R186-E191 IonicContact CZ-OE1 3.89Å; R186-E191 IonicContact NE-OE1 2.98Å; R186-E191 IonicContact NH1-OE1 2.99Å; R186-E191 PolarHBondContact NH1-OE1 2.98Å; D187-E191 PolarHBondContact O-N 3.25Å; E191-P193 WeakPolarHBondContact O-CD 3.33Å
192	Y	97.1	Very high	95.9	Very high	19 Å²	19	55.6 Å²	55.6	8%	0.075	28%	0.284	C	S	.	.			trans	-123.7	77.3	-178.2	-50.8	-57.6	0	0	0	110.5	F81 L182 T184 P188 T190 S194 V197 V198 R201 K411	F81-Y192 HydrophobicContact CE2-CE2 4.2Å; L182-Y192 WeakPolarHBondContact O-CE2 3.49Å; L182-Y192 PolarHBondContact O-OH 3.3Å; T184-Y192 HydrophobicContact CG2-CE2 4.02Å; P188-Y192 HydrophobicContact CB-CD2 4.25Å; P188-Y192 WeakPolarHBondContact O-CA 3.14Å; P188-Y192 WeakPolarHBondContact O-CB 3.27Å; P188-Y192 PolarHBondContact O-N 3.35Å; T190-Y192 VanDerWaalsContact C-N 3.34Å; Y192-S194 VanDerWaalsContact C-N 3.28Å; Y192-S194 PolarHBondContact O-N 3.2Å; Y192-V197 HydrophobicContact CD1-CG1 4.33Å; Y192-V198 HydrophobicContact CD1-CB 4.25Å; Y192-V198 HydrophobicContact CD1-CG2 4.4Å; Y192-V198 HydrophobicContact CG-CB 4.17Å; Y192-V198 HydrophobicContact CG-CG2 4.24Å; Y192-R201 HydrophobicContact CE1-CB 4.12Å; Y192-R201 HydrophobicContact CE1-CG 4.02Å; Y192-K411 WeakPolarHBondContact O-CD 3.39Å; Y192-K411 WeakPolarHBondContact O-CE 3.31Å; Y192-K411 PolarHBondContact O-NZ 2.81Å
193	P	96.8	Very high	95.8	Very high	88 Å²	88	59.1 Å²	59.1	57%	0.571	30%	0.301	S	S	*	.			trans	-71.9	-19.3	-174.4	28.2	-35.8	0	0	0	113.7	E191 V197	E191-P193 WeakPolarHBondContact O-CD 3.33Å; P193-V197 HydrophobicContact CG-CG2 4.13Å
194	S	97.6	Very high	95.8	Very high	40 Å²	40	58.6 Å²	58.6	28%	0.28	30%	0.304	S	S	.	.	S	Bend	trans	-142.7	164.6	-179.7	75.3	0	0	0	0	112.3	Y192 D196 V197 V198	Y192-S194 VanDerWaalsContact C-N 3.28Å; Y192-S194 PolarHBondContact O-N 3.2Å; S194-D196 PolarHBondContact O-N 3.38Å; S194-D196 PolarHBondContact OG-N 3.46Å; S194-V197 PolarHBondContact O-N 3.1Å; S194-V197 PolarHBondContact OG-N 3.28Å; S194-V198 PolarHBondContact O-N 3.37Å
195	Q	98	Very high	95.9	Very high	36 Å²	36	57.5 Å²	57.5	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-58.2	-36.4	172.3	-70.9	-167.5	59.5	0	0	111.4	V197 V198 W199 K411	Q195-V197 PolarHBondContact O-N 3.46Å; Q195-V198 VanDerWaalsContact O-CG1 3.29Å; Q195-V198 WeakPolarHBondContact O-CG1 3.42Å; Q195-V198 PolarHBondContact O-N 3.13Å; Q195-W199 WeakPolarHBondContact O-CB 3.47Å; Q195-W199 VanDerWaalsContact O-CD1 3.26Å; Q195-W199 PolarHBondContact O-N 2.85Å; Q195-K411 HydrophobicContact CG-CB 4.04Å
196	D	97.1	Very high	96.1	Very high	65 Å²	65	53.1 Å²	53.1	35%	0.348	27%	0.272	S	S	.	.	H	α-helix	trans	-60.8	-44.2	177.2	-57.3	-49.5	0	0	0	112.8	S194 N200 R322 Q325	S194-D196 PolarHBondContact O-N 3.38Å; S194-D196 PolarHBondContact OG-N 3.46Å; D196-N200 WeakPolarHBondContact O-CB 3.28Å; D196-N200 PolarHBondContact O-N 3.41Å; D196-N200 PolarHBondContact O-ND2 3.11Å; D196-N200 VanDerWaalsContact O-ND2 3.14Å; D196-R322 IonicContact OD1-CZ 2.81Å; D196-R322 IonicContact OD1-NH1 3.72Å; D196-R322 PolarHBondContact OD1-NH1 3.34Å; D196-R322 IonicContact OD1-NH2 3.8Å; D196-R322 PolarHBondContact OD1-NH2 2.82Å; D196-Q325 PolarHBondContact OD1-NE2 3.03Å
197	V	97.1	Very high	96.2	Very high	59 Å²	59	46.8 Å²	46.8	36%	0.358	26%	0.261	S	S	.	.	H	α-helix	trans	-68.1	-44.4	-177.3	179.1	0	0	0	0	110.9	Y192 P193 S194 Q195 N200 R201	Y192-V197 HydrophobicContact CD1-CG1 4.33Å; P193-V197 HydrophobicContact CG-CG2 4.13Å; S194-V197 PolarHBondContact O-N 3.1Å; S194-V197 PolarHBondContact OG-N 3.28Å; Q195-V197 PolarHBondContact O-N 3.46Å; V197-N200 PolarHBondContact O-N 2.86Å; V197-R201 PolarHBondContact O-N 3.03Å; V197-R201 VanDerWaalsContact O-N 3.11Å
198	V	97.9	Very high	96.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-66.5	-42.8	178.9	66.8	0	0	0	0	111.7	L182 Y192 S194 Q195 N200 R201 F202 L410 K411	L182-V198 HydrophobicContact CD1-CG2 3.82Å; L182-V198 HydrophobicContact CD2-CG2 4.42Å; Y192-V198 HydrophobicContact CD1-CB 4.25Å; Y192-V198 HydrophobicContact CD1-CG2 4.4Å; Y192-V198 HydrophobicContact CG-CB 4.17Å; Y192-V198 HydrophobicContact CG-CG2 4.24Å; S194-V198 PolarHBondContact O-N 3.37Å; Q195-V198 VanDerWaalsContact O-CG1 3.29Å; Q195-V198 WeakPolarHBondContact O-CG1 3.42Å; Q195-V198 PolarHBondContact O-N 3.13Å; V198-N200 PolarHBondContact O-N 3.41Å; V198-R201 PolarHBondContact O-N 3.43Å; V198-F202 VanDerWaalsContact O-CB 3.3Å; V198-F202 WeakPolarHBondContact O-CB 3.28Å; V198-F202 PolarHBondContact O-N 2.97Å; V198-L410 HydrophobicContact CG1-CD2 4.42Å; V198-L410 HydrophobicContact CG2-CD2 4.09Å; V198-K411 HydrophobicContact CG1-CD 4.3Å; V198-K411 HydrophobicContact CG1-CG 4.26Å
199	W	97.9	Very high	96.1	Very high	20 Å²	20	43.8 Å²	43.8	8%	0.076	25%	0.245	C	C	.	.	H	α-helix	trans	-63.6	-41.7	177.5	-89.4	101.8	0	0	0	112.4	Q195 R201 F202 E203 R322 L410	Q195-W199 WeakPolarHBondContact O-CB 3.47Å; Q195-W199 VanDerWaalsContact O-CD1 3.26Å; Q195-W199 PolarHBondContact O-N 2.85Å; W199-R201 VanDerWaalsContact C-N 3.28Å; W199-R201 PolarHBondContact O-N 2.71Å; W199-F202 AromaticContact CE3-CD1 3.8Å; W199-F202 HydrophobicContact CE3-CD1 3.8Å; W199-F202 HydrophobicContact CE3-CE1 4.48Å; W199-F202 HydrophobicContact CH2-CD1 4.4Å; W199-F202 HydrophobicContact CH2-CE1 4.3Å; W199-F202 AromaticContact CZ3-CD1 3.71Å; W199-F202 HydrophobicContact CZ3-CD1 3.71Å; W199-F202 AromaticContact CZ3-CE1 3.94Å; W199-F202 HydrophobicContact CZ3-CE1 3.94Å; W199-F202 WeakPolarHBondContact O-CB 3.34Å; W199-F202 PolarHBondContact O-N 3.41Å; W199-E203 HydrophobicContact CE3-CG 4.49Å; W199-E203 WeakPolarHBondContact O-CG 3.06Å; W199-E203 PolarHBondContact O-N 3.47Å; W199-R322 HydrophobicContact CD2-CB 3.7Å; W199-R322 HydrophobicContact CD2-CG 3.7Å; W199-R322 HydrophobicContact CE3-CB 3.65Å; W199-R322 HydrophobicContact CE3-CG 4.19Å; W199-R322 HydrophobicContact CG-CB 4.25Å; W199-R322 HydrophobicContact CG-CG 3.88Å; W199-R322 HydrophobicContact CH2-CB 4.28Å; W199-R322 HydrophobicContact CZ2-CB 4.31Å; W199-R322 HydrophobicContact CZ2-CG 4.29Å; W199-R322 HydrophobicContact CZ3-CB 3.95Å; W199-L410 HydrophobicContact CH2-CD1 4.27Å; W199-L410 HydrophobicContact CZ2-CD1 3.78Å
200	N	95.9	Very high	96.2	Very high	109 Å²	109	46.2 Å²	46.2	58%	0.583	25%	0.252	S	S	*	.	H	α-helix	trans	-61	-39	174.9	-74.6	-25.3	0	0	0	111.9	D196 V197 V198 A204	D196-N200 WeakPolarHBondContact O-CB 3.28Å; D196-N200 PolarHBondContact O-N 3.41Å; D196-N200 PolarHBondContact O-ND2 3.11Å; D196-N200 VanDerWaalsContact O-ND2 3.14Å; V197-N200 PolarHBondContact O-N 2.86Å; V198-N200 PolarHBondContact O-N 3.41Å; N200-A204 VanDerWaalsContact O-CB 3.29Å; N200-A204 WeakPolarHBondContact O-CB 3.3Å; N200-A204 PolarHBondContact O-N 2.99Å; N200-A204 VanDerWaalsContact O-N 3.16Å
201	R	96.2	Very high	95.9	Very high	58 Å²	58	41.8 Å²	41.8	22%	0.219	23%	0.227	C	C	.	.	H	α-helix	trans	-69.6	-38.7	175.7	-177.7	55.5	174.6	-179.3	-9.5	111.9	G178 N179 L182 Y192 V197 V198 W199 A204 A205	G178-R201 PolarHBondContact O-NH2 3.41Å; N179-R201 VanDerWaalsContact CA-NH2 3.34Å; N179-R201 PolarHBondContact OD1-NH1 2.8Å; N179-R201 PolarHBondContact OD1-NH2 2.88Å; L182-R201 HydrophobicContact CD2-CB 3.94Å; L182-R201 HydrophobicContact CD2-CG 3.58Å; Y192-R201 HydrophobicContact CE1-CB 4.12Å; Y192-R201 HydrophobicContact CE1-CG 4.02Å; V197-R201 PolarHBondContact O-N 3.03Å; V197-R201 VanDerWaalsContact O-N 3.11Å; V198-R201 PolarHBondContact O-N 3.43Å; W199-R201 VanDerWaalsContact C-N 3.28Å; W199-R201 PolarHBondContact O-N 2.71Å; R201-A204 PolarHBondContact O-N 2.68Å; R201-A205 PolarHBondContact O-N 2.93Å
202	F	97.3	Very high	95.9	Very high	7 Å²	7	38.6 Å²	38.6	3%	0.031	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-51.3	-179.5	-172.1	-129.7	0	0	0	111.7	L182 V198 W199 A204 A205 F206 L410 D437 M440 F441	L182-F202 HydrophobicContact CD1-CB 4.13Å; L182-F202 HydrophobicContact CD1-CD2 3.6Å; L182-F202 HydrophobicContact CD1-CE2 4.29Å; L182-F202 HydrophobicContact CD1-CG 4.15Å; L182-F202 HydrophobicContact CD2-CB 4.1Å; L182-F202 HydrophobicContact CD2-CD2 4.41Å; L182-F202 HydrophobicContact CG-CB 4.49Å; L182-F202 HydrophobicContact CG-CD2 3.97Å; V198-F202 VanDerWaalsContact O-CB 3.3Å; V198-F202 WeakPolarHBondContact O-CB 3.28Å; V198-F202 PolarHBondContact O-N 2.97Å; W199-F202 AromaticContact CE3-CD1 3.8Å; W199-F202 HydrophobicContact CE3-CD1 3.8Å; W199-F202 HydrophobicContact CE3-CE1 4.48Å; W199-F202 HydrophobicContact CH2-CD1 4.4Å; W199-F202 HydrophobicContact CH2-CE1 4.3Å; W199-F202 AromaticContact CZ3-CD1 3.71Å; W199-F202 HydrophobicContact CZ3-CD1 3.71Å; W199-F202 AromaticContact CZ3-CE1 3.94Å; W199-F202 HydrophobicContact CZ3-CE1 3.94Å; W199-F202 WeakPolarHBondContact O-CB 3.34Å; W199-F202 PolarHBondContact O-N 3.41Å; F202-A204 VanDerWaalsContact C-N 3.29Å; F202-A204 PolarHBondContact O-N 3.05Å; F202-A205 WeakPolarHBondContact O-CB 3.45Å; F202-A205 PolarHBondContact O-N 3.12Å; F202-F206 HydrophobicContact CD1-CE2 4.23Å; F202-F206 HydrophobicContact CD2-CE2 4.14Å; F202-F206 AromaticContact CE1-CE2 3.81Å; F202-F206 HydrophobicContact CE1-CE2 3.81Å; F202-F206 AromaticContact CE2-CE2 3.72Å; F202-F206 HydrophobicContact CE2-CE2 3.72Å; F202-F206 HydrophobicContact CE2-CZ 4.43Å; F202-F206 HydrophobicContact CG-CE2 4.39Å; F202-F206 AromaticContact CZ-CE2 3.56Å; F202-F206 HydrophobicContact CZ-CE2 3.56Å; F202-F206 HydrophobicContact CZ-CZ 4.21Å; F202-F206 WeakPolarHBondContact O-CD2 3.31Å; F202-F206 PolarHBondContact O-N 3.39Å; F202-L410 HydrophobicContact CD1-CD2 4.29Å; F202-L410 HydrophobicContact CE1-CD1 4.47Å; F202-L410 HydrophobicContact CG-CD2 4.36Å; F202-D437 HydrophobicContact CE2-CB 4.12Å; F202-D437 HydrophobicContact CZ-CB 4.01Å; F202-D437 WeakPolarHBondContact CZ-OD2 3.37Å; F202-M440 HydrophobicContact CD2-CB 4.24Å; F202-M440 HydrophobicContact CD2-CG 4.25Å; F202-M440 HydrophobicContact CE2-CB 3.69Å; F202-M440 HydrophobicContact CE2-CG 3.71Å; F202-F441 AromaticContact CE2-CE1 3.94Å; F202-F441 HydrophobicContact CE2-CE1 3.94Å; F202-F441 HydrophobicContact CE2-CZ 4.28Å; F202-F441 HydrophobicContact CZ-CE1 4.38Å; F202-F441 HydrophobicContact CZ-CZ 4.31Å
203	E	95.5	Very high	95.9	Very high	74 Å²	74	37.7 Å²	37.7	35%	0.346	21%	0.208	S	C	.	.	H	α-helix	trans	-60.8	-37.9	174.4	-68.9	-70.7	167.6	0	0	111.9	W199 A205 F206 G207 H288	W199-E203 HydrophobicContact CE3-CG 4.49Å; W199-E203 WeakPolarHBondContact O-CG 3.06Å; W199-E203 PolarHBondContact O-N 3.47Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.48Å; E203-F206 PolarHBondContact O-N 3.49Å; E203-G207 PolarHBondContact O-N 3.06Å; E203-H288 IonicContact OE1-NE2 3.71Å
204	A	94.5	Very high	95.9	Very high	29 Å²	29	33.6 Å²	33.6	24%	0.24	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-32.4	175.5	0	0	0	0	0	112.9	N200 R201 F202 G207 A208	N200-A204 VanDerWaalsContact O-CB 3.29Å; N200-A204 WeakPolarHBondContact O-CB 3.3Å; N200-A204 PolarHBondContact O-N 2.99Å; N200-A204 VanDerWaalsContact O-N 3.16Å; R201-A204 PolarHBondContact O-N 2.68Å; F202-A204 VanDerWaalsContact C-N 3.29Å; F202-A204 PolarHBondContact O-N 3.05Å; A204-G207 PolarHBondContact O-N 3.36Å; A204-A208 PolarHBondContact O-N 2.94Å
205	A	95.8	Very high	96	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-70	-43.2	175.9	0	0	0	0	0	111.5	N179 R201 F202 E203 G207 A208 L209 M440	N179-A205 WeakPolarHBondContact O-CA 3.42Å; R201-A205 PolarHBondContact O-N 2.93Å; F202-A205 WeakPolarHBondContact O-CB 3.45Å; F202-A205 PolarHBondContact O-N 3.12Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.48Å; A205-G207 VanDerWaalsContact C-N 3.31Å; A205-G207 PolarHBondContact O-N 2.92Å; A205-A208 WeakPolarHBondContact O-CB 3.46Å; A205-A208 PolarHBondContact O-N 2.64Å; A205-A208 VanDerWaalsContact O-N 3.14Å; A205-L209 WeakPolarHBondContact O-CG 3.3Å; A205-L209 PolarHBondContact O-N 3.13Å; A205-M440 HydrophobicContact CB-CE 3.95Å; A205-M440 HydrophobicContact CB-SD 3.69Å
206	F	95.9	Very high	96	Very high	41 Å²	41	30.9 Å²	30.9	18%	0.18	16%	0.164	C	C	.	.	H	α-helix	trans	-59.4	-42.4	170.6	-80	-73.5	0	0	0	112.3	F110 A111 F202 E203 A208 L209 W210 D437 M440	F110-F206 HydrophobicContact CB-CD1 4.3Å; F110-F206 HydrophobicContact CB-CE1 4.41Å; A111-F206 HydrophobicContact CB-CE1 3.95Å; A111-F206 HydrophobicContact CB-CZ 3.91Å; F202-F206 HydrophobicContact CD1-CE2 4.23Å; F202-F206 HydrophobicContact CD2-CE2 4.14Å; F202-F206 AromaticContact CE1-CE2 3.81Å; F202-F206 HydrophobicContact CE1-CE2 3.81Å; F202-F206 AromaticContact CE2-CE2 3.72Å; F202-F206 HydrophobicContact CE2-CE2 3.72Å; F202-F206 HydrophobicContact CE2-CZ 4.43Å; F202-F206 HydrophobicContact CG-CE2 4.39Å; F202-F206 AromaticContact CZ-CE2 3.56Å; F202-F206 HydrophobicContact CZ-CE2 3.56Å; F202-F206 HydrophobicContact CZ-CZ 4.21Å; F202-F206 WeakPolarHBondContact O-CD2 3.31Å; F202-F206 PolarHBondContact O-N 3.39Å; E203-F206 PolarHBondContact O-N 3.49Å; F206-A208 VanDerWaalsContact C-N 3.26Å; F206-A208 PolarHBondContact O-N 3.26Å; F206-L209 PolarHBondContact O-N 3.15Å; F206-W210 PolarHBondContact O-N 3.34Å; F206-D437 WeakPolarHBondContact CZ-OD1 3.48Å; F206-M440 HydrophobicContact CD1-CE 3.9Å; F206-M440 HydrophobicContact CD2-CE 3.99Å; F206-M440 HydrophobicContact CE1-CE 3.93Å; F206-M440 HydrophobicContact CE2-CE 4.03Å; F206-M440 HydrophobicContact CG-CE 3.93Å; F206-M440 HydrophobicContact CZ-CE 4Å; F206-M440 HydrophobicContact CZ-CG 4.5Å
207	G	93.9	Very high	96	Very high	42 Å²	42	30 Å²	30	43%	0.433	16%	0.163	S	C	.	.	H	α-helix	trans	-59.8	-35.4	174.9	0	0	0	0	0	113.3	E203 A204 A205	E203-G207 PolarHBondContact O-N 3.06Å; A204-G207 PolarHBondContact O-N 3.36Å; A205-G207 VanDerWaalsContact C-N 3.31Å; A205-G207 PolarHBondContact O-N 2.92Å
208	A	94.2	Very high	96.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-70	-44.1	173.8	0	0	0	0	0	111.7	V138 F140 L180 A204 A205 F206 W210	V138-A208 HydrophobicContact CG2-CB 4.02Å; V138-A208 WeakPolarHBondContact O-CA 3.18Å; V138-A208 VanDerWaalsContact O-CB 3.31Å; V138-A208 WeakPolarHBondContact O-CB 3.25Å; F140-A208 WeakPolarHBondContact CD2-O 3.47Å; L180-A208 HydrophobicContact CD2-CB 3.68Å; A204-A208 PolarHBondContact O-N 2.94Å; A205-A208 WeakPolarHBondContact O-CB 3.46Å; A205-A208 PolarHBondContact O-N 2.64Å; A205-A208 VanDerWaalsContact O-N 3.14Å; F206-A208 VanDerWaalsContact C-N 3.26Å; F206-A208 PolarHBondContact O-N 3.26Å; A208-W210 VanDerWaalsContact C-N 3.31Å; A208-W210 PolarHBondContact O-N 2.87Å
209	L	95.4	Very high	96.2	Very high	3 Å²	3	27.3 Å²	27.3	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-65.8	-33	179.9	-70.2	174.2	0	0	0	113.4	F110 L118 L180 A205 F206 G211 L212 V213 M440	F110-L209 WeakPolarHBondContact O-CD1 3.26Å; L118-L209 HydrophobicContact CD1-CD2 3.47Å; L118-L209 VanDerWaalsContact CD1-CD2 3.47Å; L118-L209 HydrophobicContact CD2-CD2 4.34Å; L118-L209 HydrophobicContact CG-CD2 4.46Å; L180-L209 HydrophobicContact CB-CD2 4.1Å; L180-L209 HydrophobicContact CD1-CD2 4Å; L180-L209 HydrophobicContact CD2-CD2 3.69Å; L180-L209 HydrophobicContact CD2-CG 4.04Å; L180-L209 HydrophobicContact CG-CD2 4.11Å; A205-L209 WeakPolarHBondContact O-CG 3.3Å; A205-L209 PolarHBondContact O-N 3.13Å; F206-L209 PolarHBondContact O-N 3.15Å; L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 2.94Å; L209-L212 PolarHBondContact O-N 2.87Å; L209-V213 PolarHBondContact O-N 2.96Å; L209-M440 HydrophobicContact CD1-CE 3.21Å; L209-M440 HydrophobicContact CD1-SD 4.44Å; L209-M440 HydrophobicContact CG-CE 4.41Å
210	W	95.1	Very high	96.2	Very high	110 Å²	110	30.2 Å²	30.2	42%	0.417	16%	0.157	S	C	.	.	H	α-helix	trans	-47.2	-54.2	-176.4	-173.4	-82.8	0	0	0	112.5	F110 F206 A208 L212 V213 T214 L243 P245	F110-W210 HydrophobicContact CD2-CE3 4.44Å; F110-W210 HydrophobicContact CE2-CE3 4.04Å; F110-W210 HydrophobicContact CE2-CZ3 4.25Å; F206-W210 PolarHBondContact O-N 3.34Å; A208-W210 VanDerWaalsContact C-N 3.31Å; A208-W210 PolarHBondContact O-N 2.87Å; W210-L212 VanDerWaalsContact C-N 3.29Å; W210-L212 PolarHBondContact O-N 3.42Å; W210-V213 PolarHBondContact O-N 3.01Å; W210-T214 HydrophobicContact CD2-CG2 4.21Å; W210-T214 HydrophobicContact CG-CG2 4.35Å; W210-T214 WeakPolarHBondContact O-CB 3.27Å; W210-T214 VanDerWaalsContact O-CG2 3.3Å; W210-T214 WeakPolarHBondContact O-CG2 3.25Å; W210-T214 PolarHBondContact O-N 3.34Å; W210-T214 PolarHBondContact O-OG1 2.86Å; W210-L243 HydrophobicContact CZ3-CD1 3.84Å; W210-P245 HydrophobicContact CH2-CB 3.46Å; W210-P245 VanDerWaalsContact CH2-CB 3.46Å; W210-P245 HydrophobicContact CH2-CG 4.39Å; W210-P245 HydrophobicContact CZ2-CB 3.48Å; W210-P245 VanDerWaalsContact CZ2-CB 3.48Å; W210-P245 HydrophobicContact CZ3-CB 4.17Å
211	G	90	Very high	96.3	Very high	11 Å²	11	28.5 Å²	28.5	11%	0.113	15%	0.147	C	C	.	.	H	α-helix	trans	-68.8	-24.9	-176.4	0	0	0	0	0	114.5	F140 L209 Y248	F140-G211 VanDerWaalsContact O-CA 3.27Å; F140-G211 WeakPolarHBondContact O-CA 3.09Å; L209-G211 VanDerWaalsContact C-N 3.32Å; L209-G211 PolarHBondContact O-N 2.94Å; G211-Y248 PolarHBondContact O-OH 3.46Å
212	L	94.4	Very high	96.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-76.7	-52.3	174	-74.1	174	0	0	0	111.3	T123 F140 F142 L180 L209 W210 V218	T123-L212 HydrophobicContact CG2-CD1 3.85Å; T123-L212 HydrophobicContact CG2-CD2 3.97Å; F140-L212 HydrophobicContact CB-CD2 3.49Å; F140-L212 VanDerWaalsContact CB-CD2 3.49Å; F140-L212 HydrophobicContact CB-CG 3.56Å; F140-L212 HydrophobicContact CD1-CD1 4.38Å; F140-L212 HydrophobicContact CD1-CD2 3.71Å; F140-L212 HydrophobicContact CD1-CG 4.11Å; F140-L212 HydrophobicContact CD2-CD1 3.56Å; F140-L212 HydrophobicContact CD2-CD2 4Å; F140-L212 HydrophobicContact CD2-CG 3.44Å; F140-L212 VanDerWaalsContact CD2-CG 3.44Å; F140-L212 HydrophobicContact CE1-CD2 4.45Å; F140-L212 HydrophobicContact CE2-CD1 3.71Å; F140-L212 HydrophobicContact CE2-CG 4.12Å; F140-L212 HydrophobicContact CG-CD1 3.92Å; F140-L212 HydrophobicContact CG-CD2 3.45Å; F140-L212 VanDerWaalsContact CG-CD2 3.45Å; F140-L212 HydrophobicContact CG-CG 3.42Å; F140-L212 VanDerWaalsContact CG-CG 3.42Å; F140-L212 HydrophobicContact CZ-CD1 4.2Å; F142-L212 HydrophobicContact CE2-CD2 3.97Å; F142-L212 HydrophobicContact CZ-CD2 4.35Å; L180-L212 HydrophobicContact CD1-CD1 4.18Å; L209-L212 PolarHBondContact O-N 2.87Å; W210-L212 VanDerWaalsContact C-N 3.29Å; W210-L212 PolarHBondContact O-N 3.42Å; L212-V218 WeakPolarHBondContact O-CB 3.34Å; L212-V218 VanDerWaalsContact O-CG1 3.31Å; L212-V218 WeakPolarHBondContact O-CG1 3.15Å
213	V	97.4	Very high	96.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-81.8	-27.2	-167.3	-170.2	0	0	0	0	112.2	F110 L118 L209 W210 F215 F219 Y222	F110-V213 HydrophobicContact CD1-CB 3.72Å; F110-V213 HydrophobicContact CD1-CG1 3.39Å; F110-V213 HydrophobicContact CD1-CG2 4.25Å; F110-V213 HydrophobicContact CE1-CB 3.82Å; F110-V213 HydrophobicContact CE1-CG1 3.36Å; F110-V213 HydrophobicContact CG-CB 4.4Å; F110-V213 HydrophobicContact CG-CG1 4.47Å; F110-V213 HydrophobicContact CZ-CG1 4.4Å; L118-V213 HydrophobicContact CD2-CG2 4.01Å; L209-V213 PolarHBondContact O-N 2.96Å; W210-V213 PolarHBondContact O-N 3.01Å; V213-F215 PolarHBondContact O-N 3.24Å; V213-F219 HydrophobicContact CG1-CD2 4.45Å; V213-F219 WeakPolarHBondContact O-CA 3.2Å; V213-F219 WeakPolarHBondContact O-CB 3.41Å; V213-F219 PolarHBondContact O-N 3.15Å; V213-Y222 HydrophobicContact CG1-CD1 3.76Å; V213-Y222 HydrophobicContact CG1-CD2 3.88Å; V213-Y222 HydrophobicContact CG1-CE1 4.34Å; V213-Y222 HydrophobicContact CG1-CE2 4.41Å; V213-Y222 HydrophobicContact CG1-CG 3.53Å; V213-Y222 HydrophobicContact CG2-CD2 3.87Å; V213-Y222 HydrophobicContact CG2-CE2 3.99Å; V213-Y222 HydrophobicContact CG2-CG 4.39Å
214	T	97.8	Very high	96.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.012	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	1.4	178.9	57.9	0	0	0	0	114.5	F110 W210 P245 V247 Y248	F110-T214 HydrophobicContact CE2-CG2 4.17Å; F110-T214 HydrophobicContact CZ-CG2 3.88Å; W210-T214 HydrophobicContact CD2-CG2 4.21Å; W210-T214 HydrophobicContact CG-CG2 4.35Å; W210-T214 WeakPolarHBondContact O-CB 3.27Å; W210-T214 VanDerWaalsContact O-CG2 3.3Å; W210-T214 WeakPolarHBondContact O-CG2 3.25Å; W210-T214 PolarHBondContact O-N 3.34Å; W210-T214 PolarHBondContact O-OG1 2.86Å; T214-P245 HydrophobicContact CG2-CB 3.85Å; T214-P245 HydrophobicContact CG2-CG 3.62Å; T214-V247 CarbonylContact O-C 3.59Å; T214-V247 WeakPolarHBondContact O-CA 3.37Å; T214-V247 WeakPolarHBondContact O-CG1 3.44Å; T214-Y248 WeakPolarHBondContact O-CD1 3.4Å; T214-Y248 PolarHBondContact O-N 2.88Å; T214-Y248 WeakPolarHBondContact OG1-CE1 3.22Å
215	F	98.2	Very high	96.9	Very high	18 Å²	18	24.7 Å²	24.7	8%	0.079	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-77.3	123.6	168.1	174.4	-132.1	0	0	0	110.3	F142 V213 P217 V218 F219 Y248 L250	F142-F215 HydrophobicContact CB-CB 4.17Å; F142-F215 HydrophobicContact CB-CD1 3.72Å; F142-F215 HydrophobicContact CB-CD2 3.75Å; F142-F215 HydrophobicContact CB-CE1 3.99Å; F142-F215 HydrophobicContact CB-CE2 4.02Å; F142-F215 HydrophobicContact CB-CG 3.6Å; F142-F215 HydrophobicContact CB-CZ 4.14Å; F142-F215 AromaticContact CD1-CD1 3.66Å; F142-F215 HydrophobicContact CD1-CD1 3.66Å; F142-F215 AromaticContact CD1-CE1 3.7Å; F142-F215 HydrophobicContact CD1-CE1 3.7Å; F142-F215 HydrophobicContact CD1-CG 4.4Å; F142-F215 HydrophobicContact CD1-CZ 4.46Å; F142-F215 HydrophobicContact CD2-CB 3.48Å; F142-F215 VanDerWaalsContact CD2-CB 3.48Å; F142-F215 AromaticContact CD2-CD1 3.42Å; F142-F215 HydrophobicContact CD2-CD1 3.42Å; F142-F215 VanDerWaalsContact CD2-CD1 3.42Å; F142-F215 HydrophobicContact CD2-CE1 4.3Å; F142-F215 AromaticContact CD2-CG 3.58Å; F142-F215 HydrophobicContact CD2-CG 3.58Å; F142-F215 HydrophobicContact CE1-CD1 4.07Å; F142-F215 HydrophobicContact CE1-CE1 4.22Å; F142-F215 HydrophobicContact CE2-CB 4.13Å; F142-F215 AromaticContact CE2-CD1 3.85Å; F142-F215 HydrophobicContact CE2-CD1 3.85Å; F142-F215 HydrophobicContact CE2-CG 4.33Å; F142-F215 HydrophobicContact CG-CB 4.03Å; F142-F215 AromaticContact CG-CD1 3.29Å; F142-F215 HydrophobicContact CG-CD1 3.29Å; F142-F215 HydrophobicContact CG-CD2 4.25Å; F142-F215 AromaticContact CG-CE1 3.74Å; F142-F215 HydrophobicContact CG-CE1 3.74Å; F142-F215 AromaticContact CG-CG 3.61Å; F142-F215 HydrophobicContact CG-CG 3.61Å; F142-F215 HydrophobicContact CG-CZ 4.38Å; F142-F215 HydrophobicContact CZ-CD1 4.15Å; V213-F215 PolarHBondContact O-N 3.24Å; F215-P217 HydrophobicContact CD1-CG 4.38Å; F215-P217 HydrophobicContact CE1-CB 4.08Å; F215-P217 HydrophobicContact CE1-CG 3.75Å; F215-P217 VanDerWaalsContact CE2-CD 3.45Å; F215-P217 HydrophobicContact CE2-CG 4.02Å; F215-P217 HydrophobicContact CZ-CB 4.37Å; F215-P217 VanDerWaalsContact CZ-CD 3.44Å; F215-P217 HydrophobicContact CZ-CG 3.54Å; F215-P217 VanDerWaalsContact O-N 3.16Å; F215-V218 HydrophobicContact CB-CB 4.44Å; F215-V218 HydrophobicContact CD1-CB 4.28Å; F215-V218 HydrophobicContact CD1-CG2 3.7Å; F215-V218 HydrophobicContact CE1-CG2 4.44Å; F215-V218 CarbonylContact O-C 3.53Å; F215-V218 WeakPolarHBondContact O-CA 3.32Å; F215-V218 PolarHBondContact O-N 2.99Å; F215-F219 PolarHBondContact O-N 3.26Å; F215-Y248 HydrophobicContact CB-CE1 4.17Å; F215-Y248 HydrophobicContact CB-CE2 4.08Å; F215-Y248 HydrophobicContact CD2-CD2 4.3Å; F215-Y248 AromaticContact CD2-CE2 3.95Å; F215-Y248 HydrophobicContact CD2-CE2 3.95Å; F215-Y248 HydrophobicContact CG-CE2 4.39Å; F215-L250 HydrophobicContact CE2-CB 4.06Å; F215-L250 HydrophobicContact CE2-CD1 4.35Å; F215-L250 HydrophobicContact CZ-CB 4.42Å; F215-L250 HydrophobicContact CZ-CD1 4.31Å
216	A	98.4	Very high	97	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-53.8	-40.6	-163.7	0	0	0	0	0	116.2	R220 V247 Y248 E249 W259	A216-R220 WeakPolarHBondContact O-CG 3.48Å; A216-R220 PolarHBondContact O-N 3.44Å; A216-R220 PolarHBondContact O-NH1 3.01Å; A216-V247 VanDerWaalsContact CA-CG1 3.42Å; A216-V247 HydrophobicContact CB-CG1 3.54Å; A216-Y248 WeakPolarHBondContact CB-O 3.22Å; A216-Y248 PolarHBondContact N-O 3.3Å; A216-E249 WeakPolarHBondContact CB-OE1 3.45Å; A216-E249 WeakPolarHBondContact CB-OE2 3.42Å; A216-W259 HydrophobicContact CB-CH2 4.19Å
217	P	98.3	Very high	97.1	Very high	48 Å²	48	22.8 Å²	22.8	31%	0.312	12%	0.119	S	C	.	.	H	α-helix	trans	-67.2	-39.2	172.8	-23.8	36.5	0	0	0	113.3	R125 F215 D221	R125-P217 PolarHBondContact NH1-O 2.63Å; F215-P217 HydrophobicContact CD1-CG 4.38Å; F215-P217 HydrophobicContact CE1-CB 4.08Å; F215-P217 HydrophobicContact CE1-CG 3.75Å; F215-P217 VanDerWaalsContact CE2-CD 3.45Å; F215-P217 HydrophobicContact CE2-CG 4.02Å; F215-P217 HydrophobicContact CZ-CB 4.37Å; F215-P217 VanDerWaalsContact CZ-CD 3.44Å; F215-P217 HydrophobicContact CZ-CG 3.54Å; F215-P217 VanDerWaalsContact O-N 3.16Å; P217-D221 PolarHBondContact O-N 3.09Å
218	V	98.5	Very high	97.4	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-70.5	-38.8	177.1	175.7	0	0	0	0	110.5	W117 A122 F142 L212 F215 R220 D221 Y222	W117-V218 HydrophobicContact CH2-CG1 4.48Å; A122-V218 HydrophobicContact CB-CG1 4Å; A122-V218 HydrophobicContact CB-CG2 4.44Å; F142-V218 HydrophobicContact CE2-CG2 4.05Å; F142-V218 HydrophobicContact CZ-CG2 3.97Å; L212-V218 WeakPolarHBondContact O-CB 3.34Å; L212-V218 VanDerWaalsContact O-CG1 3.31Å; L212-V218 WeakPolarHBondContact O-CG1 3.15Å; F215-V218 HydrophobicContact CB-CB 4.44Å; F215-V218 HydrophobicContact CD1-CB 4.28Å; F215-V218 HydrophobicContact CD1-CG2 3.7Å; F215-V218 HydrophobicContact CE1-CG2 4.44Å; F215-V218 CarbonylContact O-C 3.53Å; F215-V218 WeakPolarHBondContact O-CA 3.32Å; F215-V218 PolarHBondContact O-N 2.99Å; V218-R220 VanDerWaalsContact C-N 3.33Å; V218-R220 PolarHBondContact O-N 3.4Å; V218-D221 PolarHBondContact O-N 2.8Å; V218-Y222 WeakPolarHBondContact O-CB 3.47Å; V218-Y222 PolarHBondContact O-N 3.18Å
219	F	98.6	Very high	97.6	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-54.5	-48.9	176.7	-178.4	-103.4	0	0	0	111.9	F110 V213 F215 Y222 Y223 V247 W259 T260 T263 Y264	F110-F219 HydrophobicContact CE1-CD2 4.32Å; F110-F219 HydrophobicContact CE1-CE2 4.26Å; V213-F219 HydrophobicContact CG1-CD2 4.45Å; V213-F219 WeakPolarHBondContact O-CA 3.2Å; V213-F219 WeakPolarHBondContact O-CB 3.41Å; V213-F219 PolarHBondContact O-N 3.15Å; F215-F219 PolarHBondContact O-N 3.26Å; F219-Y222 PolarHBondContact O-N 3.47Å; F219-Y223 PolarHBondContact O-N 3.28Å; F219-Y223 VanDerWaalsContact O-N 3.09Å; F219-V247 HydrophobicContact CB-CG1 4.26Å; F219-V247 HydrophobicContact CD1-CG2 4.2Å; F219-V247 HydrophobicContact CD2-CG2 4.05Å; F219-V247 HydrophobicContact CE1-CG2 4.41Å; F219-V247 HydrophobicContact CE2-CG2 4.27Å; F219-V247 HydrophobicContact CG-CG1 4.42Å; F219-V247 HydrophobicContact CG-CG2 4.01Å; F219-V247 HydrophobicContact CZ-CG2 4.45Å; F219-W259 HydrophobicContact CD1-CZ3 4.45Å; F219-T260 HydrophobicContact CE1-CG2 4.13Å; F219-T260 HydrophobicContact CE2-CG2 4.13Å; F219-T260 HydrophobicContact CZ-CG2 3.53Å; F219-T263 HydrophobicContact CD1-CG2 3.97Å; F219-T263 HydrophobicContact CE1-CG2 3.77Å; F219-Y264 HydrophobicContact CE2-CE1 4.28Å; F219-Y264 HydrophobicContact CE2-CE2 4.21Å; F219-Y264 AromaticContact CE2-CZ 3.77Å; F219-Y264 HydrophobicContact CZ-CD1 4.27Å; F219-Y264 HydrophobicContact CZ-CD2 4.08Å; F219-Y264 AromaticContact CZ-CE1 3.78Å; F219-Y264 HydrophobicContact CZ-CE1 3.78Å; F219-Y264 AromaticContact CZ-CE2 3.6Å; F219-Y264 HydrophobicContact CZ-CE2 3.6Å; F219-Y264 HydrophobicContact CZ-CG 4.41Å; F219-Y264 AromaticContact CZ-CZ 3.43Å; F219-Y264 VanDerWaalsContact CZ-CZ 3.43Å
220	R	98.7	Very high	97.7	Very high	81 Å²	81	25.3 Å²	25.3	31%	0.306	12%	0.122	S	C	.	.	H	α-helix	trans	-62.4	-50.1	179.2	-68.2	178	-179.4	95.5	-13.6	111.6	A216 V218 Y222 Y223 M224 T263 L267	A216-R220 WeakPolarHBondContact O-CG 3.48Å; A216-R220 PolarHBondContact O-N 3.44Å; A216-R220 PolarHBondContact O-NH1 3.01Å; V218-R220 VanDerWaalsContact C-N 3.33Å; V218-R220 PolarHBondContact O-N 3.4Å; R220-Y222 VanDerWaalsContact C-N 3.33Å; R220-Y222 PolarHBondContact O-N 2.93Å; R220-Y223 PolarHBondContact O-N 2.83Å; R220-M224 WeakPolarHBondContact O-CG 3.5Å; R220-M224 PolarHBondContact O-N 2.86Å; R220-T263 HydrophobicContact CG-CG2 3.93Å; R220-L267 HydrophobicContact CB-CD1 4.02Å; R220-L267 HydrophobicContact CG-CD1 4.14Å
221	D	98.7	Very high	97.9	Very high	73 Å²	73	23 Å²	23	39%	0.39	11%	0.113	S	C	.	.	H	α-helix	trans	-67.8	-35.5	-178.5	-64.9	-17.3	0	0	0	112.1	W117 R125 P217 V218 M224 E225	W117-D221 HydrophobicContact CH2-CB 4.03Å; W117-D221 HydrophobicContact CZ2-CB 3.88Å; R125-D221 IonicContact CZ-OD2 3.56Å; R125-D221 IonicContact NH1-OD2 3.23Å; R125-D221 PolarHBondContact NH1-OD2 2.96Å; R125-D221 IonicContact NH2-OD2 2.94Å; R125-D221 PolarHBondContact NH2-OD2 2.83Å; P217-D221 PolarHBondContact O-N 3.09Å; V218-D221 PolarHBondContact O-N 2.8Å; D221-M224 PolarHBondContact O-N 3.2Å; D221-E225 VanDerWaalsContact O-CB 3.26Å; D221-E225 WeakPolarHBondContact O-CB 3.26Å; D221-E225 PolarHBondContact O-N 2.68Å
222	Y	98.7	Very high	98.3	Very high	2 Å²	2	26.4 Å²	26.4	1%	0.008	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-47	175.8	-179.8	-84.7	0	0	0	110.6	F110 A111 M112 V113 W117 L118 V213 V218 F219 R220 E225 A226	F110-Y222 VanDerWaalsContact CA-OH 3.25Å; F110-Y222 WeakPolarHBondContact CA-OH 3.28Å; F110-Y222 HydrophobicContact CD1-CE1 4.41Å; F110-Y222 PolarHBondContact O-OH 3.33Å; F110-Y222 VanDerWaalsContact O-OH 3.12Å; A111-Y222 PolarHBondContact N-OH 3.43Å; M112-Y222 HydrophobicContact CE-CE1 4.17Å; M112-Y222 PolarHBondContact N-OH 3.43Å; V113-Y222 HydrophobicContact CB-CD2 3.9Å; V113-Y222 HydrophobicContact CB-CE1 4.49Å; V113-Y222 HydrophobicContact CB-CE2 3.45Å; V113-Y222 VanDerWaalsContact CB-CE2 3.45Å; V113-Y222 HydrophobicContact CG1-CE2 4.38Å; V113-Y222 HydrophobicContact CG2-CD1 3.99Å; V113-Y222 HydrophobicContact CG2-CD2 3.68Å; V113-Y222 HydrophobicContact CG2-CE1 3.82Å; V113-Y222 HydrophobicContact CG2-CE2 3.55Å; V113-Y222 HydrophobicContact CG2-CG 3.9Å; V113-Y222 WeakPolarHBondContact CG2-O 3.27Å; V113-Y222 PolarHBondContact N-OH 3.09Å; W117-Y222 AromaticContact CZ3-CD2 4Å; W117-Y222 HydrophobicContact CZ3-CD2 4Å; L118-Y222 HydrophobicContact CD1-CE2 4.23Å; L118-Y222 HydrophobicContact CD2-CD2 3.92Å; L118-Y222 HydrophobicContact CD2-CE2 3.99Å; L118-Y222 HydrophobicContact CG-CE2 4.33Å; V213-Y222 HydrophobicContact CG1-CD1 3.76Å; V213-Y222 HydrophobicContact CG1-CD2 3.88Å; V213-Y222 HydrophobicContact CG1-CE1 4.34Å; V213-Y222 HydrophobicContact CG1-CE2 4.41Å; V213-Y222 HydrophobicContact CG1-CG 3.53Å; V213-Y222 HydrophobicContact CG2-CD2 3.87Å; V213-Y222 HydrophobicContact CG2-CE2 3.99Å; V213-Y222 HydrophobicContact CG2-CG 4.39Å; V218-Y222 WeakPolarHBondContact O-CB 3.47Å; V218-Y222 PolarHBondContact O-N 3.18Å; F219-Y222 PolarHBondContact O-N 3.47Å; R220-Y222 VanDerWaalsContact C-N 3.33Å; R220-Y222 PolarHBondContact O-N 2.93Å; Y222-E225 PolarHBondContact O-N 2.73Å; Y222-A226 PolarHBondContact O-N 2.9Å
223	Y	98.7	Very high	98.5	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-67.3	-42	179.2	-175.6	-121.3	0	0	0	112.5	M112 F219 R220 E225 A226 L227 L240 Y264 L267 T268 A281	M112-Y223 HydrophobicContact CE-CD2 4.17Å; F219-Y223 PolarHBondContact O-N 3.28Å; F219-Y223 VanDerWaalsContact O-N 3.09Å; R220-Y223 PolarHBondContact O-N 2.83Å; Y223-E225 VanDerWaalsContact C-N 3.31Å; Y223-E225 PolarHBondContact O-N 3.48Å; Y223-A226 WeakPolarHBondContact O-CB 3.2Å; Y223-A226 PolarHBondContact O-N 3.19Å; Y223-L227 HydrophobicContact CD1-CD1 4.14Å; Y223-L227 HydrophobicContact CE1-CD1 3.73Å; Y223-L227 HydrophobicContact CE1-CG 4.23Å; Y223-L227 HydrophobicContact CE2-CD2 4.23Å; Y223-L227 HydrophobicContact CE2-CG 4.3Å; Y223-L227 WeakPolarHBondContact O-CG 3.11Å; Y223-L227 PolarHBondContact O-N 3.12Å; Y223-L240 HydrophobicContact CD2-CD2 4.42Å; Y223-L240 HydrophobicContact CE2-CD2 3.67Å; Y223-Y264 AromaticContact CD1-CD1 3.6Å; Y223-Y264 HydrophobicContact CD1-CD1 3.6Å; Y223-Y264 HydrophobicContact CD1-CE1 4.19Å; Y223-Y264 AromaticContact CD2-CD1 3.5Å; Y223-Y264 HydrophobicContact CD2-CD1 3.5Å; Y223-Y264 VanDerWaalsContact CD2-CD1 3.5Å; Y223-Y264 AromaticContact CD2-CE1 3.36Å; Y223-Y264 HydrophobicContact CD2-CE1 3.36Å; Y223-Y264 AromaticContact CE1-CD1 3.66Å; Y223-Y264 HydrophobicContact CE1-CD1 3.66Å; Y223-Y264 WeakPolarHBondContact CE1-O 3.25Å; Y223-Y264 AromaticContact CE2-CD1 3.58Å; Y223-Y264 HydrophobicContact CE2-CD1 3.58Å; Y223-Y264 AromaticContact CE2-CE1 3.76Å; Y223-Y264 HydrophobicContact CE2-CE1 3.76Å; Y223-Y264 AromaticContact CG-CD1 3.48Å; Y223-Y264 HydrophobicContact CG-CD1 3.48Å; Y223-Y264 VanDerWaalsContact CG-CD1 3.48Å; Y223-Y264 AromaticContact CG-CE1 3.58Å; Y223-Y264 HydrophobicContact CG-CE1 3.58Å; Y223-Y264 AromaticContact CZ-CD1 3.64Å; Y223-L267 HydrophobicContact CD1-CB 3.76Å; Y223-L267 HydrophobicContact CD1-CD1 3.92Å; Y223-L267 HydrophobicContact CE1-CB 4.11Å; Y223-T268 PolarHBondContact OH-OG1 3.44Å; Y223-A281 WeakPolarHBondContact OH-CB 3.29Å
224	M	98.6	Very high	98.6	Very high	38 Å²	38	28.1 Å²	28.1	19%	0.187	15%	0.15	C	C	.	.	H	α-helix	trans	-61.5	-40.5	174.9	-72.4	-62.3	-73	0	0	112.1	R220 D221 L227 N228 L267 F271	R220-M224 WeakPolarHBondContact O-CG 3.5Å; R220-M224 PolarHBondContact O-N 2.86Å; D221-M224 PolarHBondContact O-N 3.2Å; M224-L227 PolarHBondContact O-N 3.45Å; M224-L227 HydrophobicContact SD-CD1 4.3Å; M224-N228 PolarHBondContact O-N 2.59Å; M224-N228 PolarHBondContact O-ND2 3.27Å; M224-L267 HydrophobicContact CG-CB 4.49Å; M224-L267 HydrophobicContact CG-CD1 4.4Å; M224-L267 HydrophobicContact CG-CD2 3.95Å; M224-L267 HydrophobicContact SD-CB 3.9Å; M224-L267 HydrophobicContact SD-CD2 4.03Å; M224-L267 HydrophobicContact SD-CG 4.45Å; M224-F271 HydrophobicContact CE-CB 4.41Å; M224-F271 HydrophobicContact CE-CD2 3.94Å; M224-F271 HydrophobicContact SD-CB 4.46Å; M224-F271 HydrophobicContact SD-CD2 4.42Å
225	E	98.7	Very high	98.7	Very high	48 Å²	48	28 Å²	28	22%	0.224	15%	0.149	C	C	.	.	H	α-helix	trans	-64.5	-40.4	174.4	-177.1	59.6	-158.3	0	0	111.7	V113 W117 D221 Y222 Y223 L227 N228 Q229	V113-E225 HydrophobicContact CG1-CB 4.28Å; V113-E225 HydrophobicContact CG1-CG 3.59Å; V113-E225 HydrophobicContact CG2-CB 4.15Å; V113-E225 HydrophobicContact CG2-CG 4.21Å; W117-E225 HydrophobicContact CD2-CG 4.18Å; W117-E225 HydrophobicContact CG-CG 4.01Å; W117-E225 HydrophobicContact CZ2-CB 4.45Å; D221-E225 VanDerWaalsContact O-CB 3.26Å; D221-E225 WeakPolarHBondContact O-CB 3.26Å; D221-E225 PolarHBondContact O-N 2.68Å; Y222-E225 PolarHBondContact O-N 2.73Å; Y223-E225 VanDerWaalsContact C-N 3.31Å; Y223-E225 PolarHBondContact O-N 3.48Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.45Å; E225-N228 WeakPolarHBondContact O-CB 3.35Å; E225-N228 PolarHBondContact O-N 2.88Å; E225-Q229 HydrophobicContact CG-CG 4.44Å; E225-Q229 WeakPolarHBondContact O-CG 3.36Å; E225-Q229 PolarHBondContact O-N 3.33Å; E225-Q229 WeakPolarHBondContact OE1-CG 3.41Å; E225-Q229 PolarHBondContact OE1-NE2 3.19Å
226	A	98.7	Very high	98.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-58	-48	174.2	0	0	0	0	0	111	M112 V113 Y222 Y223 N228 Q229 F230	M112-A226 HydrophobicContact CB-CB 3.7Å; M112-A226 HydrophobicContact CE-CB 3.74Å; M112-A226 HydrophobicContact CG-CB 4.46Å; M112-A226 HydrophobicContact SD-CB 3.94Å; V113-A226 HydrophobicContact CG2-CB 3.77Å; Y222-A226 PolarHBondContact O-N 2.9Å; Y223-A226 WeakPolarHBondContact O-CB 3.2Å; Y223-A226 PolarHBondContact O-N 3.19Å; A226-N228 VanDerWaalsContact C-N 3.33Å; A226-N228 PolarHBondContact O-N 2.79Å; A226-Q229 PolarHBondContact O-N 3.3Å; A226-F230 VanDerWaalsContact O-CD2 3.3Å; A226-F230 WeakPolarHBondContact O-CD2 3.23Å; A226-F230 PolarHBondContact O-N 3.34Å
227	L	98.8	Very high	98.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-58.6	-43.7	176.5	-65.4	177.9	0	0	0	111.8	Y223 M224 E225 Q229 Y231 L238 F271 F278	Y223-L227 HydrophobicContact CD1-CD1 4.14Å; Y223-L227 HydrophobicContact CE1-CD1 3.73Å; Y223-L227 HydrophobicContact CE1-CG 4.23Å; Y223-L227 HydrophobicContact CE2-CD2 4.23Å; Y223-L227 HydrophobicContact CE2-CG 4.3Å; Y223-L227 WeakPolarHBondContact O-CG 3.11Å; Y223-L227 PolarHBondContact O-N 3.12Å; M224-L227 PolarHBondContact O-N 3.45Å; M224-L227 HydrophobicContact SD-CD1 4.3Å; E225-L227 VanDerWaalsContact C-N 3.34Å; E225-L227 PolarHBondContact O-N 3.45Å; L227-Q229 PolarHBondContact O-N 3.4Å; L227-Y231 WeakPolarHBondContact O-CB 3.13Å; L227-Y231 PolarHBondContact O-N 3.46Å; L227-L238 HydrophobicContact CD2-CD2 3.88Å; L227-F271 HydrophobicContact CB-CD1 4.21Å; L227-F271 HydrophobicContact CB-CD2 3.71Å; L227-F271 HydrophobicContact CB-CE1 4.19Å; L227-F271 HydrophobicContact CB-CE2 3.67Å; L227-F271 HydrophobicContact CB-CG 3.98Å; L227-F271 HydrophobicContact CB-CZ 3.93Å; L227-F271 HydrophobicContact CD1-CB 3.71Å; L227-F271 HydrophobicContact CD1-CD1 4.37Å; L227-F271 HydrophobicContact CD1-CD2 4.03Å; L227-F271 HydrophobicContact CD1-CG 3.78Å; L227-F271 HydrophobicContact CG-CG 4.48Å; L227-F278 HydrophobicContact CD2-CE1 4.05Å; L227-F278 HydrophobicContact CD2-CZ 3.66Å
228	N	98.8	Very high	98.7	Very high	65 Å²	65	25.3 Å²	25.3	35%	0.348	13%	0.133	S	C	.	.	H	α-helix	trans	-58.1	-47.7	174.6	-78.2	-42.5	0	0	0	112.1	M224 E225 A226 Y231 A232 F271	M224-N228 PolarHBondContact O-N 2.59Å; M224-N228 PolarHBondContact O-ND2 3.27Å; E225-N228 WeakPolarHBondContact O-CB 3.35Å; E225-N228 PolarHBondContact O-N 2.88Å; A226-N228 VanDerWaalsContact C-N 3.33Å; A226-N228 PolarHBondContact O-N 2.79Å; N228-Y231 PolarHBondContact O-N 3.47Å; N228-A232 VanDerWaalsContact O-CB 3.26Å; N228-A232 WeakPolarHBondContact O-CB 3.34Å; N228-A232 PolarHBondContact O-N 3.41Å; N228-F271 WeakPolarHBondContact OD1-CE2 3.42Å
229	Q	98.8	Very high	98.7	Very high	33 Å²	33	25.3 Å²	25.3	15%	0.154	13%	0.133	C	C	.	.	H	α-helix	trans	-66.4	-45.2	-177.2	-67.9	-171.6	18	0	0	111.7	D114 E225 A226 L227 A232 D233 P445	D114-Q229 VanDerWaalsContact N-OE1 3.14Å; D114-Q229 PolarHBondContact OD2-NE2 3.04Å; D114-Q229 VanDerWaalsContact OD2-NE2 3.09Å; E225-Q229 HydrophobicContact CG-CG 4.44Å; E225-Q229 WeakPolarHBondContact O-CG 3.36Å; E225-Q229 PolarHBondContact O-N 3.33Å; E225-Q229 WeakPolarHBondContact OE1-CG 3.41Å; E225-Q229 PolarHBondContact OE1-NE2 3.19Å; A226-Q229 PolarHBondContact O-N 3.3Å; L227-Q229 PolarHBondContact O-N 3.4Å; Q229-A232 PolarHBondContact O-N 2.76Å; Q229-D233 PolarHBondContact O-N 2.88Å; Q229-P445 HydrophobicContact CB-CG 4.04Å
230	F	98.8	Very high	98.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-64.5	-40.5	175.4	-83.9	-79.3	0	0	0	112.4	V104 V107 M112 A226 D233 N234 V235 L238 P438 P445	V104-F230 HydrophobicContact CB-CD1 4.35Å; V104-F230 HydrophobicContact CB-CE1 4.03Å; V104-F230 HydrophobicContact CG1-CD1 3.83Å; V104-F230 HydrophobicContact CG1-CE1 3.72Å; V104-F230 HydrophobicContact CG1-CZ 4.41Å; V104-F230 HydrophobicContact CG2-CE1 3.92Å; V107-F230 HydrophobicContact CG2-CE2 4.35Å; V107-F230 HydrophobicContact CG2-CZ 3.87Å; M112-F230 HydrophobicContact CB-CE2 3.97Å; M112-F230 HydrophobicContact CG-CE2 3.94Å; M112-F230 HydrophobicContact SD-CE2 4.13Å; A226-F230 VanDerWaalsContact O-CD2 3.3Å; A226-F230 WeakPolarHBondContact O-CD2 3.23Å; A226-F230 PolarHBondContact O-N 3.34Å; F230-D233 CarbonylContact O-C 3.55Å; F230-D233 PolarHBondContact O-N 3.49Å; F230-N234 PolarHBondContact O-N 3.41Å; F230-V235 HydrophobicContact CB-CB 4.3Å; F230-V235 HydrophobicContact CD1-CB 4.31Å; F230-V235 HydrophobicContact CD1-CG1 4.43Å; F230-V235 HydrophobicContact CD1-CG2 4.18Å; F230-V235 WeakPolarHBondContact O-CB 3.32Å; F230-V235 PolarHBondContact O-N 3.09Å; F230-L238 HydrophobicContact CB-CD1 4.12Å; F230-L238 HydrophobicContact CB-CD2 4.44Å; F230-L238 HydrophobicContact CD2-CD2 4.04Å; F230-L238 HydrophobicContact CG-CD1 4.41Å; F230-L238 HydrophobicContact CG-CD2 4.23Å; F230-L238 HydrophobicContact CG-CG 4.45Å; F230-P438 HydrophobicContact CZ-CG 4.3Å; F230-P445 HydrophobicContact CD1-CB 3.56Å; F230-P445 HydrophobicContact CD2-CB 4.34Å; F230-P445 HydrophobicContact CE1-CB 3.61Å; F230-P445 VanDerWaalsContact CE1-O 3.22Å; F230-P445 WeakPolarHBondContact CE1-O 3.27Å; F230-P445 HydrophobicContact CE2-CB 4.37Å; F230-P445 HydrophobicContact CG-CB 3.93Å; F230-P445 HydrophobicContact CZ-CB 4.02Å
231	Y	98.8	Very high	98.7	Very high	61 Å²	61	21.4 Å²	21.4	24%	0.239	12%	0.118	C	C	.	.	H	α-helix	trans	-64.5	-41.2	175.9	-178.7	-99.6	0	0	0	112.2	L227 N228 D233 N234 F271 H275 D277 F278	L227-Y231 WeakPolarHBondContact O-CB 3.13Å; L227-Y231 PolarHBondContact O-N 3.46Å; N228-Y231 PolarHBondContact O-N 3.47Å; Y231-D233 PolarHBondContact O-N 2.94Å; Y231-N234 WeakPolarHBondContact O-CA 3.4Å; Y231-N234 PolarHBondContact O-N 3.49Å; Y231-F271 HydrophobicContact CD2-CE1 4.33Å; Y231-F271 HydrophobicContact CG-CE1 4.24Å; Y231-F271 HydrophobicContact CG-CZ 4.15Å; Y231-H275 AromaticContact CD1-CD2 3.86Å; Y231-H275 AromaticContact CE1-CD2 3.48Å; Y231-H275 VanDerWaalsContact CE1-CD2 3.48Å; Y231-H275 WeakPolarHBondContact CE1-CD2 3.26Å; Y231-H275 HydrophobicContact CE2-CB 4.13Å; Y231-H275 AromaticContact CZ-CD2 3.69Å; Y231-D277 VanDerWaalsContact CE2-OD1 3.28Å; Y231-D277 WeakPolarHBondContact CE2-OD1 3.36Å; Y231-D277 PolarHBondContact OH-OD1 3.42Å; Y231-D277 PolarHBondContact OH-OD2 3.46Å; Y231-F278 HydrophobicContact CD2-CB 4.01Å; Y231-F278 AromaticContact CD2-CD2 3.98Å; Y231-F278 HydrophobicContact CD2-CD2 3.98Å; Y231-F278 HydrophobicContact CD2-CG 4.4Å; Y231-F278 HydrophobicContact CE2-CB 4.13Å
232	A	98.6	Very high	98.7	Very high	83 Å²	83	18 Å²	18	69%	0.686	10%	0.099	S	C	*	.	H	α-helix	trans	-63	-32.4	175	0	0	0	0	0	112	N228 Q229 N234	N228-A232 VanDerWaalsContact O-CB 3.26Å; N228-A232 WeakPolarHBondContact O-CB 3.34Å; N228-A232 PolarHBondContact O-N 3.41Å; Q229-A232 PolarHBondContact O-N 2.76Å; A232-N234 PolarHBondContact O-N 2.61Å
233	D	98.8	Very high	98.5	Very high	7 Å²	7	20.5 Å²	20.5	4%	0.037	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	19	170.6	-156.2	31.4	0	0	0	112.7	K101 Q229 F230 Y231 V235 P445 L446 S447	K101-D233 WeakPolarHBondContact CE-O 3.12Å; K101-D233 PolarHBondContact NZ-O 3.09Å; K101-D233 IonicContact NZ-OD1 3.4Å; Q229-D233 PolarHBondContact O-N 2.88Å; F230-D233 CarbonylContact O-C 3.55Å; F230-D233 PolarHBondContact O-N 3.49Å; Y231-D233 PolarHBondContact O-N 2.94Å; D233-V235 VanDerWaalsContact C-N 3.26Å; D233-V235 PolarHBondContact O-N 3.22Å; D233-P445 HydrophobicContact CB-CB 4Å; D233-P445 HydrophobicContact CB-CG 4.06Å; D233-L446 WeakPolarHBondContact OD2-CA 3.22Å; D233-L446 PolarHBondContact OD2-N 2.92Å; D233-S447 WeakPolarHBondContact OD1-CB 3Å; D233-S447 PolarHBondContact OD1-OG 3.42Å; D233-S447 PolarHBondContact OD2-N 2.94Å; D233-S447 PolarHBondContact OD2-OG 2.59Å
234	N	98.8	Very high	98.4	Very high	30 Å²	30	20.5 Å²	20.5	16%	0.16	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	34.9	175.2	-154.1	8.1	0	0	0	114.8	E98 P100 K101 F230 Y231 A232 K495	E98-N234 PolarHBondContact O-ND2 3Å; P100-N234 WeakPolarHBondContact CA-ND2 3.37Å; K101-N234 PolarHBondContact N-O 2.89Å; F230-N234 PolarHBondContact O-N 3.41Å; Y231-N234 WeakPolarHBondContact O-CA 3.4Å; Y231-N234 PolarHBondContact O-N 3.49Å; A232-N234 PolarHBondContact O-N 2.61Å; N234-K495 WeakPolarHBondContact OD1-CE 3.42Å; N234-K495 PolarHBondContact OD1-NZ 2.97Å; N234-K495 VanDerWaalsContact OD1-NZ 3.15Å
235	V	98.9	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	135	166.8	-177	0	0	0	0	108.6	V104 F230 D233 Y237 L238 L446	V104-V235 HydrophobicContact CB-CG1 4.2Å; V104-V235 HydrophobicContact CG1-CG1 4.01Å; F230-V235 HydrophobicContact CB-CB 4.3Å; F230-V235 HydrophobicContact CD1-CB 4.31Å; F230-V235 HydrophobicContact CD1-CG1 4.43Å; F230-V235 HydrophobicContact CD1-CG2 4.18Å; F230-V235 WeakPolarHBondContact O-CB 3.32Å; F230-V235 PolarHBondContact O-N 3.09Å; D233-V235 VanDerWaalsContact C-N 3.26Å; D233-V235 PolarHBondContact O-N 3.22Å; V235-Y237 WeakPolarHBondContact CG1-O 3.4Å; V235-L238 HydrophobicContact CG1-CD1 4.12Å; V235-L446 HydrophobicContact CG2-CB 3.92Å; V235-L446 HydrophobicContact CG2-CD2 3.67Å; V235-L446 HydrophobicContact CG2-CG 4.45Å
236	M	98.7	Very high	98.1	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.015	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	-7.2	-175.1	60	176.4	-71.7	0	0	114	G102 F278 Y279 G280 A488 L491 W492	G102-M236 WeakPolarHBondContact O-CG 3.28Å; G102-M236 PolarHBondContact O-N 2.98Å; M236-F278 WeakPolarHBondContact O-CD2 3.48Å; M236-Y279 HydrophobicContact CE-CD2 4.4Å; M236-Y279 HydrophobicContact CE-CG 4.41Å; M236-Y279 WeakPolarHBondContact O-CA 3.48Å; M236-Y279 VanDerWaalsContact O-CB 3.27Å; M236-Y279 WeakPolarHBondContact O-CB 3.28Å; M236-Y279 PolarHBondContact O-N 2.96Å; M236-G280 PolarHBondContact O-N 3.29Å; M236-A488 HydrophobicContact CE-CB 4.44Å; M236-L491 HydrophobicContact CE-CB 3.92Å; M236-L491 HydrophobicContact CE-CD2 3.45Å; M236-L491 VanDerWaalsContact CE-CD2 3.45Å; M236-L491 HydrophobicContact CE-CG 3.63Å; M236-W492 HydrophobicContact SD-CB 3.63Å; M236-W492 HydrophobicContact SD-CG 4.36Å
237	Y	98.9	Very high	98.1	Very high	6 Å²	6	22.5 Å²	22.5	2%	0.024	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	141.8	180	178.5	-108.2	0	0	0	111.9	A103 V104 L105 V235 E239 Y279 G280 R282 L480	A103-Y237 CarbonylContact C-O 3.58Å; A103-Y237 WeakPolarHBondContact CA-O 3.19Å; A103-Y237 HydrophobicContact CB-CD1 3.66Å; A103-Y237 HydrophobicContact CB-CG 4.29Å; A103-Y237 WeakPolarHBondContact CB-O 3.47Å; V104-Y237 PolarHBondContact N-O 3.27Å; L105-Y237 HydrophobicContact CD2-CD1 4.29Å; L105-Y237 HydrophobicContact CD2-CE1 4.16Å; V235-Y237 WeakPolarHBondContact CG1-O 3.4Å; Y237-E239 HydrophobicContact CD1-CG 4.43Å; Y237-E239 HydrophobicContact CE1-CG 3.45Å; Y237-E239 VanDerWaalsContact CE1-CG 3.45Å; Y237-E239 WeakPolarHBondContact CE1-OE1 3.15Å; Y237-E239 WeakPolarHBondContact OH-CG 3.39Å; Y237-E239 PolarHBondContact OH-OE1 3.05Å; Y237-Y279 AromaticContact CD2-CD1 3.86Å; Y237-Y279 HydrophobicContact CD2-CD1 3.86Å; Y237-Y279 HydrophobicContact CE2-CD1 4.4Å; Y237-Y279 HydrophobicContact CG-CD1 4.44Å; Y237-G280 VanDerWaalsContact CA-O 3.3Å; Y237-G280 WeakPolarHBondContact CA-O 3.41Å; Y237-G280 WeakPolarHBondContact CD2-O 3.24Å; Y237-R282 HydrophobicContact CE2-CG 4.4Å; Y237-R282 VanDerWaalsContact OH-CD 3.3Å; Y237-R282 WeakPolarHBondContact OH-CD 3.39Å; Y237-R282 VanDerWaalsContact OH-CG 3.28Å; Y237-R282 WeakPolarHBondContact OH-CG 3.31Å; Y237-L480 HydrophobicContact CD1-CD1 4.4Å; Y237-L480 HydrophobicContact CD2-CD2 4.5Å; Y237-L480 HydrophobicContact CE1-CD1 4.26Å; Y237-L480 HydrophobicContact CE1-CD2 4.42Å; Y237-L480 HydrophobicContact CE1-CG 4.02Å; Y237-L480 HydrophobicContact CE2-CD1 4.38Å; Y237-L480 HydrophobicContact CE2-CD2 3.69Å; Y237-L480 HydrophobicContact CE2-CG 4.14Å
238	L	98.8	Very high	98	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	138.1	-176.9	-75.4	59.4	0	0	0	111.5	V104 L227 F230 V235 L240 F278 G280 A281 R282	V104-L238 HydrophobicContact CG1-CB 4.03Å; V104-L238 HydrophobicContact CG1-CD1 3.99Å; V104-L238 HydrophobicContact CG1-CG 3.47Å; V104-L238 VanDerWaalsContact CG1-CG 3.47Å; V104-L238 WeakPolarHBondContact O-CA 3.49Å; L227-L238 HydrophobicContact CD2-CD2 3.88Å; F230-L238 HydrophobicContact CB-CD1 4.12Å; F230-L238 HydrophobicContact CB-CD2 4.44Å; F230-L238 HydrophobicContact CD2-CD2 4.04Å; F230-L238 HydrophobicContact CG-CD1 4.41Å; F230-L238 HydrophobicContact CG-CD2 4.23Å; F230-L238 HydrophobicContact CG-CG 4.45Å; V235-L238 HydrophobicContact CG1-CD1 4.12Å; L238-L240 HydrophobicContact CB-CD1 3.72Å; L238-L240 HydrophobicContact CB-CG 4.28Å; L238-L240 HydrophobicContact CD2-CD1 4.45Å; L238-L240 HydrophobicContact CD2-CD2 4.46Å; L238-F278 HydrophobicContact CD1-CE2 3.67Å; L238-F278 HydrophobicContact CD1-CZ 3.7Å; L238-G280 PolarHBondContact N-O 3.36Å; L238-G280 VanDerWaalsContact N-O 3.17Å; L238-A281 HydrophobicContact CB-CB 4.06Å; L238-A281 CarbonylContact O-C 3.59Å; L238-A281 WeakPolarHBondContact O-CA 3.3Å; L238-R282 PolarHBondContact O-N 3.46Å
239	E	98.8	Very high	97.9	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	108.3	161.4	-61.3	-168.2	175.9	0	0	110.2	V104 L105 Y237 R282 I284 R376 S478 A479	V104-E239 PolarHBondContact O-N 3.36Å; L105-E239 HydrophobicContact CD2-CB 4.26Å; L105-E239 HydrophobicContact CD2-CG 3.82Å; Y237-E239 HydrophobicContact CD1-CG 4.43Å; Y237-E239 HydrophobicContact CE1-CG 3.45Å; Y237-E239 VanDerWaalsContact CE1-CG 3.45Å; Y237-E239 WeakPolarHBondContact CE1-OE1 3.15Å; Y237-E239 WeakPolarHBondContact OH-CG 3.39Å; Y237-E239 PolarHBondContact OH-OE1 3.05Å; E239-R282 WeakPolarHBondContact CA-O 3.26Å; E239-R282 HydrophobicContact CG-CB 4.39Å; E239-I284 HydrophobicContact CB-CD1 4.23Å; E239-R376 IonicContact OE2-CZ 2.64Å; E239-R376 IonicContact OE2-NH1 3.98Å; E239-R376 PolarHBondContact OE2-NH1 2.87Å; E239-R376 IonicContact OE2-NH2 3.04Å; E239-R376 PolarHBondContact OE2-NH2 3.22Å; E239-S478 WeakPolarHBondContact OE1-CB 3.43Å; E239-A479 WeakPolarHBondContact OE1-CA 3.34Å; E239-A479 VanDerWaalsContact OE1-CB 3.25Å; E239-A479 WeakPolarHBondContact OE1-CB 3.37Å; E239-A479 PolarHBondContact OE1-N 2.87Å; E239-A479 PolarHBondContact OE2-N 3.45Å
240	L	97.8	Very high	97.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130.4	-168.9	-51.6	89.3	0	0	0	110.4	V107 M112 Y223 L238 A281 R282 I283 I284	V107-L240 HydrophobicContact CG1-CB 4.42Å; V107-L240 HydrophobicContact CG1-CG 4.17Å; V107-L240 CarbonylContact O-C 3.58Å; V107-L240 WeakPolarHBondContact O-CA 3.5Å; M112-L240 HydrophobicContact CE-CD2 3.54Å; M112-L240 HydrophobicContact SD-CD2 3.39Å; M112-L240 WeakPolarHBondContact SD-CD2 3.48Å; M112-L240 HydrophobicContact SD-CG 4.38Å; Y223-L240 HydrophobicContact CD2-CD2 4.42Å; Y223-L240 HydrophobicContact CE2-CD2 3.67Å; L238-L240 HydrophobicContact CB-CD1 3.72Å; L238-L240 HydrophobicContact CB-CG 4.28Å; L238-L240 HydrophobicContact CD2-CD1 4.45Å; L238-L240 HydrophobicContact CD2-CD2 4.46Å; L240-A281 HydrophobicContact CD1-CB 3.85Å; L240-R282 VanDerWaalsContact CD1-O 3.24Å; L240-R282 WeakPolarHBondContact CD1-O 3.35Å; L240-R282 PolarHBondContact N-O 3.35Å; L240-I283 HydrophobicContact CB-CD1 3.98Å; L240-I283 HydrophobicContact CD1-CD1 3.93Å; L240-I283 HydrophobicContact CG-CD1 4.38Å; L240-I283 CarbonylContact O-C 3.53Å; L240-I284 PolarHBondContact O-N 3.08Å
241	R	98.9	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.7	162.9	-87.5	68	175.6	-178.5	-7.5	107.4	L105 V107 H108 D109 I284 T286 D318 V320 F349 E401	L105-R241 PolarHBondContact O-NH1 3.41Å; V107-R241 PolarHBondContact O-N 3.46Å; H108-R241 CarbonylContact C-O 3.56Å; H108-R241 WeakPolarHBondContact CA-O 3.48Å; H108-R241 WeakPolarHBondContact ND1-CB 3.24Å; D109-R241 PolarHBondContact N-O 3.33Å; R241-I284 WeakPolarHBondContact CA-O 3.29Å; R241-I284 HydrophobicContact CG-CG2 4.43Å; R241-T286 HydrophobicContact CB-CG2 3.53Å; R241-T286 HydrophobicContact CG-CG2 3.54Å; R241-D318 HydrophobicContact CG-CB 4.49Å; R241-D318 WeakPolarHBondContact CG-OD2 3.3Å; R241-D318 IonicContact NE-OD2 2.73Å; R241-D318 PolarHBondContact NE-OD2 3.35Å; R241-V320 HydrophobicContact CG-CG1 4.44Å; R241-F349 PolarHBondContact NH2-O 3.12Å; R241-E401 IonicContact CZ-OE1 3.57Å; R241-E401 IonicContact CZ-OE2 3.13Å; R241-E401 IonicContact NH1-OE1 2.83Å; R241-E401 PolarHBondContact NH1-OE1 3.01Å; R241-E401 IonicContact NH2-OE1 3.39Å; R241-E401 PolarHBondContact NH2-OE1 3.39Å; R241-E401 IonicContact NH2-OE2 2.68Å; R241-E401 PolarHBondContact NH2-OE2 2.87Å
242	A	98.3	Very high	97.1	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	133.2	180	0	0	0	0	0	112.1	D109 L244 Y264 I283 I284 F285 T286	D109-A242 HydrophobicContact CB-CB 4.13Å; D109-A242 VanDerWaalsContact CG-CA 3.45Å; D109-A242 VanDerWaalsContact OD2-CA 3.27Å; D109-A242 WeakPolarHBondContact OD2-CA 3.47Å; D109-A242 WeakPolarHBondContact OD2-CB 3.23Å; A242-L244 HydrophobicContact CB-CD2 4.07Å; A242-L244 HydrophobicContact CB-CG 4.34Å; A242-L244 PolarHBondContact O-N 3.47Å; A242-Y264 HydrophobicContact CB-CE2 4.28Å; A242-I283 HydrophobicContact CB-CG2 3.71Å; A242-I284 PolarHBondContact N-O 2.96Å; A242-F285 WeakPolarHBondContact O-CA 3.48Å; A242-T286 PolarHBondContact O-N 2.9Å; A242-T286 PolarHBondContact O-OG1 2.68Å
243	L	95.6	Very high	96.9	Very high	55 Å²	55	29.2 Å²	29.2	29%	0.288	17%	0.165	S	C	.	.			trans	-70.6	-15.7	172.7	-72.8	169.1	0	0	0	112.3	D109 W210 F285 T286 V320	D109-L243 PolarHBondContact OD1-N 3.02Å; D109-L243 PolarHBondContact OD2-N 3.35Å; W210-L243 HydrophobicContact CZ3-CD1 3.84Å; L243-F285 WeakPolarHBondContact O-CE2 3.24Å; L243-T286 WeakPolarHBondContact CD2-OG1 3.33Å; L243-T286 PolarHBondContact N-OG1 3.21Å; L243-V320 HydrophobicContact CD2-CG2 4.36Å
244	L	96.7	Very high	96.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.005	19%	0.187	C	C	.	.			trans	49.1	60.5	-175.1	-62.4	-178.6	0	0	0	111.8	A242 Q257 T260 L261 Y264 I283 F285 L306	A242-L244 HydrophobicContact CB-CD2 4.07Å; A242-L244 HydrophobicContact CB-CG 4.34Å; A242-L244 PolarHBondContact O-N 3.47Å; L244-Q257 HydrophobicContact CB-CB 4.16Å; L244-Q257 HydrophobicContact CB-CG 4.12Å; L244-Q257 WeakPolarHBondContact O-CG 3.35Å; L244-T260 HydrophobicContact CD2-CG2 4.1Å; L244-L261 HydrophobicContact CD1-CB 4.45Å; L244-L261 HydrophobicContact CD2-CB 4.32Å; L244-L261 HydrophobicContact CD2-CD1 4.46Å; L244-Y264 HydrophobicContact CD2-CD2 4.16Å; L244-Y264 HydrophobicContact CD2-CE2 4.09Å; L244-I283 HydrophobicContact CD2-CG2 4.15Å; L244-F285 HydrophobicContact CB-CD2 4.12Å; L244-F285 HydrophobicContact CB-CE2 4.2Å; L244-F285 HydrophobicContact CD1-CB 4.12Å; L244-F285 HydrophobicContact CD1-CD2 3.7Å; L244-F285 HydrophobicContact CD1-CE2 4.36Å; L244-F285 HydrophobicContact CD1-CG 3.95Å; L244-F285 HydrophobicContact CG-CD2 3.9Å; L244-F285 HydrophobicContact CG-CE2 4.47Å; L244-L306 HydrophobicContact CD1-CD1 3.86Å
245	P	94.3	Very high	96.8	Very high	7 Å²	7	33.4 Å²	33.4	5%	0.045	19%	0.189	C	C	.	.			trans	-65.7	163.7	-176.7	27.8	-33.7	0	0	0	112.3	F110 W210 T214 V247 T260	F110-P245 HydrophobicContact CE2-CG 3.91Å; F110-P245 HydrophobicContact CZ-CG 3.56Å; W210-P245 HydrophobicContact CH2-CB 3.46Å; W210-P245 VanDerWaalsContact CH2-CB 3.46Å; W210-P245 HydrophobicContact CH2-CG 4.39Å; W210-P245 HydrophobicContact CZ2-CB 3.48Å; W210-P245 VanDerWaalsContact CZ2-CB 3.48Å; W210-P245 HydrophobicContact CZ3-CB 4.17Å; T214-P245 HydrophobicContact CG2-CB 3.85Å; T214-P245 HydrophobicContact CG2-CG 3.62Å; P245-V247 PolarHBondContact O-N 2.77Å; P245-T260 PolarHBondContact O-OG1 3.33Å
246	Q	95.6	Very high	96.7	Very high	121 Å²	121	37.2 Å²	37.2	57%	0.565	21%	0.209	S	C	*	.			trans	-66.8	113.7	162.5	-69.4	-176.1	-2.2	0	0	108.7	H255	Q246-H255 VanDerWaalsContact CA-O 3.32Å; Q246-H255 WeakPolarHBondContact CA-O 3.41Å
247	V	97.8	Very high	96.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.			trans	-85.1	138.2	175.2	174	0	0	0	0	108.2	T214 A216 F219 P245 T254 H255 W259 T260	T214-V247 CarbonylContact O-C 3.59Å; T214-V247 WeakPolarHBondContact O-CA 3.37Å; T214-V247 WeakPolarHBondContact O-CG1 3.44Å; A216-V247 VanDerWaalsContact CA-CG1 3.42Å; A216-V247 HydrophobicContact CB-CG1 3.54Å; F219-V247 HydrophobicContact CB-CG1 4.26Å; F219-V247 HydrophobicContact CD1-CG2 4.2Å; F219-V247 HydrophobicContact CD2-CG2 4.05Å; F219-V247 HydrophobicContact CE1-CG2 4.41Å; F219-V247 HydrophobicContact CE2-CG2 4.27Å; F219-V247 HydrophobicContact CG-CG1 4.42Å; F219-V247 HydrophobicContact CG-CG2 4.01Å; F219-V247 HydrophobicContact CZ-CG2 4.45Å; P245-V247 PolarHBondContact O-N 2.77Å; V247-T254 CarbonylContact O-C 3.49Å; V247-T254 WeakPolarHBondContact O-CA 3.44Å; V247-H255 PolarHBondContact O-N 2.67Å; V247-W259 HydrophobicContact CB-CE3 4.15Å; V247-W259 HydrophobicContact CB-CH2 4.42Å; V247-W259 HydrophobicContact CB-CZ3 3.63Å; V247-W259 HydrophobicContact CG1-CH2 3.91Å; V247-W259 HydrophobicContact CG1-CZ3 3.57Å; V247-W259 HydrophobicContact CG2-CE3 4.49Å; V247-W259 HydrophobicContact CG2-CZ3 3.98Å; V247-T260 HydrophobicContact CG2-CG2 4.08Å
248	Y	97.3	Very high	96.5	Very high	30 Å²	30	40.9 Å²	40.9	12%	0.118	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-118.6	151.5	-174	72.2	-88.6	0	0	0	113.2	V141 F142 G211 T214 F215 A216 C253	V141-Y248 HydrophobicContact CG2-CE2 4.35Å; F142-Y248 HydrophobicContact CB-CE2 4.18Å; F142-Y248 PolarHBondContact N-OH 2.98Å; F142-Y248 WeakPolarHBondContact O-CE2 3.33Å; G211-Y248 PolarHBondContact O-OH 3.46Å; T214-Y248 WeakPolarHBondContact O-CD1 3.4Å; T214-Y248 PolarHBondContact O-N 2.88Å; T214-Y248 WeakPolarHBondContact OG1-CE1 3.22Å; F215-Y248 HydrophobicContact CB-CE1 4.17Å; F215-Y248 HydrophobicContact CB-CE2 4.08Å; F215-Y248 HydrophobicContact CD2-CD2 4.3Å; F215-Y248 AromaticContact CD2-CE2 3.95Å; F215-Y248 HydrophobicContact CD2-CE2 3.95Å; F215-Y248 HydrophobicContact CG-CE2 4.39Å; A216-Y248 WeakPolarHBondContact CB-O 3.22Å; A216-Y248 PolarHBondContact N-O 3.3Å; Y248-C253 CarbonylContact C-O 3.54Å; Y248-C253 VanDerWaalsContact CA-O 3.28Å; Y248-C253 WeakPolarHBondContact CA-O 3.36Å
249	E	97.3	Very high	96.5	Very high	51 Å²	51	43.7 Å²	43.7	24%	0.238	24%	0.241	C	C	.	.			trans	-97.4	168.5	175.4	-62.5	-64.9	173.7	0	0	111.4	A216 D251 G252 C253 H255	A216-E249 WeakPolarHBondContact CB-OE1 3.45Å; A216-E249 WeakPolarHBondContact CB-OE2 3.42Å; E249-D251 WeakPolarHBondContact CB-OD1 3.44Å; E249-D251 PolarHBondContact O-N 2.68Å; E249-G252 PolarHBondContact O-N 2.9Å; E249-C253 PolarHBondContact N-O 2.74Å; E249-H255 WeakPolarHBondContact CG-NE2 3.45Å; E249-H255 IonicContact OE1-CD2 3.2Å; E249-H255 IonicContact OE1-CE1 3.78Å; E249-H255 IonicContact OE1-NE2 3.94Å; E249-H255 PolarHBondContact OE1-NE2 3.07Å
250	L	96.1	Very high	96.4	Very high	57 Å²	57	43.7 Å²	43.7	30%	0.298	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-24	-173.6	-170.6	66.6	0	0	0	114	N127 F142 S144 F215 G252	N127-L250 HydrophobicContact CB-CD1 3.81Å; F142-L250 HydrophobicContact CB-CD1 4.28Å; S144-L250 PolarHBondContact N-O 3.2Å; F215-L250 HydrophobicContact CE2-CB 4.06Å; F215-L250 HydrophobicContact CE2-CD1 4.35Å; F215-L250 HydrophobicContact CZ-CB 4.42Å; F215-L250 HydrophobicContact CZ-CD1 4.31Å; L250-G252 VanDerWaalsContact C-N 3.3Å
251	D	92.1	Very high	96.5	Very high	119 Å²	119	43.7 Å²	43.7	64%	0.636	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.8	175	61.9	4.6	0	0	0	113.3	E249 C253	E249-D251 WeakPolarHBondContact CB-OD1 3.44Å; E249-D251 PolarHBondContact O-N 2.68Å; D251-C253 WeakPolarHBondContact OD1-CB 3.46Å; D251-C253 PolarHBondContact OD1-N 3.49Å
252	G	91.2	Very high	96.4	Very high	52 Å²	52	46.8 Å²	46.8	54%	0.536	26%	0.256	S	S	.	.	S	Bend	trans	88.9	1.8	-179.4	0	0	0	0	0	114.7	E249 L250	E249-G252 PolarHBondContact O-N 2.9Å; L250-G252 VanDerWaalsContact C-N 3.3Å
253	C	94.1	Very high	96.5	Very high	74 Å²	74	47.4 Å²	47.4	50%	0.5	26%	0.259	S	S	.	.			trans	-63.7	143.2	169.5	-75.2	0	0	0	0	110.6	Y248 E249 D251	Y248-C253 CarbonylContact C-O 3.54Å; Y248-C253 VanDerWaalsContact CA-O 3.28Å; Y248-C253 WeakPolarHBondContact CA-O 3.36Å; E249-C253 PolarHBondContact N-O 2.74Å; D251-C253 WeakPolarHBondContact OD1-CB 3.46Å; D251-C253 PolarHBondContact OD1-N 3.49Å
254	T	97.2	Very high	96.6	Very high	80 Å²	80	44.8 Å²	44.8	49%	0.491	25%	0.246	S	C	.	.	B	Isolated β-bridge	trans	-118.6	144.5	-177.2	57.8	0	0	0	0	111.5	V247	V247-T254 CarbonylContact O-C 3.49Å; V247-T254 WeakPolarHBondContact O-CA 3.44Å
255	H	98	Very high	96.7	Very high	46 Å²	46	46 Å²	46	21%	0.213	25%	0.252	C	S	.	.			trans	-98.9	151.8	171.8	-58.7	-67.1	0	0	0	111	Q246 V247 E249 W259	Q246-H255 VanDerWaalsContact CA-O 3.32Å; Q246-H255 WeakPolarHBondContact CA-O 3.41Å; V247-H255 PolarHBondContact O-N 2.67Å; E249-H255 WeakPolarHBondContact CG-NE2 3.45Å; E249-H255 IonicContact OE1-CD2 3.2Å; E249-H255 IonicContact OE1-CE1 3.78Å; E249-H255 IonicContact OE1-NE2 3.94Å; E249-H255 PolarHBondContact OE1-NE2 3.07Å; H255-W259 HydrophobicContact CB-CB 3.82Å; H255-W259 HydrophobicContact CB-CD2 3.44Å; H255-W259 VanDerWaalsContact CB-CD2 3.44Å; H255-W259 HydrophobicContact CB-CE3 3.57Å; H255-W259 HydrophobicContact CB-CG 3.56Å; H255-W259 HydrophobicContact CB-CZ3 4.34Å; H255-W259 AromaticContact CD2-CD2 3.91Å; H255-W259 AromaticContact CD2-CE2 3.66Å; H255-W259 AromaticContact CD2-CH2 3.85Å; H255-W259 AromaticContact CD2-CZ2 3.59Å; H255-W259 AromaticContact CE1-CE2 3.95Å; H255-W259 AromaticContact CE1-NE1 3.78Å; H255-W259 AromaticContact CG-CD1 3.99Å; H255-W259 AromaticContact CG-CD2 3.51Å; H255-W259 AromaticContact CG-CE2 3.56Å; H255-W259 AromaticContact CG-CE3 3.9Å; H255-W259 AromaticContact CG-CG 3.79Å; H255-W259 AromaticContact CG-CZ2 3.99Å; H255-W259 AromaticContact CG-NE1 3.85Å; H255-W259 AromaticContact ND1-CD1 3.69Å; H255-W259 AromaticContact ND1-CE2 3.77Å; H255-W259 AromaticContact ND1-CG 3.95Å; H255-W259 AromaticContact ND1-NE1 3.56Å; H255-W259 AromaticContact NE2-CE2 3.89Å; H255-W259 AromaticContact NE2-CZ2 3.71Å
256	D	96.6	Very high	96.9	Very high	79 Å²	79	49.3 Å²	49.3	42%	0.422	27%	0.269	S	S	.	.			trans	-85.9	177.2	-179.1	82.3	-11.7	0	0	0	112.7	A258 W259 T260	D256-A258 PolarHBondContact O-N 3.16Å; D256-A258 WeakPolarHBondContact OD1-CB 3.44Å; D256-A258 PolarHBondContact OD1-N 3.4Å; D256-A258 VanDerWaalsContact OD1-N 3.09Å; D256-W259 WeakPolarHBondContact O-CB 3.46Å; D256-W259 PolarHBondContact O-N 2.77Å; D256-W259 PolarHBondContact OD1-N 2.92Å; D256-T260 PolarHBondContact O-N 3.49Å; D256-T260 VanDerWaalsContact O-N 3.14Å; D256-T260 PolarHBondContact O-OG1 2.91Å
257	Q	96.1	Very high	97.1	Very high	64 Å²	64	44.3 Å²	44.3	30%	0.299	25%	0.246	S	C	.	.	H	α-helix	trans	-63.4	-28.8	-179	-64.8	122	-37.5	0	0	113.6	L244 T260 L261 L306	L244-Q257 HydrophobicContact CB-CB 4.16Å; L244-Q257 HydrophobicContact CB-CG 4.12Å; L244-Q257 WeakPolarHBondContact O-CG 3.35Å; Q257-T260 PolarHBondContact O-N 2.92Å; Q257-L261 WeakPolarHBondContact O-CB 3.26Å; Q257-L261 PolarHBondContact O-N 2.81Å; Q257-L306 HydrophobicContact CB-CD1 4.49Å
258	A	97.8	Very high	97.1	Very high	23 Å²	23	44.6 Å²	44.6	19%	0.19	25%	0.247	C	C	.	.	H	α-helix	trans	-70.6	-40.2	179.4	0	0	0	0	0	110.4	D256 L261 Q262 L306 F310	D256-A258 PolarHBondContact O-N 3.16Å; D256-A258 WeakPolarHBondContact OD1-CB 3.44Å; D256-A258 PolarHBondContact OD1-N 3.4Å; D256-A258 VanDerWaalsContact OD1-N 3.09Å; A258-L261 PolarHBondContact O-N 3.26Å; A258-Q262 WeakPolarHBondContact O-CB 3.29Å; A258-Q262 PolarHBondContact O-N 3.04Å; A258-L306 HydrophobicContact CB-CD2 4.04Å; A258-F310 HydrophobicContact CB-CE2 4.39Å
259	W	98.3	Very high	97.2	Very high	59 Å²	59	48.4 Å²	48.4	22%	0.223	27%	0.265	C	S	.	.	H	α-helix	trans	-61.3	-43.1	171.8	-176.9	101.2	0	0	0	112.3	A216 F219 V247 H255 D256 L261 Q262 T263	A216-W259 HydrophobicContact CB-CH2 4.19Å; F219-W259 HydrophobicContact CD1-CZ3 4.45Å; V247-W259 HydrophobicContact CB-CE3 4.15Å; V247-W259 HydrophobicContact CB-CH2 4.42Å; V247-W259 HydrophobicContact CB-CZ3 3.63Å; V247-W259 HydrophobicContact CG1-CH2 3.91Å; V247-W259 HydrophobicContact CG1-CZ3 3.57Å; V247-W259 HydrophobicContact CG2-CE3 4.49Å; V247-W259 HydrophobicContact CG2-CZ3 3.98Å; H255-W259 HydrophobicContact CB-CB 3.82Å; H255-W259 HydrophobicContact CB-CD2 3.44Å; H255-W259 VanDerWaalsContact CB-CD2 3.44Å; H255-W259 HydrophobicContact CB-CE3 3.57Å; H255-W259 HydrophobicContact CB-CG 3.56Å; H255-W259 HydrophobicContact CB-CZ3 4.34Å; H255-W259 AromaticContact CD2-CD2 3.91Å; H255-W259 AromaticContact CD2-CE2 3.66Å; H255-W259 AromaticContact CD2-CH2 3.85Å; H255-W259 AromaticContact CD2-CZ2 3.59Å; H255-W259 AromaticContact CE1-CE2 3.95Å; H255-W259 AromaticContact CE1-NE1 3.78Å; H255-W259 AromaticContact CG-CD1 3.99Å; H255-W259 AromaticContact CG-CD2 3.51Å; H255-W259 AromaticContact CG-CE2 3.56Å; H255-W259 AromaticContact CG-CE3 3.9Å; H255-W259 AromaticContact CG-CG 3.79Å; H255-W259 AromaticContact CG-CZ2 3.99Å; H255-W259 AromaticContact CG-NE1 3.85Å; H255-W259 AromaticContact ND1-CD1 3.69Å; H255-W259 AromaticContact ND1-CE2 3.77Å; H255-W259 AromaticContact ND1-CG 3.95Å; H255-W259 AromaticContact ND1-NE1 3.56Å; H255-W259 AromaticContact NE2-CE2 3.89Å; H255-W259 AromaticContact NE2-CZ2 3.71Å; D256-W259 WeakPolarHBondContact O-CB 3.46Å; D256-W259 PolarHBondContact O-N 2.77Å; D256-W259 PolarHBondContact OD1-N 2.92Å; W259-L261 VanDerWaalsContact C-N 3.34Å; W259-L261 PolarHBondContact O-N 3.23Å; W259-Q262 PolarHBondContact O-N 3.38Å; W259-T263 HydrophobicContact CH2-CG2 4.41Å; W259-T263 HydrophobicContact CZ3-CG2 4.42Å; W259-T263 WeakPolarHBondContact CZ3-OG1 3.16Å; W259-T263 WeakPolarHBondContact O-CB 3.34Å; W259-T263 PolarHBondContact O-N 3.39Å; W259-T263 PolarHBondContact O-OG1 2.91Å
260	T	98.3	Very high	97.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.1	-44.1	178.5	-57.5	0	0	0	0	110.9	F219 L244 P245 V247 D256 Q257 T263 Y264	F219-T260 HydrophobicContact CE1-CG2 4.13Å; F219-T260 HydrophobicContact CE2-CG2 4.13Å; F219-T260 HydrophobicContact CZ-CG2 3.53Å; L244-T260 HydrophobicContact CD2-CG2 4.1Å; P245-T260 PolarHBondContact O-OG1 3.33Å; V247-T260 HydrophobicContact CG2-CG2 4.08Å; D256-T260 PolarHBondContact O-N 3.49Å; D256-T260 VanDerWaalsContact O-N 3.14Å; D256-T260 PolarHBondContact O-OG1 2.91Å; Q257-T260 PolarHBondContact O-N 2.92Å; T260-T263 PolarHBondContact O-N 3.06Å; T260-Y264 HydrophobicContact CG2-CD2 4.4Å; T260-Y264 HydrophobicContact CG2-CE2 4.15Å; T260-Y264 WeakPolarHBondContact O-CD2 3.31Å; T260-Y264 PolarHBondContact O-N 2.89Å; T260-Y264 VanDerWaalsContact O-N 3.12Å
261	L	98.4	Very high	97.4	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.8	-42.3	176.4	-175.9	59.4	0	0	0	112.7	L244 Q257 A258 W259 T263 Y264 Q265 I283 L306 F310 F313 L314	L244-L261 HydrophobicContact CD1-CB 4.45Å; L244-L261 HydrophobicContact CD2-CB 4.32Å; L244-L261 HydrophobicContact CD2-CD1 4.46Å; Q257-L261 WeakPolarHBondContact O-CB 3.26Å; Q257-L261 PolarHBondContact O-N 2.81Å; A258-L261 PolarHBondContact O-N 3.26Å; W259-L261 VanDerWaalsContact C-N 3.34Å; W259-L261 PolarHBondContact O-N 3.23Å; L261-T263 VanDerWaalsContact C-N 3.3Å; L261-T263 PolarHBondContact O-N 3.31Å; L261-Y264 PolarHBondContact O-N 2.63Å; L261-Q265 PolarHBondContact O-N 3.26Å; L261-I283 HydrophobicContact CD1-CB 3.72Å; L261-I283 HydrophobicContact CD1-CG1 3.6Å; L261-I283 HydrophobicContact CD1-CG2 4.11Å; L261-L306 HydrophobicContact CD2-CB 4.17Å; L261-L306 HydrophobicContact CD2-CD1 4.43Å; L261-L306 HydrophobicContact CD2-CD2 4.22Å; L261-F310 HydrophobicContact CD2-CB 3.9Å; L261-F310 HydrophobicContact CD2-CD1 4.29Å; L261-F310 HydrophobicContact CD2-CD2 3.53Å; L261-F310 HydrophobicContact CD2-CE2 4.1Å; L261-F310 HydrophobicContact CD2-CG 3.65Å; L261-F310 HydrophobicContact CG-CD1 4.25Å; L261-F310 HydrophobicContact CG-CD2 4.27Å; L261-F310 HydrophobicContact CG-CG 4.11Å; L261-F313 HydrophobicContact CD1-CD1 3.68Å; L261-F313 HydrophobicContact CD1-CE1 3.95Å; L261-F313 HydrophobicContact CG-CD1 4.36Å; L261-L314 HydrophobicContact CD1-CD1 4.4Å; L261-L314 HydrophobicContact CD2-CB 4.36Å; L261-L314 HydrophobicContact CD2-CD1 4.17Å
262	Q	98.6	Very high	97.7	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.304	25%	0.248	S	C	.	.	H	α-helix	trans	-60	-41.6	174.5	-176.3	65.1	68.8	0	0	111.1	A258 W259 Q265 D266 F310	A258-Q262 WeakPolarHBondContact O-CB 3.29Å; A258-Q262 PolarHBondContact O-N 3.04Å; W259-Q262 PolarHBondContact O-N 3.38Å; Q262-Q265 WeakPolarHBondContact O-CB 3.39Å; Q262-Q265 PolarHBondContact O-N 3.38Å; Q262-Q265 VanDerWaalsContact O-N 3.11Å; Q262-D266 WeakPolarHBondContact CG-OD2 3.15Å; Q262-D266 VanDerWaalsContact NE2-CG 3.26Å; Q262-D266 PolarHBondContact NE2-OD1 3.15Å; Q262-D266 PolarHBondContact NE2-OD2 3.49Å; Q262-D266 VanDerWaalsContact NE2-OD2 3.13Å; Q262-D266 PolarHBondContact O-N 2.81Å; Q262-F310 HydrophobicContact CB-CE1 4.01Å; Q262-F310 HydrophobicContact CB-CZ 4.16Å; Q262-F310 VanDerWaalsContact OE1-CE1 3.27Å
263	T	98.7	Very high	98	Very high	12 Å²	12	47.6 Å²	47.6	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-62.5	-45.4	178.2	-60	0	0	0	0	111.6	F219 R220 W259 T260 L261 Q265 D266 L267	F219-T263 HydrophobicContact CD1-CG2 3.97Å; F219-T263 HydrophobicContact CE1-CG2 3.77Å; R220-T263 HydrophobicContact CG-CG2 3.93Å; W259-T263 HydrophobicContact CH2-CG2 4.41Å; W259-T263 HydrophobicContact CZ3-CG2 4.42Å; W259-T263 WeakPolarHBondContact CZ3-OG1 3.16Å; W259-T263 WeakPolarHBondContact O-CB 3.34Å; W259-T263 PolarHBondContact O-N 3.39Å; W259-T263 PolarHBondContact O-OG1 2.91Å; T260-T263 PolarHBondContact O-N 3.06Å; L261-T263 VanDerWaalsContact C-N 3.3Å; L261-T263 PolarHBondContact O-N 3.31Å; T263-Q265 VanDerWaalsContact C-N 3.29Å; T263-Q265 PolarHBondContact O-N 2.7Å; T263-D266 PolarHBondContact O-N 3.03Å; T263-L267 HydrophobicContact CG2-CD1 3.89Å; T263-L267 HydrophobicContact CG2-CG 4.4Å; T263-L267 WeakPolarHBondContact O-CB 3.36Å; T263-L267 VanDerWaalsContact O-CG 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.23Å; T263-L267 PolarHBondContact O-N 2.64Å
264	Y	98.8	Very high	98.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-57.2	-43.7	171.8	-80.1	-54.6	0	0	0	111.7	F219 Y223 A242 L244 T260 L261 T268 I283	F219-Y264 HydrophobicContact CE2-CE1 4.28Å; F219-Y264 HydrophobicContact CE2-CE2 4.21Å; F219-Y264 AromaticContact CE2-CZ 3.77Å; F219-Y264 HydrophobicContact CZ-CD1 4.27Å; F219-Y264 HydrophobicContact CZ-CD2 4.08Å; F219-Y264 AromaticContact CZ-CE1 3.78Å; F219-Y264 HydrophobicContact CZ-CE1 3.78Å; F219-Y264 AromaticContact CZ-CE2 3.6Å; F219-Y264 HydrophobicContact CZ-CE2 3.6Å; F219-Y264 HydrophobicContact CZ-CG 4.41Å; F219-Y264 AromaticContact CZ-CZ 3.43Å; F219-Y264 VanDerWaalsContact CZ-CZ 3.43Å; Y223-Y264 AromaticContact CD1-CD1 3.6Å; Y223-Y264 HydrophobicContact CD1-CD1 3.6Å; Y223-Y264 HydrophobicContact CD1-CE1 4.19Å; Y223-Y264 AromaticContact CD2-CD1 3.5Å; Y223-Y264 HydrophobicContact CD2-CD1 3.5Å; Y223-Y264 VanDerWaalsContact CD2-CD1 3.5Å; Y223-Y264 AromaticContact CD2-CE1 3.36Å; Y223-Y264 HydrophobicContact CD2-CE1 3.36Å; Y223-Y264 AromaticContact CE1-CD1 3.66Å; Y223-Y264 HydrophobicContact CE1-CD1 3.66Å; Y223-Y264 WeakPolarHBondContact CE1-O 3.25Å; Y223-Y264 AromaticContact CE2-CD1 3.58Å; Y223-Y264 HydrophobicContact CE2-CD1 3.58Å; Y223-Y264 AromaticContact CE2-CE1 3.76Å; Y223-Y264 HydrophobicContact CE2-CE1 3.76Å; Y223-Y264 AromaticContact CG-CD1 3.48Å; Y223-Y264 HydrophobicContact CG-CD1 3.48Å; Y223-Y264 VanDerWaalsContact CG-CD1 3.48Å; Y223-Y264 AromaticContact CG-CE1 3.58Å; Y223-Y264 HydrophobicContact CG-CE1 3.58Å; Y223-Y264 AromaticContact CZ-CD1 3.64Å; A242-Y264 HydrophobicContact CB-CE2 4.28Å; L244-Y264 HydrophobicContact CD2-CD2 4.16Å; L244-Y264 HydrophobicContact CD2-CE2 4.09Å; T260-Y264 HydrophobicContact CG2-CD2 4.4Å; T260-Y264 HydrophobicContact CG2-CE2 4.15Å; T260-Y264 WeakPolarHBondContact O-CD2 3.31Å; T260-Y264 PolarHBondContact O-N 2.89Å; T260-Y264 VanDerWaalsContact O-N 3.12Å; L261-Y264 PolarHBondContact O-N 2.63Å; Y264-T268 WeakPolarHBondContact O-CB 3.47Å; Y264-T268 PolarHBondContact O-N 2.76Å; Y264-T268 PolarHBondContact O-OG1 2.59Å; Y264-I283 HydrophobicContact CD1-CD1 4.48Å; Y264-I283 HydrophobicContact CD2-CD1 3.93Å; Y264-I283 HydrophobicContact CD2-CG1 4.25Å; Y264-I283 HydrophobicContact CE2-CD1 4.34Å; Y264-I283 HydrophobicContact CG-CD1 4Å; Y264-I283 HydrophobicContact CG-CG1 4.46Å
265	Q	98.8	Very high	98.3	Very high	28 Å²	28	46.5 Å²	46.5	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-63.6	-45.6	-179.4	-170.5	-173.6	75.7	0	0	112.1	L261 Q262 T263 T268 K269 F313	L261-Q265 PolarHBondContact O-N 3.26Å; Q262-Q265 WeakPolarHBondContact O-CB 3.39Å; Q262-Q265 PolarHBondContact O-N 3.38Å; Q262-Q265 VanDerWaalsContact O-N 3.11Å; T263-Q265 VanDerWaalsContact C-N 3.29Å; T263-Q265 PolarHBondContact O-N 2.7Å; Q265-T268 WeakPolarHBondContact O-CB 3.1Å; Q265-T268 PolarHBondContact O-N 3.47Å; Q265-K269 WeakPolarHBondContact O-CG 2.98Å; Q265-K269 PolarHBondContact O-N 2.93Å; Q265-F313 VanDerWaalsContact CA-CZ 3.44Å; Q265-F313 HydrophobicContact CB-CD1 3.67Å; Q265-F313 HydrophobicContact CB-CD2 4.22Å; Q265-F313 HydrophobicContact CB-CE1 3.75Å; Q265-F313 HydrophobicContact CB-CE2 4.28Å; Q265-F313 HydrophobicContact CB-CG 3.93Å; Q265-F313 HydrophobicContact CB-CZ 4.08Å; Q265-F313 HydrophobicContact CG-CB 4.24Å; Q265-F313 HydrophobicContact CG-CD1 4.12Å; Q265-F313 HydrophobicContact CG-CD2 3.95Å; Q265-F313 HydrophobicContact CG-CE1 4.5Å; Q265-F313 HydrophobicContact CG-CE2 4.33Å; Q265-F313 HydrophobicContact CG-CG 3.84Å; Q265-F313 VanDerWaalsContact N-CE1 3.32Å
266	D	98.8	Very high	98.2	Very high	75 Å²	75	49.6 Å²	49.6	40%	0.401	27%	0.265	S	S	.	.	H	α-helix	trans	-70	-43.1	-175.9	-67.9	-22	0	0	0	111.7	Q262 T263 T268 K269 E270	Q262-D266 WeakPolarHBondContact CG-OD2 3.15Å; Q262-D266 VanDerWaalsContact NE2-CG 3.26Å; Q262-D266 PolarHBondContact NE2-OD1 3.15Å; Q262-D266 PolarHBondContact NE2-OD2 3.49Å; Q262-D266 VanDerWaalsContact NE2-OD2 3.13Å; Q262-D266 PolarHBondContact O-N 2.81Å; T263-D266 PolarHBondContact O-N 3.03Å; D266-T268 VanDerWaalsContact C-N 3.3Å; D266-T268 PolarHBondContact O-N 3.29Å; D266-K269 WeakPolarHBondContact O-CB 3.32Å; D266-K269 PolarHBondContact O-N 2.75Å; D266-K269 IonicContact OD1-NZ 3.62Å; D266-E270 PolarHBondContact O-N 3.06Å
267	L	98.8	Very high	98.2	Very high	17 Å²	17	47.8 Å²	47.8	9%	0.089	26%	0.256	C	S	.	.	H	α-helix	trans	-63.6	-36.7	174	-67.5	175.5	0	0	0	111.9	R220 Y223 M224 T263 E270 F271	R220-L267 HydrophobicContact CB-CD1 4.02Å; R220-L267 HydrophobicContact CG-CD1 4.14Å; Y223-L267 HydrophobicContact CD1-CB 3.76Å; Y223-L267 HydrophobicContact CD1-CD1 3.92Å; Y223-L267 HydrophobicContact CE1-CB 4.11Å; M224-L267 HydrophobicContact CG-CB 4.49Å; M224-L267 HydrophobicContact CG-CD1 4.4Å; M224-L267 HydrophobicContact CG-CD2 3.95Å; M224-L267 HydrophobicContact SD-CB 3.9Å; M224-L267 HydrophobicContact SD-CD2 4.03Å; M224-L267 HydrophobicContact SD-CG 4.45Å; T263-L267 HydrophobicContact CG2-CD1 3.89Å; T263-L267 HydrophobicContact CG2-CG 4.4Å; T263-L267 WeakPolarHBondContact O-CB 3.36Å; T263-L267 VanDerWaalsContact O-CG 3.28Å; T263-L267 WeakPolarHBondContact O-CG 3.23Å; T263-L267 PolarHBondContact O-N 2.64Å; L267-E270 PolarHBondContact O-N 3.16Å; L267-F271 WeakPolarHBondContact O-CB 3.4Å; L267-F271 PolarHBondContact O-N 3.09Å
268	T	98.8	Very high	98.3	Very high	5 Å²	5	44.9 Å²	44.9	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-61.9	-45.1	173.5	-59	0	0	0	0	111.3	Y223 Y264 Q265 D266 E270 F271 I272 A281 F313	Y223-T268 PolarHBondContact OH-OG1 3.44Å; Y264-T268 WeakPolarHBondContact O-CB 3.47Å; Y264-T268 PolarHBondContact O-N 2.76Å; Y264-T268 PolarHBondContact O-OG1 2.59Å; Q265-T268 WeakPolarHBondContact O-CB 3.1Å; Q265-T268 PolarHBondContact O-N 3.47Å; D266-T268 VanDerWaalsContact C-N 3.3Å; D266-T268 PolarHBondContact O-N 3.29Å; T268-E270 VanDerWaalsContact C-N 3.35Å; T268-F271 PolarHBondContact O-N 2.73Å; T268-I272 HydrophobicContact CG2-CD1 3.94Å; T268-I272 HydrophobicContact CG2-CG1 4.49Å; T268-I272 VanDerWaalsContact O-CG1 3.25Å; T268-I272 WeakPolarHBondContact O-CG1 3.44Å; T268-I272 PolarHBondContact O-N 3.04Å; T268-A281 HydrophobicContact CG2-CB 3.96Å; T268-F313 HydrophobicContact CG2-CE2 4.24Å
269	K	98.6	Very high	98.4	Very high	111 Å²	111	46 Å²	46	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-63.1	-42.3	177.4	-71.4	168.8	-174	158.3	0	111.5	Q265 D266 I272 S273	Q265-K269 WeakPolarHBondContact O-CG 2.98Å; Q265-K269 PolarHBondContact O-N 2.93Å; D266-K269 WeakPolarHBondContact O-CB 3.32Å; D266-K269 PolarHBondContact O-N 2.75Å; D266-K269 IonicContact OD1-NZ 3.62Å; K269-I272 PolarHBondContact O-N 2.97Å; K269-S273 PolarHBondContact O-N 3.22Å
270	E	98.6	Very high	98.4	Very high	110 Å²	110	43.4 Å²	43.4	51%	0.514	23%	0.233	S	C	.	.	H	α-helix	trans	-59.1	-47.2	174.9	-175.8	-179.2	161.3	0	0	111	D266 L267 T268 I272 S273 T274	D266-E270 PolarHBondContact O-N 3.06Å; L267-E270 PolarHBondContact O-N 3.16Å; T268-E270 VanDerWaalsContact C-N 3.35Å; E270-I272 PolarHBondContact O-N 2.94Å; E270-S273 WeakPolarHBondContact O-CB 3.46Å; E270-S273 PolarHBondContact O-N 3.44Å; E270-S273 VanDerWaalsContact O-N 3.16Å; E270-S273 PolarHBondContact O-OG 3.06Å; E270-T274 PolarHBondContact O-N 3.32Å
271	F	98.8	Very high	98.4	Very high	1 Å²	1	43.7 Å²	43.7	0%	0.004	24%	0.236	C	C	.	.	H	α-helix	trans	-61.4	-45.3	178.5	-166.3	-90.9	0	0	0	112.4	M224 L227 N228 Y231 L267 T268 S273 T274 H275 F278	M224-F271 HydrophobicContact CE-CB 4.41Å; M224-F271 HydrophobicContact CE-CD2 3.94Å; M224-F271 HydrophobicContact SD-CB 4.46Å; M224-F271 HydrophobicContact SD-CD2 4.42Å; L227-F271 HydrophobicContact CB-CD1 4.21Å; L227-F271 HydrophobicContact CB-CD2 3.71Å; L227-F271 HydrophobicContact CB-CE1 4.19Å; L227-F271 HydrophobicContact CB-CE2 3.67Å; L227-F271 HydrophobicContact CB-CG 3.98Å; L227-F271 HydrophobicContact CB-CZ 3.93Å; L227-F271 HydrophobicContact CD1-CB 3.71Å; L227-F271 HydrophobicContact CD1-CD1 4.37Å; L227-F271 HydrophobicContact CD1-CD2 4.03Å; L227-F271 HydrophobicContact CD1-CG 3.78Å; L227-F271 HydrophobicContact CG-CG 4.48Å; N228-F271 WeakPolarHBondContact OD1-CE2 3.42Å; Y231-F271 HydrophobicContact CD2-CE1 4.33Å; Y231-F271 HydrophobicContact CG-CE1 4.24Å; Y231-F271 HydrophobicContact CG-CZ 4.15Å; L267-F271 WeakPolarHBondContact O-CB 3.4Å; L267-F271 PolarHBondContact O-N 3.09Å; T268-F271 PolarHBondContact O-N 2.73Å; F271-S273 VanDerWaalsContact C-N 3.26Å; F271-S273 PolarHBondContact O-N 3.25Å; F271-T274 PolarHBondContact O-N 3.01Å; F271-T274 PolarHBondContact O-OG1 3.39Å; F271-H275 HydrophobicContact CD1-CB 4.16Å; F271-H275 AromaticContact CD1-ND1 3.85Å; F271-H275 AromaticContact CD2-ND1 3.92Å; F271-H275 HydrophobicContact CE1-CB 3.9Å; F271-H275 AromaticContact CE1-CG 3.71Å; F271-H275 AromaticContact CE1-ND1 3.67Å; F271-H275 AromaticContact CE2-CE1 3.69Å; F271-H275 AromaticContact CE2-ND1 3.74Å; F271-H275 AromaticContact CG-ND1 3.98Å; F271-H275 AromaticContact CZ-CE1 3.76Å; F271-H275 AromaticContact CZ-CG 3.86Å; F271-H275 AromaticContact CZ-ND1 3.61Å; F271-H275 WeakPolarHBondContact O-CB 3.48Å; F271-H275 PolarHBondContact O-N 2.8Å; F271-H275 PolarHBondContact O-ND1 3.32Å; F271-H275 VanDerWaalsContact O-ND1 3.09Å; F271-F278 HydrophobicContact CD1-CB 4.26Å; F271-F278 AromaticContact CD1-CD1 3.54Å; F271-F278 HydrophobicContact CD1-CD1 3.54Å; F271-F278 AromaticContact CD1-CE1 3.92Å; F271-F278 HydrophobicContact CD1-CE1 3.92Å; F271-F278 AromaticContact CD1-CG 3.87Å; F271-F278 HydrophobicContact CD1-CG 3.87Å; F271-F278 HydrophobicContact CE1-CB 4.09Å; F271-F278 AromaticContact CE1-CD1 3.94Å; F271-F278 HydrophobicContact CE1-CD1 3.94Å; F271-F278 HydrophobicContact CE1-CD2 4.1Å; F271-F278 HydrophobicContact CE1-CE1 4.35Å; F271-F278 AromaticContact CE1-CG 3.78Å; F271-F278 HydrophobicContact CE1-CG 3.78Å
272	I	98.6	Very high	98.4	Very high	58 Å²	58	44.5 Å²	44.5	30%	0.297	24%	0.239	S	C	.	.	H	α-helix	trans	-59.5	-37.6	175.9	-67	164.6	0	0	0	111.2	T268 K269 E270 T274 H275 F278	T268-I272 HydrophobicContact CG2-CD1 3.94Å; T268-I272 HydrophobicContact CG2-CG1 4.49Å; T268-I272 VanDerWaalsContact O-CG1 3.25Å; T268-I272 WeakPolarHBondContact O-CG1 3.44Å; T268-I272 PolarHBondContact O-N 3.04Å; K269-I272 PolarHBondContact O-N 2.97Å; E270-I272 PolarHBondContact O-N 2.94Å; I272-T274 PolarHBondContact O-N 3.18Å; I272-H275 CarbonylContact O-C 3.59Å; I272-H275 VanDerWaalsContact O-C 3.25Å; I272-H275 PolarHBondContact O-N 3.42Å; I272-F278 HydrophobicContact CG1-CD1 3.94Å
273	S	98.4	Very high	98.4	Very high	92 Å²	92	41.4 Å²	41.4	64%	0.643	22%	0.224	S	C	*	.	H	α-helix	trans	-62.5	-26.7	-179.1	80.7	0	0	0	0	113.3	K269 E270 F271	K269-S273 PolarHBondContact O-N 3.22Å; E270-S273 WeakPolarHBondContact O-CB 3.46Å; E270-S273 PolarHBondContact O-N 3.44Å; E270-S273 VanDerWaalsContact O-N 3.16Å; E270-S273 PolarHBondContact O-OG 3.06Å; F271-S273 VanDerWaalsContact C-N 3.26Å; F271-S273 PolarHBondContact O-N 3.25Å
274	T	97.9	Very high	98.4	Very high	91 Å²	91	40.9 Å²	40.9	56%	0.558	22%	0.221	S	C	*	.	H	α-helix	trans	-101.4	-16.9	177.8	52.8	0	0	0	0	113.1	E270 F271 I272	E270-T274 PolarHBondContact O-N 3.32Å; F271-T274 PolarHBondContact O-N 3.01Å; F271-T274 PolarHBondContact O-OG1 3.39Å; I272-T274 PolarHBondContact O-N 3.18Å
275	H	98.4	Very high	98.4	Very high	41 Å²	41	41.1 Å²	41.1	19%	0.19	22%	0.222	C	C	.	.			trans	-128.6	76.4	-180	-57.1	85.1	0	0	0	110.5	Y231 F271 I272 D277 F278	Y231-H275 AromaticContact CD1-CD2 3.86Å; Y231-H275 AromaticContact CE1-CD2 3.48Å; Y231-H275 VanDerWaalsContact CE1-CD2 3.48Å; Y231-H275 WeakPolarHBondContact CE1-CD2 3.26Å; Y231-H275 HydrophobicContact CE2-CB 4.13Å; Y231-H275 AromaticContact CZ-CD2 3.69Å; F271-H275 HydrophobicContact CD1-CB 4.16Å; F271-H275 AromaticContact CD1-ND1 3.85Å; F271-H275 AromaticContact CD2-ND1 3.92Å; F271-H275 HydrophobicContact CE1-CB 3.9Å; F271-H275 AromaticContact CE1-CG 3.71Å; F271-H275 AromaticContact CE1-ND1 3.67Å; F271-H275 AromaticContact CE2-CE1 3.69Å; F271-H275 AromaticContact CE2-ND1 3.74Å; F271-H275 AromaticContact CG-ND1 3.98Å; F271-H275 AromaticContact CZ-CE1 3.76Å; F271-H275 AromaticContact CZ-CG 3.86Å; F271-H275 AromaticContact CZ-ND1 3.61Å; F271-H275 WeakPolarHBondContact O-CB 3.48Å; F271-H275 PolarHBondContact O-N 2.8Å; F271-H275 PolarHBondContact O-ND1 3.32Å; F271-H275 VanDerWaalsContact O-ND1 3.09Å; I272-H275 CarbonylContact O-C 3.59Å; I272-H275 VanDerWaalsContact O-C 3.25Å; I272-H275 PolarHBondContact O-N 3.42Å; H275-D277 PolarHBondContact O-N 2.98Å; H275-F278 HydrophobicContact CB-CB 3.97Å; H275-F278 WeakPolarHBondContact O-CB 3.48Å; H275-F278 PolarHBondContact O-N 3.36Å
276	P	96.3	Very high	98.4	Very high	111 Å²	111	39.9 Å²	39.9	72%	0.721	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-9	-171.9	26.9	-36.2	0	0	0	114.6
277	D	96.9	Very high	98.4	Very high	41 Å²	41	37.6 Å²	37.6	22%	0.219	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	9.1	172.6	73.5	-35.4	0	0	0	113.6	Y231 H275 L491 K495	Y231-D277 VanDerWaalsContact CE2-OD1 3.28Å; Y231-D277 WeakPolarHBondContact CE2-OD1 3.36Å; Y231-D277 PolarHBondContact OH-OD1 3.42Å; Y231-D277 PolarHBondContact OH-OD2 3.46Å; H275-D277 PolarHBondContact O-N 2.98Å; D277-L491 HydrophobicContact CB-CD1 3.99Å; D277-K495 HydrophobicContact CB-CD 4.46Å; D277-K495 IonicContact OD2-NZ 3.62Å; D277-K495 PolarHBondContact OD2-NZ 3.36Å
278	F	98.6	Very high	98.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	21%	0.213	C	C	.	.			trans	-94.8	123	161.8	-174	-102.6	0	0	0	108.9	L227 Y231 M236 L238 F271 I272 H275 G280	L227-F278 HydrophobicContact CD2-CE1 4.05Å; L227-F278 HydrophobicContact CD2-CZ 3.66Å; Y231-F278 HydrophobicContact CD2-CB 4.01Å; Y231-F278 AromaticContact CD2-CD2 3.98Å; Y231-F278 HydrophobicContact CD2-CD2 3.98Å; Y231-F278 HydrophobicContact CD2-CG 4.4Å; Y231-F278 HydrophobicContact CE2-CB 4.13Å; M236-F278 WeakPolarHBondContact O-CD2 3.48Å; L238-F278 HydrophobicContact CD1-CE2 3.67Å; L238-F278 HydrophobicContact CD1-CZ 3.7Å; F271-F278 HydrophobicContact CD1-CB 4.26Å; F271-F278 AromaticContact CD1-CD1 3.54Å; F271-F278 HydrophobicContact CD1-CD1 3.54Å; F271-F278 AromaticContact CD1-CE1 3.92Å; F271-F278 HydrophobicContact CD1-CE1 3.92Å; F271-F278 AromaticContact CD1-CG 3.87Å; F271-F278 HydrophobicContact CD1-CG 3.87Å; F271-F278 HydrophobicContact CE1-CB 4.09Å; F271-F278 AromaticContact CE1-CD1 3.94Å; F271-F278 HydrophobicContact CE1-CD1 3.94Å; F271-F278 HydrophobicContact CE1-CD2 4.1Å; F271-F278 HydrophobicContact CE1-CE1 4.35Å; F271-F278 AromaticContact CE1-CG 3.78Å; F271-F278 HydrophobicContact CE1-CG 3.78Å; I272-F278 HydrophobicContact CG1-CD1 3.94Å; H275-F278 HydrophobicContact CB-CB 3.97Å; H275-F278 WeakPolarHBondContact O-CB 3.48Å; H275-F278 PolarHBondContact O-N 3.36Å; F278-G280 VanDerWaalsContact CE1-CA 3.5Å; F278-G280 WeakPolarHBondContact CE1-O 3.42Å; F278-G280 WeakPolarHBondContact CZ-O 3.39Å
279	Y	98.6	Very high	98.3	Very high	47 Å²	47	39.4 Å²	39.4	18%	0.184	21%	0.211	C	C	.	.			trans	-78.6	-33.6	-173	-166.7	-91.9	0	0	0	112.8	M236 Y237 L480 Q484 E487 A488 L491	M236-Y279 HydrophobicContact CE-CD2 4.4Å; M236-Y279 HydrophobicContact CE-CG 4.41Å; M236-Y279 WeakPolarHBondContact O-CA 3.48Å; M236-Y279 VanDerWaalsContact O-CB 3.27Å; M236-Y279 WeakPolarHBondContact O-CB 3.28Å; M236-Y279 PolarHBondContact O-N 2.96Å; Y237-Y279 AromaticContact CD2-CD1 3.86Å; Y237-Y279 HydrophobicContact CD2-CD1 3.86Å; Y237-Y279 HydrophobicContact CE2-CD1 4.4Å; Y237-Y279 HydrophobicContact CG-CD1 4.44Å; Y279-L480 HydrophobicContact CD1-CD1 3.78Å; Y279-L480 HydrophobicContact CD1-CD2 4.27Å; Y279-L480 HydrophobicContact CE1-CD1 3.4Å; Y279-L480 VanDerWaalsContact CE1-CD1 3.4Å; Y279-L480 HydrophobicContact CE1-CD2 3.63Å; Y279-L480 HydrophobicContact CE1-CG 4.15Å; Y279-Q484 HydrophobicContact CE1-CB 4.4Å; Y279-Q484 WeakPolarHBondContact OH-CA 3.39Å; Y279-Q484 WeakPolarHBondContact OH-CB 3.35Å; Y279-Q484 VanDerWaalsContact OH-CG 3.3Å; Y279-Q484 WeakPolarHBondContact OH-CG 3.2Å; Y279-Q484 PolarHBondContact OH-O 2.88Å; Y279-E487 HydrophobicContact CE2-CB 4.08Å; Y279-A488 HydrophobicContact CD1-CB 4.27Å; Y279-A488 HydrophobicContact CD2-CB 3.68Å; Y279-A488 HydrophobicContact CE1-CB 4.28Å; Y279-A488 HydrophobicContact CE2-CB 3.67Å; Y279-A488 HydrophobicContact CG-CB 4Å; Y279-L491 HydrophobicContact CD2-CD2 4.38Å
280	G	98.4	Very high	98.2	Very high	4 Å²	4	37.6 Å²	37.6	4%	0.041	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	138.4	-156.8	174.3	0	0	0	0	0	114.2	M236 Y237 L238 F278	M236-G280 PolarHBondContact O-N 3.29Å; Y237-G280 VanDerWaalsContact CA-O 3.3Å; Y237-G280 WeakPolarHBondContact CA-O 3.41Å; Y237-G280 WeakPolarHBondContact CD2-O 3.24Å; L238-G280 PolarHBondContact N-O 3.36Å; L238-G280 VanDerWaalsContact N-O 3.17Å; F278-G280 VanDerWaalsContact CE1-CA 3.5Å; F278-G280 WeakPolarHBondContact CE1-O 3.42Å; F278-G280 WeakPolarHBondContact CZ-O 3.39Å
281	A	98.7	Very high	98.2	Very high	7 Å²	7	33.3 Å²	33.3	6%	0.058	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	161.9	-179.9	0	0	0	0	0	111.3	Y223 L238 L240 T268 F313	Y223-A281 WeakPolarHBondContact OH-CB 3.29Å; L238-A281 HydrophobicContact CB-CB 4.06Å; L238-A281 CarbonylContact O-C 3.59Å; L238-A281 WeakPolarHBondContact O-CA 3.3Å; L240-A281 HydrophobicContact CD1-CB 3.85Å; T268-A281 HydrophobicContact CG2-CB 3.96Å; A281-F313 VanDerWaalsContact O-CD2 3.28Å; A281-F313 WeakPolarHBondContact O-CD2 3.34Å; A281-F313 WeakPolarHBondContact O-CE2 3.46Å
282	R	98.8	Very high	98.2	Very high	17 Å²	17	40.7 Å²	40.7	6%	0.064	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.8	168.3	-72.5	-167	173.9	166.9	3.9	111.7	Y237 L238 E239 L240 D312 F313 A315 A479	Y237-R282 HydrophobicContact CE2-CG 4.4Å; Y237-R282 VanDerWaalsContact OH-CD 3.3Å; Y237-R282 WeakPolarHBondContact OH-CD 3.39Å; Y237-R282 VanDerWaalsContact OH-CG 3.28Å; Y237-R282 WeakPolarHBondContact OH-CG 3.31Å; L238-R282 PolarHBondContact O-N 3.46Å; E239-R282 WeakPolarHBondContact CA-O 3.26Å; E239-R282 HydrophobicContact CG-CB 4.39Å; L240-R282 VanDerWaalsContact CD1-O 3.24Å; L240-R282 WeakPolarHBondContact CD1-O 3.35Å; L240-R282 PolarHBondContact N-O 3.35Å; R282-D312 PolarHBondContact NE-O 2.87Å; R282-F313 CarbonylContact C-O 3.59Å; R282-F313 VanDerWaalsContact CA-O 3.31Å; R282-F313 WeakPolarHBondContact CA-O 3.39Å; R282-F313 WeakPolarHBondContact CB-O 3.29Å; R282-A315 HydrophobicContact CB-CB 4.17Å; R282-A479 PolarHBondContact NH1-O 3.45Å
283	I	98.8	Very high	98.1	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	133.5	-178.9	-55.5	-58.9	0	0	0	110.8	L240 A242 L244 L261 Y264 F313 L314 A315	L240-I283 HydrophobicContact CB-CD1 3.98Å; L240-I283 HydrophobicContact CD1-CD1 3.93Å; L240-I283 HydrophobicContact CG-CD1 4.38Å; L240-I283 CarbonylContact O-C 3.53Å; A242-I283 HydrophobicContact CB-CG2 3.71Å; L244-I283 HydrophobicContact CD2-CG2 4.15Å; L261-I283 HydrophobicContact CD1-CB 3.72Å; L261-I283 HydrophobicContact CD1-CG1 3.6Å; L261-I283 HydrophobicContact CD1-CG2 4.11Å; Y264-I283 HydrophobicContact CD1-CD1 4.48Å; Y264-I283 HydrophobicContact CD2-CD1 3.93Å; Y264-I283 HydrophobicContact CD2-CG1 4.25Å; Y264-I283 HydrophobicContact CE2-CD1 4.34Å; Y264-I283 HydrophobicContact CG-CD1 4Å; Y264-I283 HydrophobicContact CG-CG1 4.46Å; I283-F313 HydrophobicContact CD1-CE1 4.34Å; I283-F313 HydrophobicContact CG1-CD1 4.1Å; I283-F313 HydrophobicContact CG1-CE1 3.51Å; I283-F313 HydrophobicContact CG1-CZ 4.12Å; I283-F313 PolarHBondContact N-O 3Å; I283-L314 HydrophobicContact CB-CD1 4.31Å; I283-L314 HydrophobicContact CG2-CD1 4.26Å; I283-L314 CarbonylContact O-C 3.54Å; I283-L314 WeakPolarHBondContact O-CA 3.49Å; I283-L314 WeakPolarHBondContact O-CD1 3.47Å; I283-A315 PolarHBondContact O-N 3.36Å
284	I	98.9	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.2	166.1	-63.2	164.2	0	0	0	105.6	E239 L240 R241 A242 T286 A315 D318 F349	E239-I284 HydrophobicContact CB-CD1 4.23Å; L240-I284 PolarHBondContact O-N 3.08Å; R241-I284 WeakPolarHBondContact CA-O 3.29Å; R241-I284 HydrophobicContact CG-CG2 4.43Å; A242-I284 PolarHBondContact N-O 2.96Å; I284-T286 WeakPolarHBondContact O-CG2 3.25Å; I284-T286 PolarHBondContact O-N 2.99Å; I284-A315 HydrophobicContact CG1-CB 3.89Å; I284-D318 HydrophobicContact CG2-CB 3.66Å; I284-F349 HydrophobicContact CB-CD2 4.5Å; I284-F349 HydrophobicContact CD1-CB 3.94Å; I284-F349 HydrophobicContact CD1-CD1 4.07Å; I284-F349 HydrophobicContact CD1-CD2 3.81Å; I284-F349 HydrophobicContact CD1-CE2 4.33Å; I284-F349 HydrophobicContact CD1-CG 3.65Å; I284-F349 HydrophobicContact CG1-CD2 3.78Å; I284-F349 HydrophobicContact CG1-CE2 4.12Å; I284-F349 HydrophobicContact CG1-CG 4.17Å; I284-F349 HydrophobicContact CG2-CB 4.15Å; I284-F349 HydrophobicContact CG2-CD2 3.92Å; I284-F349 HydrophobicContact CG2-CG 4.36Å
285	F	98.8	Very high	98.2	Very high	6 Å²	6	39 Å²	39	3%	0.026	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	130.4	-179	174	-144	0	0	0	109.9	A242 L243 L244 A299 K302 A303 L314 G316 F317 D318	A242-F285 WeakPolarHBondContact O-CA 3.48Å; L243-F285 WeakPolarHBondContact O-CE2 3.24Å; L244-F285 HydrophobicContact CB-CD2 4.12Å; L244-F285 HydrophobicContact CB-CE2 4.2Å; L244-F285 HydrophobicContact CD1-CB 4.12Å; L244-F285 HydrophobicContact CD1-CD2 3.7Å; L244-F285 HydrophobicContact CD1-CE2 4.36Å; L244-F285 HydrophobicContact CD1-CG 3.95Å; L244-F285 HydrophobicContact CG-CD2 3.9Å; L244-F285 HydrophobicContact CG-CE2 4.47Å; F285-A299 HydrophobicContact CE1-CB 4.24Å; F285-A299 WeakPolarHBondContact CE1-O 3.04Å; F285-A299 HydrophobicContact CZ-CB 4.3Å; F285-K302 HydrophobicContact CE1-CB 4.31Å; F285-K302 HydrophobicContact CE1-CG 4.35Å; F285-A303 HydrophobicContact CD1-CB 3.78Å; F285-A303 HydrophobicContact CE1-CB 4.41Å; F285-L314 HydrophobicContact CB-CD1 3.96Å; F285-G316 PolarHBondContact N-O 3.48Å; F285-F317 HydrophobicContact CB-CD2 4.37Å; F285-F317 AromaticContact CD1-CD2 3.86Å; F285-F317 HydrophobicContact CD1-CD2 3.86Å; F285-F317 AromaticContact CD1-CE2 3.97Å; F285-F317 HydrophobicContact CD1-CE2 3.97Å; F285-F317 HydrophobicContact CE1-CD2 4.44Å; F285-F317 HydrophobicContact CE1-CE2 4.12Å; F285-F317 HydrophobicContact CG-CD2 4.25Å; F285-F317 HydrophobicContact CG-CE2 4.45Å; F285-F317 CarbonylContact O-C 3.41Å; F285-F317 WeakPolarHBondContact O-CA 3.4Å; F285-F317 WeakPolarHBondContact O-CD2 3.35Å; F285-D318 PolarHBondContact O-N 2.98Å
286	T	98.6	Very high	98.2	Very high	1 Å²	1	37 Å²	37	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	155	-176.4	68.7	0	0	0	0	112.6	R241 A242 L243 I284 D318 V320	R241-T286 HydrophobicContact CB-CG2 3.53Å; R241-T286 HydrophobicContact CG-CG2 3.54Å; A242-T286 PolarHBondContact O-N 2.9Å; A242-T286 PolarHBondContact O-OG1 2.68Å; L243-T286 WeakPolarHBondContact CD2-OG1 3.33Å; L243-T286 PolarHBondContact N-OG1 3.21Å; I284-T286 WeakPolarHBondContact O-CG2 3.25Å; I284-T286 PolarHBondContact O-N 2.99Å; T286-D318 VanDerWaalsContact CA-O 3.31Å; T286-D318 WeakPolarHBondContact CA-O 3.17Å; T286-D318 HydrophobicContact CG2-CB 3.96Å; T286-V320 HydrophobicContact CG2-CG1 3.77Å
287	N	98.3	Very high	98.3	Very high	28 Å²	28	33 Å²	33	15%	0.15	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	153.3	162.5	-164.1	32.7	0	0	0	110.2	V296 A299 F317 D318 L319 V320	N287-V296 WeakPolarHBondContact ND2-CG2 3.26Å; N287-A299 HydrophobicContact CB-CB 4.03Å; N287-F317 HydrophobicContact CB-CE2 4.36Å; N287-F317 HydrophobicContact CB-CZ 3.92Å; N287-D318 PolarHBondContact N-O 3.12Å; N287-L319 HydrophobicContact CB-CD2 4.3Å; N287-L319 WeakPolarHBondContact O-CA 3.32Å; N287-L319 WeakPolarHBondContact O-CD2 3.21Å; N287-V320 PolarHBondContact O-N 3.02Å
288	H	97.7	Very high	98.4	Very high	58 Å²	58	36.1 Å²	36.1	27%	0.269	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.9	-176.9	-168.6	-110.1	0	0	0	111.4	E203 H290 A291 V320	E203-H288 IonicContact OE1-NE2 3.71Å; H288-H290 AromaticContact CE1-CE1 3.96Å; H288-H290 AromaticContact CE1-CG 3.46Å; H288-H290 VanDerWaalsContact CE1-CG 3.46Å; H288-H290 AromaticContact CE1-ND1 2.97Å; H288-H290 PolarHBondContact CE1-ND1 3.11Å; H288-H290 WeakPolarHBondContact ND1-CB 3.39Å; H288-H290 AromaticContact ND1-CG 3.85Å; H288-H290 PolarHBondContact ND1-N 2.99Å; H288-H290 AromaticContact ND1-ND1 3.63Å; H288-H290 AromaticContact NE2-ND1 3.57Å; H288-H290 PolarHBondContact O-N 3.08Å; H288-H290 VanDerWaalsContact O-N 3.14Å; H288-A291 WeakPolarHBondContact O-CB 3.39Å; H288-A291 PolarHBondContact O-N 3.36Å; H288-V320 PolarHBondContact CD2-O 3.24Å
289	R	97.8	Very high	98.3	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.4	-175.1	73.9	-166.5	-48.5	163.1	2.9	114.9	A291 L319 V320 G321 E323 K327 N365	R289-A291 VanDerWaalsContact C-N 3.29Å; R289-L319 HydrophobicContact CB-CB 4.35Å; R289-V320 WeakPolarHBondContact CG-O 3.26Å; R289-V320 PolarHBondContact N-O 2.92Å; R289-G321 WeakPolarHBondContact CD-O 3.12Å; R289-E323 IonicContact CZ-OE1 2.74Å; R289-E323 VanDerWaalsContact NH1-CD 3.25Å; R289-E323 VanDerWaalsContact NH1-CG 3.27Å; R289-E323 IonicContact NH1-OE1 3.1Å; R289-E323 PolarHBondContact NH1-OE1 2.94Å; R289-E323 VanDerWaalsContact NH1-OE1 3.16Å; R289-E323 IonicContact NH2-OE1 3.77Å; R289-E323 PolarHBondContact NH2-OE1 3.09Å; R289-K327 PolarHBondContact NE-O 2.87Å; R289-K327 WeakPolarHBondContact O-CB 3.37Å; R289-K327 PolarHBondContact O-N 2.79Å; R289-N365 PolarHBondContact NH2-ND2 3.12Å; R289-N365 VanDerWaalsContact NH2-ND2 3.16Å
290	H	96.9	Very high	98.4	Very high	74 Å²	74	34.2 Å²	34.2	34%	0.343	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-6.8	169.1	-60.9	72.9	0	0	0	112.9	H288 R322 Q325 K327	H288-H290 AromaticContact CE1-CE1 3.96Å; H288-H290 AromaticContact CE1-CG 3.46Å; H288-H290 VanDerWaalsContact CE1-CG 3.46Å; H288-H290 AromaticContact CE1-ND1 2.97Å; H288-H290 PolarHBondContact CE1-ND1 3.11Å; H288-H290 WeakPolarHBondContact ND1-CB 3.39Å; H288-H290 AromaticContact ND1-CG 3.85Å; H288-H290 PolarHBondContact ND1-N 2.99Å; H288-H290 AromaticContact ND1-ND1 3.63Å; H288-H290 AromaticContact NE2-ND1 3.57Å; H288-H290 PolarHBondContact O-N 3.08Å; H288-H290 VanDerWaalsContact O-N 3.14Å; H290-R322 PolarHBondContact CE1-O 3.48Å; H290-R322 VanDerWaalsContact CE1-O 3.3Å; H290-Q325 PolarHBondContact NE2-O 3.05Å; H290-K327 PolarHBondContact O-NZ 3.34Å
291	A	97.8	Very high	98.3	Very high	20 Å²	20	37.8 Å²	37.8	17%	0.165	20%	0.195	C	C	.	.	S	Bend	trans	-61.7	159.9	176.3	0	0	0	0	0	112.4	H288 R289 V295 V296 K327	H288-A291 WeakPolarHBondContact O-CB 3.39Å; H288-A291 PolarHBondContact O-N 3.36Å; R289-A291 VanDerWaalsContact C-N 3.29Å; A291-V295 HydrophobicContact CB-CB 4.19Å; A291-V295 HydrophobicContact CB-CG1 4.16Å; A291-V296 HydrophobicContact CB-CG2 4.11Å; A291-K327 PolarHBondContact O-NZ 3.08Å
292	K	98.1	Very high	98.3	Very high	155 Å²	155	40.1 Å²	40.1	67%	0.674	20%	0.204	S	C	*	.			trans	-70	151.6	174.4	-62.7	-179.3	-177.9	177.5	0	109.7	S294 V295 V296	K292-S294 PolarHBondContact O-N 3.13Å; K292-V295 HydrophobicContact CB-CG2 4.23Å; K292-V295 WeakPolarHBondContact O-CB 3.35Å; K292-V295 PolarHBondContact O-N 3.3Å; K292-V296 PolarHBondContact O-N 3.28Å; K292-V296 VanDerWaalsContact O-N 3.13Å
293	L	98.2	Very high	98.3	Very high	59 Å²	59	39.3 Å²	39.3	31%	0.309	20%	0.201	S	C	.	.	H	α-helix	trans	-49.4	-45.8	175.3	178	59.6	0	0	0	112	V295 V296 T297 Y331 F332 A335	L293-V295 VanDerWaalsContact C-N 3.29Å; L293-V295 PolarHBondContact O-N 2.87Å; L293-V296 PolarHBondContact O-N 2.87Å; L293-T297 WeakPolarHBondContact O-CB 3.42Å; L293-T297 PolarHBondContact O-N 3.24Å; L293-T297 PolarHBondContact O-OG1 3.21Å; L293-T297 VanDerWaalsContact O-OG1 3.07Å; L293-Y331 HydrophobicContact CB-CE1 4.02Å; L293-F332 HydrophobicContact CD1-CD1 3.73Å; L293-F332 HydrophobicContact CD1-CE1 4.48Å; L293-A335 HydrophobicContact CD1-CB 3.91Å
294	S	98.3	Very high	98.3	Very high	75 Å²	75	41.1 Å²	41.1	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-58.5	-37.8	178.2	56.1	0	0	0	0	113.6	K292 T297 E298	K292-S294 PolarHBondContact O-N 3.13Å; S294-T297 PolarHBondContact O-N 3.47Å; S294-E298 WeakPolarHBondContact O-CG 3.11Å; S294-E298 PolarHBondContact O-N 3.05Å; S294-E298 VanDerWaalsContact O-N 3.1Å
295	V	98.3	Very high	98.2	Very high	71 Å²	71	45.3 Å²	45.3	43%	0.43	23%	0.23	S	C	.	.	H	α-helix	trans	-70.1	-42.8	178.9	179.4	0	0	0	0	110.3	A291 K292 L293 E298 A299	A291-V295 HydrophobicContact CB-CB 4.19Å; A291-V295 HydrophobicContact CB-CG1 4.16Å; K292-V295 HydrophobicContact CB-CG2 4.23Å; K292-V295 WeakPolarHBondContact O-CB 3.35Å; K292-V295 PolarHBondContact O-N 3.3Å; L293-V295 VanDerWaalsContact C-N 3.29Å; L293-V295 PolarHBondContact O-N 2.87Å; V295-E298 PolarHBondContact O-N 2.85Å; V295-A299 WeakPolarHBondContact O-CB 3.19Å; V295-A299 PolarHBondContact O-N 2.8Å
296	V	98.6	Very high	98.2	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.8	-40.9	175.4	175.9	0	0	0	0	111.1	N287 A291 K292 L293 E298 A299 V300 L319 F332 A335	N287-V296 WeakPolarHBondContact ND2-CG2 3.26Å; A291-V296 HydrophobicContact CB-CG2 4.11Å; K292-V296 PolarHBondContact O-N 3.28Å; K292-V296 VanDerWaalsContact O-N 3.13Å; L293-V296 PolarHBondContact O-N 2.87Å; V296-E298 VanDerWaalsContact C-N 3.35Å; V296-E298 PolarHBondContact O-N 3.29Å; V296-A299 WeakPolarHBondContact O-CB 3.2Å; V296-A299 PolarHBondContact O-N 3.07Å; V296-A299 VanDerWaalsContact O-N 3.14Å; V296-V300 HydrophobicContact CG1-CG2 4.37Å; V296-V300 WeakPolarHBondContact O-CG2 3.44Å; V296-V300 PolarHBondContact O-N 3.13Å; V296-L319 HydrophobicContact CG1-CD2 4.09Å; V296-L319 HydrophobicContact CG2-CD2 4.2Å; V296-F332 HydrophobicContact CB-CD1 3.86Å; V296-F332 HydrophobicContact CB-CE1 3.9Å; V296-F332 HydrophobicContact CG1-CB 4.48Å; V296-F332 HydrophobicContact CG1-CD1 3.93Å; V296-F332 HydrophobicContact CG1-CE1 4.37Å; V296-F332 HydrophobicContact CG1-CG 4.21Å; V296-F332 HydrophobicContact CG2-CD1 3.9Å; V296-F332 HydrophobicContact CG2-CE1 3.47Å; V296-F332 VanDerWaalsContact CG2-CE1 3.47Å; V296-F332 HydrophobicContact CG2-CE2 4.47Å; V296-F332 HydrophobicContact CG2-CZ 3.78Å; V296-A335 HydrophobicContact CG1-CB 4.36Å
297	T	98.7	Very high	98.1	Very high	27 Å²	27	46.5 Å²	46.5	17%	0.166	24%	0.235	C	C	.	.	H	α-helix	trans	-56.4	-46.6	174.3	-66.5	0	0	0	0	112.2	L293 S294 V300 K301 A335 L338	L293-T297 WeakPolarHBondContact O-CB 3.42Å; L293-T297 PolarHBondContact O-N 3.24Å; L293-T297 PolarHBondContact O-OG1 3.21Å; L293-T297 VanDerWaalsContact O-OG1 3.07Å; S294-T297 PolarHBondContact O-N 3.47Å; T297-V300 PolarHBondContact O-N 3.19Å; T297-K301 WeakPolarHBondContact O-CG 3.43Å; T297-K301 PolarHBondContact O-N 3.1Å; T297-K301 VanDerWaalsContact O-N 3.12Å; T297-A335 WeakPolarHBondContact OG1-CB 3.21Å; T297-L338 HydrophobicContact CG2-CD1 3.75Å
298	E	98.5	Very high	98.1	Very high	107 Å²	107	52.9 Å²	52.9	50%	0.5	26%	0.262	S	S	.	.	H	α-helix	trans	-68	-36.2	176.2	-66.4	-48.2	123	0	0	112.1	S294 V295 V296 K301 K302	S294-E298 WeakPolarHBondContact O-CG 3.11Å; S294-E298 PolarHBondContact O-N 3.05Å; S294-E298 VanDerWaalsContact O-N 3.1Å; V295-E298 PolarHBondContact O-N 2.85Å; V296-E298 VanDerWaalsContact C-N 3.35Å; V296-E298 PolarHBondContact O-N 3.29Å; E298-K301 PolarHBondContact O-N 3.34Å; E298-K301 IonicContact OE1-NZ 3.21Å; E298-K301 PolarHBondContact OE1-NZ 3.17Å; E298-K301 IonicContact OE2-NZ 2.59Å; E298-K302 WeakPolarHBondContact O-CB 3Å; E298-K302 PolarHBondContact O-N 3.01Å
299	A	98.4	Very high	98	Very high	9 Å²	9	54 Å²	54	7%	0.074	27%	0.27	C	S	.	.	H	α-helix	trans	-62.1	-43.2	174.3	0	0	0	0	0	111.9	F285 N287 V295 V296 K301 K302 A303 F317	F285-A299 HydrophobicContact CE1-CB 4.24Å; F285-A299 WeakPolarHBondContact CE1-O 3.04Å; F285-A299 HydrophobicContact CZ-CB 4.3Å; N287-A299 HydrophobicContact CB-CB 4.03Å; V295-A299 WeakPolarHBondContact O-CB 3.19Å; V295-A299 PolarHBondContact O-N 2.8Å; V296-A299 WeakPolarHBondContact O-CB 3.2Å; V296-A299 PolarHBondContact O-N 3.07Å; V296-A299 VanDerWaalsContact O-N 3.14Å; A299-K301 PolarHBondContact O-N 3.27Å; A299-K302 CarbonylContact O-C 3.52Å; A299-K302 PolarHBondContact O-N 3.19Å; A299-A303 WeakPolarHBondContact O-CB 3.21Å; A299-A303 PolarHBondContact O-N 2.96Å; A299-F317 HydrophobicContact CB-CE2 3.97Å; A299-F317 HydrophobicContact CB-CZ 4.08Å
300	V	98.7	Very high	98.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-44	175.7	173.1	0	0	0	0	111	V296 T297 K302 A303 M304 F317 L336 P339 L346	V296-V300 HydrophobicContact CG1-CG2 4.37Å; V296-V300 WeakPolarHBondContact O-CG2 3.44Å; V296-V300 PolarHBondContact O-N 3.13Å; T297-V300 PolarHBondContact O-N 3.19Å; V300-K302 VanDerWaalsContact C-N 3.31Å; V300-K302 PolarHBondContact O-N 2.89Å; V300-A303 WeakPolarHBondContact O-CB 3.24Å; V300-A303 PolarHBondContact O-N 2.81Å; V300-M304 HydrophobicContact CG1-SD 4.48Å; V300-M304 WeakPolarHBondContact O-CG 3.1Å; V300-M304 PolarHBondContact O-N 3.09Å; V300-F317 HydrophobicContact CG2-CD1 4.37Å; V300-F317 HydrophobicContact CG2-CE1 4.01Å; V300-F317 HydrophobicContact CG2-CZ 4.22Å; V300-L336 HydrophobicContact CG2-CD2 4.08Å; V300-P339 HydrophobicContact CG1-CG 3.83Å; V300-L346 HydrophobicContact CG1-CD2 4.1Å
301	K	98.4	Very high	98	Very high	78 Å²	78	55 Å²	55	34%	0.339	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-42.1	174.8	-69.4	171.8	-172.7	170.3	0	111.7	T297 E298 A299 M304 Q305	T297-K301 WeakPolarHBondContact O-CG 3.43Å; T297-K301 PolarHBondContact O-N 3.1Å; T297-K301 VanDerWaalsContact O-N 3.12Å; E298-K301 PolarHBondContact O-N 3.34Å; E298-K301 IonicContact OE1-NZ 3.21Å; E298-K301 PolarHBondContact OE1-NZ 3.17Å; E298-K301 IonicContact OE2-NZ 2.59Å; A299-K301 PolarHBondContact O-N 3.27Å; K301-M304 PolarHBondContact O-N 3.43Å; K301-Q305 PolarHBondContact O-N 2.94Å; K301-Q305 VanDerWaalsContact O-N 3.13Å
302	K	98.3	Very high	97.8	Very high	56 Å²	56	59.3 Å²	59.3	24%	0.243	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-40.2	175.9	-175.4	63	173.2	-177.8	0	111.3	F285 E298 A299 V300 M304 Q305 L306	F285-K302 HydrophobicContact CE1-CB 4.31Å; F285-K302 HydrophobicContact CE1-CG 4.35Å; E298-K302 WeakPolarHBondContact O-CB 3Å; E298-K302 PolarHBondContact O-N 3.01Å; A299-K302 CarbonylContact O-C 3.52Å; A299-K302 PolarHBondContact O-N 3.19Å; V300-K302 VanDerWaalsContact C-N 3.31Å; V300-K302 PolarHBondContact O-N 2.89Å; K302-M304 VanDerWaalsContact C-N 3.35Å; K302-M304 PolarHBondContact O-N 3.5Å; K302-Q305 PolarHBondContact O-N 2.81Å; K302-L306 HydrophobicContact CD-CD1 4.44Å; K302-L306 HydrophobicContact CD-CG 4.26Å; K302-L306 HydrophobicContact CG-CD1 4.03Å; K302-L306 HydrophobicContact CG-CG 4.28Å; K302-L306 WeakPolarHBondContact O-CB 3.46Å; K302-L306 WeakPolarHBondContact O-CG 3.19Å; K302-L306 PolarHBondContact O-N 3.15Å
303	A	98.5	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-58.8	-45.5	174.9	0	0	0	0	0	111.4	F285 A299 V300 Q305 L306 Q307 F317 L346	F285-A303 HydrophobicContact CD1-CB 3.78Å; F285-A303 HydrophobicContact CE1-CB 4.41Å; A299-A303 WeakPolarHBondContact O-CB 3.21Å; A299-A303 PolarHBondContact O-N 2.96Å; V300-A303 WeakPolarHBondContact O-CB 3.24Å; V300-A303 PolarHBondContact O-N 2.81Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 2.79Å; A303-L306 PolarHBondContact O-N 3.21Å; A303-Q307 VanDerWaalsContact O-CB 3.29Å; A303-Q307 WeakPolarHBondContact O-CB 3.44Å; A303-Q307 PolarHBondContact O-N 2.72Å; A303-F317 HydrophobicContact CB-CB 4.25Å; A303-F317 HydrophobicContact CB-CD2 3.7Å; A303-F317 HydrophobicContact CB-CE2 4.47Å; A303-F317 HydrophobicContact CB-CG 4.29Å; A303-L346 HydrophobicContact CB-CD1 4.09Å; A303-L346 HydrophobicContact CB-CD2 3.91Å
304	M	98.3	Very high	97.9	Very high	38 Å²	38	49.7 Å²	49.7	19%	0.187	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-41.1	175.3	-66.1	170.7	60.1	0	0	112.3	V300 K301 K302 K308 P339 K342 A344 L346	V300-M304 HydrophobicContact CG1-SD 4.48Å; V300-M304 WeakPolarHBondContact O-CG 3.1Å; V300-M304 PolarHBondContact O-N 3.09Å; K301-M304 PolarHBondContact O-N 3.43Å; K302-M304 VanDerWaalsContact C-N 3.35Å; K302-M304 PolarHBondContact O-N 3.5Å; M304-K308 PolarHBondContact O-N 3.31Å; M304-P339 HydrophobicContact CG-CB 4.34Å; M304-P339 HydrophobicContact CG-CG 4.11Å; M304-P339 HydrophobicContact SD-CB 4.1Å; M304-P339 HydrophobicContact SD-CG 3.9Å; M304-K342 HydrophobicContact CE-CB 4.19Å; M304-K342 HydrophobicContact CE-CD 4.06Å; M304-A344 HydrophobicContact CE-CB 3.55Å; M304-L346 HydrophobicContact CG-CD2 4.29Å
305	Q	97.8	Very high	97.9	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.411	23%	0.234	S	C	.	.	H	α-helix	trans	-67.2	-49.5	177.2	-178.1	58	49.5	0	0	111.2	K301 K302 A303 Q307 K308 D309	K301-Q305 PolarHBondContact O-N 2.94Å; K301-Q305 VanDerWaalsContact O-N 3.13Å; K302-Q305 PolarHBondContact O-N 2.81Å; A303-Q305 VanDerWaalsContact C-N 3.31Å; A303-Q305 PolarHBondContact O-N 2.79Å; Q305-Q307 VanDerWaalsContact C-N 3.28Å; Q305-Q307 PolarHBondContact O-N 2.84Å; Q305-K308 WeakPolarHBondContact O-CB 3.45Å; Q305-K308 PolarHBondContact O-N 2.91Å; Q305-D309 PolarHBondContact NE2-OD1 3.28Å; Q305-D309 PolarHBondContact NE2-OD2 3.27Å; Q305-D309 VanDerWaalsContact O-CG 3.31Å; Q305-D309 PolarHBondContact O-N 3.43Å
306	L	98.1	Very high	97.9	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-62.6	-34.6	178.5	-68.6	175.7	0	0	0	112	L244 Q257 A258 L261 K302 A303 K308 D309 F310 L314	L244-L306 HydrophobicContact CD1-CD1 3.86Å; Q257-L306 HydrophobicContact CB-CD1 4.49Å; A258-L306 HydrophobicContact CB-CD2 4.04Å; L261-L306 HydrophobicContact CD2-CB 4.17Å; L261-L306 HydrophobicContact CD2-CD1 4.43Å; L261-L306 HydrophobicContact CD2-CD2 4.22Å; K302-L306 HydrophobicContact CD-CD1 4.44Å; K302-L306 HydrophobicContact CD-CG 4.26Å; K302-L306 HydrophobicContact CG-CD1 4.03Å; K302-L306 HydrophobicContact CG-CG 4.28Å; K302-L306 WeakPolarHBondContact O-CB 3.46Å; K302-L306 WeakPolarHBondContact O-CG 3.19Å; K302-L306 PolarHBondContact O-N 3.15Å; A303-L306 PolarHBondContact O-N 3.21Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 3.14Å; L306-D309 PolarHBondContact O-N 3.26Å; L306-F310 HydrophobicContact CD2-CD2 4.3Å; L306-F310 HydrophobicContact CD2-CE2 4.17Å; L306-F310 WeakPolarHBondContact O-CB 3.43Å; L306-F310 PolarHBondContact O-N 3.02Å; L306-L314 HydrophobicContact CB-CD2 3.68Å
307	Q	97.3	Very high	97.9	Very high	33 Å²	33	43 Å²	43	15%	0.154	21%	0.213	C	C	.	.	H	α-helix	trans	-62.3	-35.8	175	-169.3	68	44.4	0	0	111.5	A303 Q305 P311 L314	A303-Q307 VanDerWaalsContact O-CB 3.29Å; A303-Q307 WeakPolarHBondContact O-CB 3.44Å; A303-Q307 PolarHBondContact O-N 2.72Å; Q305-Q307 VanDerWaalsContact C-N 3.28Å; Q305-Q307 PolarHBondContact O-N 2.84Å; Q307-P311 WeakPolarHBondContact O-CA 3.5Å; Q307-L314 HydrophobicContact CB-CD2 3.95Å; Q307-L314 VanDerWaalsContact N-CD2 3.31Å; Q307-L314 PolarHBondContact NE2-O 2.74Å; Q307-L314 PolarHBondContact OE1-O 2.7Å
308	K	96.7	Very high	97.9	Very high	161 Å²	161	41.7 Å²	41.7	70%	0.7	21%	0.206	S	C	*	.	H	α-helix	trans	-72.8	-39.2	176.1	-176.6	-177.6	175.4	-174.9	0	111.9	M304 Q305 L306	M304-K308 PolarHBondContact O-N 3.31Å; Q305-K308 WeakPolarHBondContact O-CB 3.45Å; Q305-K308 PolarHBondContact O-N 2.91Å; L306-K308 VanDerWaalsContact C-N 3.26Å; L306-K308 PolarHBondContact O-N 3.14Å
309	D	97.2	Very high	97.9	Very high	83 Å²	83	36.6 Å²	36.6	44%	0.444	18%	0.182	S	C	.	.	H	α-helix	trans	-78.4	-29.7	-176.9	-60.5	-23.5	0	0	0	112	Q305 L306 P311	Q305-D309 PolarHBondContact NE2-OD1 3.28Å; Q305-D309 PolarHBondContact NE2-OD2 3.27Å; Q305-D309 VanDerWaalsContact O-CG 3.31Å; Q305-D309 PolarHBondContact O-N 3.43Å; L306-D309 PolarHBondContact O-N 3.26Å; D309-P311 VanDerWaalsContact C-CD 3.47Å
310	F	98.1	Very high	97.9	Very high	19 Å²	19	36.8 Å²	36.8	8%	0.083	18%	0.182	C	C	.	.	S	Bend	trans	-129.6	55.5	-176.9	-59.3	-93.8	0	0	0	112.7	A258 L261 Q262 L306 D312 F313 L314	A258-F310 HydrophobicContact CB-CE2 4.39Å; L261-F310 HydrophobicContact CD2-CB 3.9Å; L261-F310 HydrophobicContact CD2-CD1 4.29Å; L261-F310 HydrophobicContact CD2-CD2 3.53Å; L261-F310 HydrophobicContact CD2-CE2 4.1Å; L261-F310 HydrophobicContact CD2-CG 3.65Å; L261-F310 HydrophobicContact CG-CD1 4.25Å; L261-F310 HydrophobicContact CG-CD2 4.27Å; L261-F310 HydrophobicContact CG-CG 4.11Å; Q262-F310 HydrophobicContact CB-CE1 4.01Å; Q262-F310 HydrophobicContact CB-CZ 4.16Å; Q262-F310 VanDerWaalsContact OE1-CE1 3.27Å; L306-F310 HydrophobicContact CD2-CD2 4.3Å; L306-F310 HydrophobicContact CD2-CE2 4.17Å; L306-F310 WeakPolarHBondContact O-CB 3.43Å; L306-F310 PolarHBondContact O-N 3.02Å; F310-D312 PolarHBondContact O-N 3.41Å; F310-D312 VanDerWaalsContact O-N 3.13Å; F310-F313 PolarHBondContact O-N 2.88Å; F310-L314 HydrophobicContact CB-CB 4.47Å; F310-L314 PolarHBondContact O-N 3.48Å
311	P	96	Very high	97.9	Very high	75 Å²	75	37.4 Å²	37.4	49%	0.487	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.4	-168.9	26.7	-36.1	0	0	0	114.3	Q307 D309	Q307-P311 WeakPolarHBondContact O-CA 3.5Å; D309-P311 VanDerWaalsContact C-CD 3.47Å
312	D	94.3	Very high	97.8	Very high	112 Å²	112	34.5 Å²	34.5	60%	0.599	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-10.2	-180	-66.4	-47.9	0	0	0	113.8	R282 F310	R282-D312 PolarHBondContact NE-O 2.87Å; F310-D312 PolarHBondContact O-N 3.41Å; F310-D312 VanDerWaalsContact O-N 3.13Å
313	F	98.1	Very high	97.8	Very high	11 Å²	11	32 Å²	32	5%	0.048	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126	-36.5	-169.4	-162.7	-107.9	0	0	0	114.2	L261 Q265 T268 A281 R282 I283 F310 A315	L261-F313 HydrophobicContact CD1-CD1 3.68Å; L261-F313 HydrophobicContact CD1-CE1 3.95Å; L261-F313 HydrophobicContact CG-CD1 4.36Å; Q265-F313 VanDerWaalsContact CA-CZ 3.44Å; Q265-F313 HydrophobicContact CB-CD1 3.67Å; Q265-F313 HydrophobicContact CB-CD2 4.22Å; Q265-F313 HydrophobicContact CB-CE1 3.75Å; Q265-F313 HydrophobicContact CB-CE2 4.28Å; Q265-F313 HydrophobicContact CB-CG 3.93Å; Q265-F313 HydrophobicContact CB-CZ 4.08Å; Q265-F313 HydrophobicContact CG-CB 4.24Å; Q265-F313 HydrophobicContact CG-CD1 4.12Å; Q265-F313 HydrophobicContact CG-CD2 3.95Å; Q265-F313 HydrophobicContact CG-CE1 4.5Å; Q265-F313 HydrophobicContact CG-CE2 4.33Å; Q265-F313 HydrophobicContact CG-CG 3.84Å; Q265-F313 VanDerWaalsContact N-CE1 3.32Å; T268-F313 HydrophobicContact CG2-CE2 4.24Å; A281-F313 VanDerWaalsContact O-CD2 3.28Å; A281-F313 WeakPolarHBondContact O-CD2 3.34Å; A281-F313 WeakPolarHBondContact O-CE2 3.46Å; R282-F313 CarbonylContact C-O 3.59Å; R282-F313 VanDerWaalsContact CA-O 3.31Å; R282-F313 WeakPolarHBondContact CA-O 3.39Å; R282-F313 WeakPolarHBondContact CB-O 3.29Å; I283-F313 HydrophobicContact CD1-CE1 4.34Å; I283-F313 HydrophobicContact CG1-CD1 4.1Å; I283-F313 HydrophobicContact CG1-CE1 3.51Å; I283-F313 HydrophobicContact CG1-CZ 4.12Å; I283-F313 PolarHBondContact N-O 3Å; F310-F313 PolarHBondContact O-N 2.88Å; F313-A315 PolarHBondContact O-N 3.19Å
314	L	98.5	Very high	97.8	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	120.5	166.8	-166	75.3	0	0	0	108.7	L261 I283 F285 L306 Q307 F310	L261-L314 HydrophobicContact CD1-CD1 4.4Å; L261-L314 HydrophobicContact CD2-CB 4.36Å; L261-L314 HydrophobicContact CD2-CD1 4.17Å; I283-L314 HydrophobicContact CB-CD1 4.31Å; I283-L314 HydrophobicContact CG2-CD1 4.26Å; I283-L314 CarbonylContact O-C 3.54Å; I283-L314 WeakPolarHBondContact O-CA 3.49Å; I283-L314 WeakPolarHBondContact O-CD1 3.47Å; F285-L314 HydrophobicContact CB-CD1 3.96Å; L306-L314 HydrophobicContact CB-CD2 3.68Å; Q307-L314 HydrophobicContact CB-CD2 3.95Å; Q307-L314 VanDerWaalsContact N-CD2 3.31Å; Q307-L314 PolarHBondContact NE2-O 2.74Å; Q307-L314 PolarHBondContact OE1-O 2.7Å; F310-L314 HydrophobicContact CB-CB 4.47Å; F310-L314 PolarHBondContact O-N 3.48Å
315	A	98.6	Very high	97.7	Very high	5 Å²	5	36.5 Å²	36.5	4%	0.041	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	-35.9	177.7	0	0	0	0	0	112.1	R282 I283 I284 F313 P347 F349 A479	R282-A315 HydrophobicContact CB-CB 4.17Å; I283-A315 PolarHBondContact O-N 3.36Å; I284-A315 HydrophobicContact CG1-CB 3.89Å; F313-A315 PolarHBondContact O-N 3.19Å; A315-P347 WeakPolarHBondContact O-CB 3.36Å; A315-P347 WeakPolarHBondContact O-CG 3.45Å; A315-F349 HydrophobicContact CB-CE2 4.04Å; A315-F349 HydrophobicContact CB-CZ 4.22Å; A315-F349 WeakPolarHBondContact O-CE2 3.48Å; A315-A479 HydrophobicContact CB-CB 3.71Å
316	G	98.6	Very high	97.6	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162	-147.9	-177.5	0	0	0	0	0	113.7	F285 P347	F285-G316 PolarHBondContact N-O 3.48Å; G316-P347 CarbonylContact C-O 3.56Å; G316-P347 WeakPolarHBondContact CA-O 3.27Å
317	F	98.9	Very high	97.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	152.3	-173.2	-172.1	-94.8	0	0	0	113.8	F285 N287 A299 V300 A303 L319 L336 L346 P347 Y348 F349	F285-F317 HydrophobicContact CB-CD2 4.37Å; F285-F317 AromaticContact CD1-CD2 3.86Å; F285-F317 HydrophobicContact CD1-CD2 3.86Å; F285-F317 AromaticContact CD1-CE2 3.97Å; F285-F317 HydrophobicContact CD1-CE2 3.97Å; F285-F317 HydrophobicContact CE1-CD2 4.44Å; F285-F317 HydrophobicContact CE1-CE2 4.12Å; F285-F317 HydrophobicContact CG-CD2 4.25Å; F285-F317 HydrophobicContact CG-CE2 4.45Å; F285-F317 CarbonylContact O-C 3.41Å; F285-F317 WeakPolarHBondContact O-CA 3.4Å; F285-F317 WeakPolarHBondContact O-CD2 3.35Å; N287-F317 HydrophobicContact CB-CE2 4.36Å; N287-F317 HydrophobicContact CB-CZ 3.92Å; A299-F317 HydrophobicContact CB-CE2 3.97Å; A299-F317 HydrophobicContact CB-CZ 4.08Å; V300-F317 HydrophobicContact CG2-CD1 4.37Å; V300-F317 HydrophobicContact CG2-CE1 4.01Å; V300-F317 HydrophobicContact CG2-CZ 4.22Å; A303-F317 HydrophobicContact CB-CB 4.25Å; A303-F317 HydrophobicContact CB-CD2 3.7Å; A303-F317 HydrophobicContact CB-CE2 4.47Å; A303-F317 HydrophobicContact CB-CG 4.29Å; F317-L319 HydrophobicContact CE1-CD2 3.98Å; F317-L319 HydrophobicContact CE1-CG 4.16Å; F317-L319 HydrophobicContact CZ-CD2 4.25Å; F317-L336 HydrophobicContact CE1-CD2 4.35Å; F317-L346 HydrophobicContact CB-CD1 4.38Å; F317-L346 HydrophobicContact CB-CD2 3.94Å; F317-L346 HydrophobicContact CB-CG 4.25Å; F317-P347 PolarHBondContact N-O 2.82Å; F317-Y348 HydrophobicContact CB-CD1 3.92Å; F317-Y348 HydrophobicContact CB-CE1 3.94Å; F317-Y348 HydrophobicContact CD1-CD1 4.16Å; F317-Y348 AromaticContact CD1-CE1 3.89Å; F317-Y348 HydrophobicContact CD1-CE1 3.89Å; F317-Y348 HydrophobicContact CG-CE1 4.32Å; F317-Y348 WeakPolarHBondContact O-CA 3.36Å; F317-F349 PolarHBondContact O-N 2.81Å
318	D	98.9	Very high	97.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	160.7	178.9	-172.4	9.6	0	0	0	111.5	R241 I284 F285 T286 N287 F349 F350 H351	R241-D318 HydrophobicContact CG-CB 4.49Å; R241-D318 WeakPolarHBondContact CG-OD2 3.3Å; R241-D318 IonicContact NE-OD2 2.73Å; R241-D318 PolarHBondContact NE-OD2 3.35Å; I284-D318 HydrophobicContact CG2-CB 3.66Å; F285-D318 PolarHBondContact O-N 2.98Å; T286-D318 VanDerWaalsContact CA-O 3.31Å; T286-D318 WeakPolarHBondContact CA-O 3.17Å; T286-D318 HydrophobicContact CG2-CB 3.96Å; N287-D318 PolarHBondContact N-O 3.12Å; D318-F349 VanDerWaalsContact OD2-O 3.12Å; D318-F350 WeakPolarHBondContact OD1-CA 3.39Å; D318-H351 PolarHBondContact OD1-N 3.44Å; D318-H351 IonicContact OD1-ND1 2.89Å; D318-H351 PolarHBondContact OD1-ND1 3.17Å; D318-H351 IonicContact OD2-CE1 3.62Å; D318-H351 PolarHBondContact OD2-CE1 3.45Å; D318-H351 IonicContact OD2-ND1 3.94Å; D318-H351 PolarHBondContact OD2-ND1 2.99Å
319	L	98.8	Very high	97.8	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.5	172.7	-72.8	175	0	0	0	109.6	N287 R289 V296 F317 L329 F332 L336	N287-L319 HydrophobicContact CB-CD2 4.3Å; N287-L319 WeakPolarHBondContact O-CA 3.32Å; N287-L319 WeakPolarHBondContact O-CD2 3.21Å; R289-L319 HydrophobicContact CB-CB 4.35Å; V296-L319 HydrophobicContact CG1-CD2 4.09Å; V296-L319 HydrophobicContact CG2-CD2 4.2Å; F317-L319 HydrophobicContact CE1-CD2 3.98Å; F317-L319 HydrophobicContact CE1-CG 4.16Å; F317-L319 HydrophobicContact CZ-CD2 4.25Å; L319-L329 HydrophobicContact CD1-CD2 3.88Å; L319-F332 HydrophobicContact CD1-CD2 3.6Å; L319-F332 HydrophobicContact CD1-CE2 4.08Å; L319-F332 HydrophobicContact CD1-CG 4.28Å; L319-L336 HydrophobicContact CD1-CD1 4.31Å; L319-L336 HydrophobicContact CD1-CD2 4.48Å
320	V	98.5	Very high	97.9	Very high	12 Å²	12	30 Å²	30	7%	0.073	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	174.1	-173	-61.3	0	0	0	0	112.6	R241 L243 T286 N287 H288 R289	R241-V320 HydrophobicContact CG-CG1 4.44Å; L243-V320 HydrophobicContact CD2-CG2 4.36Å; T286-V320 HydrophobicContact CG2-CG1 3.77Å; N287-V320 PolarHBondContact O-N 3.02Å; H288-V320 PolarHBondContact CD2-O 3.24Å; R289-V320 WeakPolarHBondContact CG-O 3.26Å; R289-V320 PolarHBondContact N-O 2.92Å
321	G	97.3	Very high	97.9	Very high	13 Å²	13	34.2 Å²	34.2	13%	0.134	17%	0.17	C	C	.	.	S	Bend	trans	94.9	171.2	-178.6	0	0	0	0	0	112.6	R289 E323	R289-G321 WeakPolarHBondContact CD-O 3.12Å; G321-E323 PolarHBondContact O-N 2.89Å
322	R	97.6	Very high	98	Very high	17 Å²	17	30.6 Å²	30.6	6%	0.064	15%	0.147	C	C	.	.			trans	-53.1	114.9	-171.6	-171.2	177.3	-176.2	-173.1	-1.7	113.3	D196 W199 H290 Q325 G326	D196-R322 IonicContact OD1-CZ 2.81Å; D196-R322 IonicContact OD1-NH1 3.72Å; D196-R322 PolarHBondContact OD1-NH1 3.34Å; D196-R322 IonicContact OD1-NH2 3.8Å; D196-R322 PolarHBondContact OD1-NH2 2.82Å; W199-R322 HydrophobicContact CD2-CB 3.7Å; W199-R322 HydrophobicContact CD2-CG 3.7Å; W199-R322 HydrophobicContact CE3-CB 3.65Å; W199-R322 HydrophobicContact CE3-CG 4.19Å; W199-R322 HydrophobicContact CG-CB 4.25Å; W199-R322 HydrophobicContact CG-CG 3.88Å; W199-R322 HydrophobicContact CH2-CB 4.28Å; W199-R322 HydrophobicContact CZ2-CB 4.31Å; W199-R322 HydrophobicContact CZ2-CG 4.29Å; W199-R322 HydrophobicContact CZ3-CB 3.95Å; H290-R322 PolarHBondContact CE1-O 3.48Å; H290-R322 VanDerWaalsContact CE1-O 3.3Å; R322-Q325 VanDerWaalsContact NH1-NE2 3.17Å; R322-G326 WeakPolarHBondContact O-CA 3.49Å; R322-G326 PolarHBondContact O-N 3.35Å; R322-G326 VanDerWaalsContact O-N 3.1Å
323	E	98.3	Very high	98.2	Very high	4 Å²	4	30 Å²	30	2%	0.019	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-68	-45.8	-174.9	179.9	146.4	-126.1	0	0	112.9	R289 G321 Q325 G326 A352 G353 E354 V362 N365	R289-E323 IonicContact CZ-OE1 2.74Å; R289-E323 VanDerWaalsContact NH1-CD 3.25Å; R289-E323 VanDerWaalsContact NH1-CG 3.27Å; R289-E323 IonicContact NH1-OE1 3.1Å; R289-E323 PolarHBondContact NH1-OE1 2.94Å; R289-E323 VanDerWaalsContact NH1-OE1 3.16Å; R289-E323 IonicContact NH2-OE1 3.77Å; R289-E323 PolarHBondContact NH2-OE1 3.09Å; G321-E323 PolarHBondContact O-N 2.89Å; E323-Q325 PolarHBondContact O-N 2.9Å; E323-Q325 VanDerWaalsContact O-N 3.13Å; E323-G326 PolarHBondContact O-N 2.68Å; E323-A352 WeakPolarHBondContact OE2-CA 3.46Å; E323-G353 PolarHBondContact OE2-N 2.94Å; E323-E354 PolarHBondContact OE2-N 2.92Å; E323-V362 HydrophobicContact CB-CG1 4.45Å; E323-V362 HydrophobicContact CG-CG1 3.42Å; E323-V362 VanDerWaalsContact CG-CG1 3.42Å; E323-N365 PolarHBondContact OE1-ND2 3.39Å
324	D	98.1	Very high	98.2	Very high	24 Å²	24	33.8 Å²	33.8	13%	0.128	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-57.2	-28.9	-177.2	-80.5	-8.3	0	0	0	115.5	T355 F357	D324-T355 WeakPolarHBondContact OD1-CB 3.15Å; D324-T355 PolarHBondContact OD1-OG1 2.94Å; D324-F357 HydrophobicContact CB-CE2 4.08Å; D324-F357 WeakPolarHBondContact OD1-CD2 3.5Å; D324-F357 WeakPolarHBondContact OD2-CE2 3.45Å
325	Q	96.1	Very high	98.2	Very high	108 Å²	108	33.9 Å²	33.9	51%	0.505	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-115.3	-3.6	-177.3	-67.7	-178	-15.2	0	0	112.7	D196 H290 R322 E323	D196-Q325 PolarHBondContact OD1-NE2 3.03Å; H290-Q325 PolarHBondContact NE2-O 3.05Å; R322-Q325 VanDerWaalsContact NH1-NE2 3.17Å; E323-Q325 PolarHBondContact O-N 2.9Å; E323-Q325 VanDerWaalsContact O-N 3.13Å
326	G	96.2	Very high	98.2	Very high	17 Å²	17	33.8 Å²	33.8	18%	0.175	16%	0.157	C	C	.	.	S	Bend	trans	-82.2	178.5	-179.5	0	0	0	0	0	112.8	R322 E323	R322-G326 WeakPolarHBondContact O-CA 3.49Å; R322-G326 PolarHBondContact O-N 3.35Å; R322-G326 VanDerWaalsContact O-N 3.1Å; E323-G326 PolarHBondContact O-N 2.68Å
327	K	98.4	Very high	98.1	Very high	56 Å²	56	35.2 Å²	35.2	24%	0.243	17%	0.169	C	C	.	.			trans	-83.9	144.2	169.2	-53.8	-170.1	-169.2	67.9	0	109.7	R289 H290 A291 Y331 F332	R289-K327 PolarHBondContact NE-O 2.87Å; R289-K327 WeakPolarHBondContact O-CB 3.37Å; R289-K327 PolarHBondContact O-N 2.79Å; H290-K327 PolarHBondContact O-NZ 3.34Å; A291-K327 PolarHBondContact O-NZ 3.08Å; K327-Y331 HydrophobicContact CB-CD1 3.84Å; K327-Y331 HydrophobicContact CB-CE1 4.48Å; K327-Y331 HydrophobicContact CB-CG 4.05Å; K327-Y331 HydrophobicContact CD-CD1 3.45Å; K327-Y331 VanDerWaalsContact CD-CD1 3.45Å; K327-Y331 HydrophobicContact CD-CD2 4.35Å; K327-Y331 HydrophobicContact CD-CE1 3.2Å; K327-Y331 HydrophobicContact CD-CE2 4.14Å; K327-Y331 HydrophobicContact CD-CG 4.04Å; K327-Y331 HydrophobicContact CG-CD1 4.23Å; K327-Y331 HydrophobicContact CG-CE1 4.41Å; K327-F332 HydrophobicContact CB-CD2 4.39Å; K327-F332 HydrophobicContact CB-CE2 3.54Å; K327-F332 HydrophobicContact CB-CZ 3.74Å; K327-F332 HydrophobicContact CD-CE1 4.35Å; K327-F332 HydrophobicContact CD-CZ 3.86Å; K327-F332 HydrophobicContact CG-CZ 4.26Å
328	T	98.5	Very high	98.1	Very high	19 Å²	19	36.6 Å²	36.6	12%	0.117	18%	0.176	C	C	.	.			trans	-72.8	163	-179.9	57.9	0	0	0	0	111.6	W330 Y331 F332 E361 N365	T328-W330 VanDerWaalsContact C-N 3.26Å; T328-W330 PolarHBondContact O-N 3.47Å; T328-Y331 WeakPolarHBondContact O-CB 3.35Å; T328-Y331 PolarHBondContact O-N 3.22Å; T328-Y331 PolarHBondContact OG1-N 3.46Å; T328-F332 WeakPolarHBondContact O-CD2 3.44Å; T328-E361 HydrophobicContact CG2-CB 3.94Å; T328-N365 WeakPolarHBondContact CA-OD1 3.45Å; T328-N365 VanDerWaalsContact CB-OD1 3.29Å; T328-N365 WeakPolarHBondContact CB-OD1 3.4Å
329	L	98.8	Very high	98	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-39.6	171.6	-61.8	-177.7	0	0	0	110.4	L319 Y331 F332 R333 L336 F350 N365 D368 A369 L372	L319-L329 HydrophobicContact CD1-CD2 3.88Å; L329-Y331 VanDerWaalsContact C-N 3.28Å; L329-Y331 PolarHBondContact O-N 3.07Å; L329-F332 CarbonylContact O-C 3.59Å; L329-F332 PolarHBondContact O-N 2.75Å; L329-R333 PolarHBondContact O-N 3.46Å; L329-R333 VanDerWaalsContact O-N 3.11Å; L329-L336 HydrophobicContact CB-CD1 4.49Å; L329-L336 HydrophobicContact CD2-CD1 4.32Å; L329-F350 HydrophobicContact CD1-CB 3.95Å; L329-F350 HydrophobicContact CD1-CD1 4.48Å; L329-F350 HydrophobicContact CD1-CD2 3.98Å; L329-F350 HydrophobicContact CD1-CG 3.89Å; L329-F350 HydrophobicContact CD2-CB 4.41Å; L329-F350 HydrophobicContact CD2-CD1 3.72Å; L329-F350 HydrophobicContact CD2-CE1 4.08Å; L329-F350 HydrophobicContact CD2-CG 3.98Å; L329-N365 HydrophobicContact CD1-CB 4.11Å; L329-N365 HydrophobicContact CG-CB 4.16Å; L329-N365 PolarHBondContact N-OD1 2.84Å; L329-D368 HydrophobicContact CB-CB 3.84Å; L329-D368 HydrophobicContact CD1-CB 4.29Å; L329-A369 HydrophobicContact CD1-CB 3.75Å; L329-L372 HydrophobicContact CB-CD1 4.38Å
330	W	98.4	Very high	97.9	Very high	135 Å²	135	40.6 Å²	40.6	51%	0.511	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-59.2	-34.9	175.7	-165.5	-105.1	0	0	0	114.1	T328 F332 R333 D368 L371	T328-W330 VanDerWaalsContact C-N 3.26Å; T328-W330 PolarHBondContact O-N 3.47Å; W330-F332 VanDerWaalsContact C-N 3.25Å; W330-F332 PolarHBondContact O-N 2.95Å; W330-R333 WeakPolarHBondContact O-CB 3.49Å; W330-R333 WeakPolarHBondContact O-CD 3.32Å; W330-R333 VanDerWaalsContact O-CG 3.3Å; W330-R333 WeakPolarHBondContact O-CG 3.38Å; W330-R333 PolarHBondContact O-N 2.94Å; W330-R333 PolarHBondContact O-NH1 3.39Å; W330-D368 WeakPolarHBondContact CB-OD2 3.41Å; W330-D368 VanDerWaalsContact CE3-OD1 3.31Å; W330-D368 PolarHBondContact N-OD2 3.12Å; W330-L371 HydrophobicContact CZ3-CD1 4.47Å
331	Y	98.6	Very high	97.8	Very high	108 Å²	108	46.5 Å²	46.5	42%	0.424	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-60.8	-37.6	174	176.6	-86.9	0	0	0	111.6	L293 K327 T328 L329	L293-Y331 HydrophobicContact CB-CE1 4.02Å; K327-Y331 HydrophobicContact CB-CD1 3.84Å; K327-Y331 HydrophobicContact CB-CE1 4.48Å; K327-Y331 HydrophobicContact CB-CG 4.05Å; K327-Y331 HydrophobicContact CD-CD1 3.45Å; K327-Y331 VanDerWaalsContact CD-CD1 3.45Å; K327-Y331 HydrophobicContact CD-CD2 4.35Å; K327-Y331 HydrophobicContact CD-CE1 3.2Å; K327-Y331 HydrophobicContact CD-CE2 4.14Å; K327-Y331 HydrophobicContact CD-CG 4.04Å; K327-Y331 HydrophobicContact CG-CD1 4.23Å; K327-Y331 HydrophobicContact CG-CE1 4.41Å; T328-Y331 WeakPolarHBondContact O-CB 3.35Å; T328-Y331 PolarHBondContact O-N 3.22Å; T328-Y331 PolarHBondContact OG1-N 3.46Å; L329-Y331 VanDerWaalsContact C-N 3.28Å; L329-Y331 PolarHBondContact O-N 3.07Å
332	F	98.7	Very high	97.8	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-92.4	7.8	179.3	-61.6	-66.4	0	0	0	113.9	L293 V296 L319 K327 T328 L329 W330 D334 A335 L336	L293-F332 HydrophobicContact CD1-CD1 3.73Å; L293-F332 HydrophobicContact CD1-CE1 4.48Å; V296-F332 HydrophobicContact CB-CD1 3.86Å; V296-F332 HydrophobicContact CB-CE1 3.9Å; V296-F332 HydrophobicContact CG1-CB 4.48Å; V296-F332 HydrophobicContact CG1-CD1 3.93Å; V296-F332 HydrophobicContact CG1-CE1 4.37Å; V296-F332 HydrophobicContact CG1-CG 4.21Å; V296-F332 HydrophobicContact CG2-CD1 3.9Å; V296-F332 HydrophobicContact CG2-CE1 3.47Å; V296-F332 VanDerWaalsContact CG2-CE1 3.47Å; V296-F332 HydrophobicContact CG2-CE2 4.47Å; V296-F332 HydrophobicContact CG2-CZ 3.78Å; L319-F332 HydrophobicContact CD1-CD2 3.6Å; L319-F332 HydrophobicContact CD1-CE2 4.08Å; L319-F332 HydrophobicContact CD1-CG 4.28Å; K327-F332 HydrophobicContact CB-CD2 4.39Å; K327-F332 HydrophobicContact CB-CE2 3.54Å; K327-F332 HydrophobicContact CB-CZ 3.74Å; K327-F332 HydrophobicContact CD-CE1 4.35Å; K327-F332 HydrophobicContact CD-CZ 3.86Å; K327-F332 HydrophobicContact CG-CZ 4.26Å; T328-F332 WeakPolarHBondContact O-CD2 3.44Å; L329-F332 CarbonylContact O-C 3.59Å; L329-F332 PolarHBondContact O-N 2.75Å; W330-F332 VanDerWaalsContact C-N 3.25Å; W330-F332 PolarHBondContact O-N 2.95Å; F332-D334 PolarHBondContact O-N 2.9Å; F332-A335 WeakPolarHBondContact O-CA 3.5Å; F332-A335 WeakPolarHBondContact O-CB 3.18Å; F332-A335 PolarHBondContact O-N 2.92Å; F332-L336 HydrophobicContact CB-CD1 3.88Å; F332-L336 HydrophobicContact CB-CG 3.98Å; F332-L336 WeakPolarHBondContact O-CG 3.36Å; F332-L336 PolarHBondContact O-N 2.99Å
333	R	98.1	Very high	97.7	Very high	100 Å²	100	54.7 Å²	54.7	38%	0.377	29%	0.289	S	S	.	.	H	α-helix	trans	-50.1	-40.6	-171.6	71.8	-171.9	176.7	-88.2	-7.1	113.9	L329 W330 L336 A337	L329-R333 PolarHBondContact O-N 3.46Å; L329-R333 VanDerWaalsContact O-N 3.11Å; W330-R333 WeakPolarHBondContact O-CB 3.49Å; W330-R333 WeakPolarHBondContact O-CD 3.32Å; W330-R333 VanDerWaalsContact O-CG 3.3Å; W330-R333 WeakPolarHBondContact O-CG 3.38Å; W330-R333 PolarHBondContact O-N 2.94Å; W330-R333 PolarHBondContact O-NH1 3.39Å; R333-L336 PolarHBondContact O-N 2.63Å; R333-A337 WeakPolarHBondContact O-CB 3.34Å; R333-A337 PolarHBondContact O-N 3.4Å
334	D	97.6	Very high	97.5	Very high	90 Å²	90	56.2 Å²	56.2	48%	0.481	30%	0.302	S	S	.	.	H	α-helix	trans	-67.8	-41.7	-179	-59.2	-17.4	0	0	0	110.4	F332 A337 L338	F332-D334 PolarHBondContact O-N 2.9Å; D334-A337 PolarHBondContact O-N 2.84Å; D334-L338 WeakPolarHBondContact O-CG 3.38Å; D334-L338 PolarHBondContact O-N 2.83Å
335	A	98.5	Very high	97.2	Very high	2 Å²	2	61.2 Å²	61.2	2%	0.017	33%	0.333	C	S	.	.	H	α-helix	trans	-65.5	-41	174.9	0	0	0	0	0	111.8	L293 V296 T297 F332 A337 L338	L293-A335 HydrophobicContact CD1-CB 3.91Å; V296-A335 HydrophobicContact CG1-CB 4.36Å; T297-A335 WeakPolarHBondContact OG1-CB 3.21Å; F332-A335 WeakPolarHBondContact O-CA 3.5Å; F332-A335 WeakPolarHBondContact O-CB 3.18Å; F332-A335 PolarHBondContact O-N 2.92Å; A335-A337 VanDerWaalsContact C-N 3.34Å; A335-L338 WeakPolarHBondContact O-CB 3.28Å; A335-L338 WeakPolarHBondContact O-CG 3.35Å; A335-L338 PolarHBondContact O-N 3.35Å
336	L	98.6	Very high	97.2	Very high	4 Å²	4	56.6 Å²	56.6	2%	0.021	31%	0.312	C	S	.	.	H	α-helix	trans	-76.4	-21	-178.1	-59.7	175.3	0	0	0	112.7	V300 F317 L319 L329 F332 R333 P339 Y348 F350 L372	V300-L336 HydrophobicContact CG2-CD2 4.08Å; F317-L336 HydrophobicContact CE1-CD2 4.35Å; L319-L336 HydrophobicContact CD1-CD1 4.31Å; L319-L336 HydrophobicContact CD1-CD2 4.48Å; L329-L336 HydrophobicContact CB-CD1 4.49Å; L329-L336 HydrophobicContact CD2-CD1 4.32Å; F332-L336 HydrophobicContact CB-CD1 3.88Å; F332-L336 HydrophobicContact CB-CG 3.98Å; F332-L336 WeakPolarHBondContact O-CG 3.36Å; F332-L336 PolarHBondContact O-N 2.99Å; R333-L336 PolarHBondContact O-N 2.63Å; L336-P339 WeakPolarHBondContact O-CD 3.31Å; L336-Y348 WeakPolarHBondContact CA-OH 3.27Å; L336-Y348 HydrophobicContact CD2-CE1 4.18Å; L336-Y348 PolarHBondContact O-OH 3.35Å; L336-F350 HydrophobicContact CD1-CE1 4.16Å; L336-F350 HydrophobicContact CD1-CZ 3.85Å; L336-F350 HydrophobicContact CD2-CE1 4.07Å; L336-F350 HydrophobicContact CD2-CZ 3.95Å; L336-F350 HydrophobicContact CG-CZ 4.37Å; L336-L372 HydrophobicContact CB-CD1 4.14Å; L336-L372 HydrophobicContact CB-CD2 4.06Å; L336-L372 HydrophobicContact CD1-CD1 3.68Å
337	A	97.9	Very high	97.4	Very high	30 Å²	30	57.6 Å²	57.6	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-80.4	-19.2	173.9	0	0	0	0	0	113.3	R333 D334 A335 P339 A340 E341	R333-A337 WeakPolarHBondContact O-CB 3.34Å; R333-A337 PolarHBondContact O-N 3.4Å; D334-A337 PolarHBondContact O-N 2.84Å; A335-A337 VanDerWaalsContact C-N 3.34Å; A337-P339 VanDerWaalsContact C-CD 3.41Å; A337-P339 VanDerWaalsContact O-N 3.17Å; A337-A340 PolarHBondContact O-N 3.4Å; A337-E341 PolarHBondContact O-N 3.34Å
338	L	98.1	Very high	97.4	Very high	29 Å²	29	55.3 Å²	55.3	15%	0.152	31%	0.305	C	S	.	.	H	α-helix	trans	-49.6	-41.4	-176.6	-71.4	175	0	0	0	115.4	T297 D334 A335 A340 E341 K342	T297-L338 HydrophobicContact CG2-CD1 3.75Å; D334-L338 WeakPolarHBondContact O-CG 3.38Å; D334-L338 PolarHBondContact O-N 2.83Å; A335-L338 WeakPolarHBondContact O-CB 3.28Å; A335-L338 WeakPolarHBondContact O-CG 3.35Å; A335-L338 PolarHBondContact O-N 3.35Å; L338-A340 PolarHBondContact O-N 2.96Å; L338-E341 PolarHBondContact O-N 2.85Å; L338-K342 WeakPolarHBondContact O-CB 3.33Å; L338-K342 WeakPolarHBondContact O-CG 3.47Å; L338-K342 PolarHBondContact O-N 3.47Å
339	P	97.9	Very high	97.4	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-47.3	177.7	-23.9	35.2	0	0	0	111.6	V300 M304 L336 A337 K342 G343 A344 L346 Y348	V300-P339 HydrophobicContact CG1-CG 3.83Å; M304-P339 HydrophobicContact CG-CB 4.34Å; M304-P339 HydrophobicContact CG-CG 4.11Å; M304-P339 HydrophobicContact SD-CB 4.1Å; M304-P339 HydrophobicContact SD-CG 3.9Å; L336-P339 WeakPolarHBondContact O-CD 3.31Å; A337-P339 VanDerWaalsContact C-CD 3.41Å; A337-P339 VanDerWaalsContact O-N 3.17Å; P339-K342 CarbonylContact O-C 3.59Å; P339-K342 PolarHBondContact O-N 3.39Å; P339-G343 PolarHBondContact O-N 3.38Å; P339-G343 VanDerWaalsContact O-N 3.17Å; P339-A344 CarbonylContact C-O 3.44Å; P339-A344 WeakPolarHBondContact O-CA 3.31Å; P339-A344 PolarHBondContact O-N 2.88Å; P339-L346 HydrophobicContact CB-CB 3.82Å; P339-L346 HydrophobicContact CG-CB 3.78Å; P339-L346 HydrophobicContact CG-CD2 3.89Å; P339-L346 HydrophobicContact CG-CG 4.49Å; P339-Y348 WeakPolarHBondContact CG-OH 3.18Å
340	A	96.4	Very high	97.4	Very high	80 Å²	80	54.5 Å²	54.5	66%	0.661	30%	0.3	S	S	*	.	H	α-helix	trans	-64.8	-42.9	179.8	0	0	0	0	0	111.9	A337 L338 K342 G343	A337-A340 PolarHBondContact O-N 3.4Å; L338-A340 PolarHBondContact O-N 2.96Å; A340-K342 PolarHBondContact O-N 3.18Å; A340-G343 PolarHBondContact O-N 2.95Å
341	E	96.4	Very high	97.4	Very high	135 Å²	135	48.4 Å²	48.4	63%	0.631	28%	0.277	S	S	*	.	H	α-helix	trans	-59.6	-32.4	175.8	-68.7	177	-178.5	0	0	112.7	A337 L338	A337-E341 PolarHBondContact O-N 3.34Å; L338-E341 PolarHBondContact O-N 2.85Å
342	K	96.6	Very high	97.4	Very high	130 Å²	130	43.3 Å²	43.3	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.5	5	177.5	-68.1	-173.1	175.2	-168.7	0	114	M304 L338 P339 A340 A344	M304-K342 HydrophobicContact CE-CB 4.19Å; M304-K342 HydrophobicContact CE-CD 4.06Å; L338-K342 WeakPolarHBondContact O-CB 3.33Å; L338-K342 WeakPolarHBondContact O-CG 3.47Å; L338-K342 PolarHBondContact O-N 3.47Å; P339-K342 CarbonylContact O-C 3.59Å; P339-K342 PolarHBondContact O-N 3.39Å; A340-K342 PolarHBondContact O-N 3.18Å; K342-A344 PolarHBondContact O-N 3.13Å
343	G	95.3	Very high	97.4	Very high	73 Å²	73	43.3 Å²	43.3	75%	0.753	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	22.6	-177.6	0	0	0	0	0	114.1	P339 A340	P339-G343 PolarHBondContact O-N 3.38Å; P339-G343 VanDerWaalsContact O-N 3.17Å; A340-G343 PolarHBondContact O-N 2.95Å
344	A	94.2	Very high	97.5	Very high	36 Å²	36	39.1 Å²	39.1	30%	0.298	24%	0.242	S	C	.	.			trans	-102.1	150.7	175.3	0	0	0	0	0	110.9	M304 P339 K342	M304-A344 HydrophobicContact CE-CB 3.55Å; P339-A344 CarbonylContact C-O 3.44Å; P339-A344 WeakPolarHBondContact O-CA 3.31Å; P339-A344 PolarHBondContact O-N 2.88Å; K342-A344 PolarHBondContact O-N 3.13Å
345	T	91.2	Very high	97.5	Very high	128 Å²	128	34.8 Å²	34.8	79%	0.785	22%	0.219	S	C	*	.			trans	-102.4	119.4	172.1	-52.7	0	0	0	0	109.2
346	L	97.8	Very high	97.5	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.063	23%	0.232	C	C	.	.			trans	-123.1	110.2	169.6	179.1	64.3	0	0	0	107.6	V300 A303 M304 F317 P339 Y348	V300-L346 HydrophobicContact CG1-CD2 4.1Å; A303-L346 HydrophobicContact CB-CD1 4.09Å; A303-L346 HydrophobicContact CB-CD2 3.91Å; M304-L346 HydrophobicContact CG-CD2 4.29Å; F317-L346 HydrophobicContact CB-CD1 4.38Å; F317-L346 HydrophobicContact CB-CD2 3.94Å; F317-L346 HydrophobicContact CB-CG 4.25Å; P339-L346 HydrophobicContact CB-CB 3.82Å; P339-L346 HydrophobicContact CG-CB 3.78Å; P339-L346 HydrophobicContact CG-CD2 3.89Å; P339-L346 HydrophobicContact CG-CG 4.49Å; L346-Y348 HydrophobicContact CD2-CE1 3.84Å; L346-Y348 HydrophobicContact CG-CE1 4.21Å
347	P	98.4	Very high	97.4	Very high	37 Å²	37	42.1 Å²	42.1	24%	0.24	25%	0.253	C	S	.	.			trans	-64.5	142.5	174.6	-21.7	34.2	0	0	0	111.1	A315 G316 F317 F349	A315-P347 WeakPolarHBondContact O-CB 3.36Å; A315-P347 WeakPolarHBondContact O-CG 3.45Å; G316-P347 CarbonylContact C-O 3.56Å; G316-P347 WeakPolarHBondContact CA-O 3.27Å; F317-P347 PolarHBondContact N-O 2.82Å; P347-F349 HydrophobicContact CB-CE2 3.91Å; P347-F349 HydrophobicContact CB-CZ 4.21Å
348	Y	98.9	Very high	97.3	Very high	9 Å²	9	46.6 Å²	46.6	4%	0.035	27%	0.269	C	S	.	.	B	Isolated β-bridge	trans	-112.2	151.3	174.2	-66.4	-58.3	0	0	0	111.8	F317 L336 P339 L346 F350 T374 S375	F317-Y348 HydrophobicContact CB-CD1 3.92Å; F317-Y348 HydrophobicContact CB-CE1 3.94Å; F317-Y348 HydrophobicContact CD1-CD1 4.16Å; F317-Y348 AromaticContact CD1-CE1 3.89Å; F317-Y348 HydrophobicContact CD1-CE1 3.89Å; F317-Y348 HydrophobicContact CG-CE1 4.32Å; F317-Y348 WeakPolarHBondContact O-CA 3.36Å; L336-Y348 WeakPolarHBondContact CA-OH 3.27Å; L336-Y348 HydrophobicContact CD2-CE1 4.18Å; L336-Y348 PolarHBondContact O-OH 3.35Å; P339-Y348 WeakPolarHBondContact CG-OH 3.18Å; L346-Y348 HydrophobicContact CD2-CE1 3.84Å; L346-Y348 HydrophobicContact CG-CE1 4.21Å; Y348-F350 AromaticContact CD1-CE1 3.78Å; Y348-F350 HydrophobicContact CD1-CE1 3.78Å; Y348-F350 HydrophobicContact CD1-CE2 4.01Å; Y348-F350 AromaticContact CD1-CZ 3.33Å; Y348-F350 HydrophobicContact CD1-CZ 3.33Å; Y348-F350 AromaticContact CD2-CE2 3.66Å; Y348-F350 HydrophobicContact CD2-CE2 3.66Å; Y348-F350 AromaticContact CD2-CZ 3.67Å; Y348-F350 HydrophobicContact CD2-CZ 3.67Å; Y348-F350 HydrophobicContact CE1-CE1 4.34Å; Y348-F350 AromaticContact CE1-CZ 3.83Å; Y348-F350 HydrophobicContact CE1-CZ 3.83Å; Y348-F350 HydrophobicContact CE2-CE2 4.41Å; Y348-F350 HydrophobicContact CE2-CZ 4.12Å; Y348-F350 HydrophobicContact CG-CD2 4.31Å; Y348-F350 HydrophobicContact CG-CE1 4.05Å; Y348-F350 AromaticContact CG-CE2 3.41Å; Y348-F350 HydrophobicContact CG-CE2 3.41Å; Y348-F350 VanDerWaalsContact CG-CE2 3.41Å; Y348-F350 AromaticContact CG-CZ 3.24Å; Y348-F350 HydrophobicContact CG-CZ 3.24Å; Y348-T374 PolarHBondContact O-OG1 3.03Å; Y348-T374 VanDerWaalsContact O-OG1 3.08Å; Y348-S375 WeakPolarHBondContact O-CB 3.41Å; Y348-S375 PolarHBondContact O-N 3.18Å
349	F	98.9	Very high	97	Very high	3 Å²	3	48.1 Å²	48.1	1%	0.013	29%	0.291	C	S	.	.			trans	-135.9	45.9	-179.8	-60.8	-87.2	0	0	0	111.4	R241 I284 A315 F317 D318 P347 H351 R376 A479	R241-F349 PolarHBondContact NH2-O 3.12Å; I284-F349 HydrophobicContact CB-CD2 4.5Å; I284-F349 HydrophobicContact CD1-CB 3.94Å; I284-F349 HydrophobicContact CD1-CD1 4.07Å; I284-F349 HydrophobicContact CD1-CD2 3.81Å; I284-F349 HydrophobicContact CD1-CE2 4.33Å; I284-F349 HydrophobicContact CD1-CG 3.65Å; I284-F349 HydrophobicContact CG1-CD2 3.78Å; I284-F349 HydrophobicContact CG1-CE2 4.12Å; I284-F349 HydrophobicContact CG1-CG 4.17Å; I284-F349 HydrophobicContact CG2-CB 4.15Å; I284-F349 HydrophobicContact CG2-CD2 3.92Å; I284-F349 HydrophobicContact CG2-CG 4.36Å; A315-F349 HydrophobicContact CB-CE2 4.04Å; A315-F349 HydrophobicContact CB-CZ 4.22Å; A315-F349 WeakPolarHBondContact O-CE2 3.48Å; F317-F349 PolarHBondContact O-N 2.81Å; D318-F349 VanDerWaalsContact OD2-O 3.12Å; P347-F349 HydrophobicContact CB-CE2 3.91Å; P347-F349 HydrophobicContact CB-CZ 4.21Å; F349-H351 PolarHBondContact O-N 3.02Å; F349-R376 HydrophobicContact CD1-CB 4.23Å; F349-R376 HydrophobicContact CD1-CG 4.42Å; F349-R376 VanDerWaalsContact CD1-CZ 3.42Å; F349-R376 VanDerWaalsContact CD1-NH2 3.29Å; F349-R376 VanDerWaalsContact CE1-CZ 3.43Å; F349-R376 VanDerWaalsContact CE1-NH1 3.28Å; F349-A479 HydrophobicContact CE1-CB 4.49Å; F349-A479 HydrophobicContact CZ-CB 3.97Å
350	F	98.9	Very high	97	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.303	C	S	.	.			trans	-58.3	131.9	-165	-66	-55.8	0	0	0	114	D318 L329 L336 Y348 A352 A369 L372 T374 G378	D318-F350 WeakPolarHBondContact OD1-CA 3.39Å; L329-F350 HydrophobicContact CD1-CB 3.95Å; L329-F350 HydrophobicContact CD1-CD1 4.48Å; L329-F350 HydrophobicContact CD1-CD2 3.98Å; L329-F350 HydrophobicContact CD1-CG 3.89Å; L329-F350 HydrophobicContact CD2-CB 4.41Å; L329-F350 HydrophobicContact CD2-CD1 3.72Å; L329-F350 HydrophobicContact CD2-CE1 4.08Å; L329-F350 HydrophobicContact CD2-CG 3.98Å; L336-F350 HydrophobicContact CD1-CE1 4.16Å; L336-F350 HydrophobicContact CD1-CZ 3.85Å; L336-F350 HydrophobicContact CD2-CE1 4.07Å; L336-F350 HydrophobicContact CD2-CZ 3.95Å; L336-F350 HydrophobicContact CG-CZ 4.37Å; Y348-F350 AromaticContact CD1-CE1 3.78Å; Y348-F350 HydrophobicContact CD1-CE1 3.78Å; Y348-F350 HydrophobicContact CD1-CE2 4.01Å; Y348-F350 AromaticContact CD1-CZ 3.33Å; Y348-F350 HydrophobicContact CD1-CZ 3.33Å; Y348-F350 AromaticContact CD2-CE2 3.66Å; Y348-F350 HydrophobicContact CD2-CE2 3.66Å; Y348-F350 AromaticContact CD2-CZ 3.67Å; Y348-F350 HydrophobicContact CD2-CZ 3.67Å; Y348-F350 HydrophobicContact CE1-CE1 4.34Å; Y348-F350 AromaticContact CE1-CZ 3.83Å; Y348-F350 HydrophobicContact CE1-CZ 3.83Å; Y348-F350 HydrophobicContact CE2-CE2 4.41Å; Y348-F350 HydrophobicContact CE2-CZ 4.12Å; Y348-F350 HydrophobicContact CG-CD2 4.31Å; Y348-F350 HydrophobicContact CG-CE1 4.05Å; Y348-F350 AromaticContact CG-CE2 3.41Å; Y348-F350 HydrophobicContact CG-CE2 3.41Å; Y348-F350 VanDerWaalsContact CG-CE2 3.41Å; Y348-F350 AromaticContact CG-CZ 3.24Å; Y348-F350 HydrophobicContact CG-CZ 3.24Å; F350-A352 PolarHBondContact O-N 3.19Å; F350-A369 HydrophobicContact CB-CB 4.14Å; F350-A369 HydrophobicContact CD2-CB 4.08Å; F350-L372 HydrophobicContact CE2-CB 3.83Å; F350-L372 HydrophobicContact CE2-CD1 3.76Å; F350-L372 HydrophobicContact CE2-CG 4.46Å; F350-L372 HydrophobicContact CZ-CD1 4.16Å; F350-T374 PolarHBondContact N-OG1 2.85Å; F350-G378 PolarHBondContact O-N 2.84Å
351	H	98.9	Very high	97	Very high	7 Å²	7	52.9 Å²	52.9	3%	0.032	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	124	152	-72.8	60.6	0	0	0	109.2	H106 H108 D318 F349 H379	H106-H351 AromaticContact CE1-CD2 3.82Å; H106-H351 AromaticContact CE1-CE1 3.21Å; H106-H351 PolarHBondContact CE1-CE1 2.86Å; H106-H351 AromaticContact CE1-ND1 3.91Å; H106-H351 AromaticContact CE1-NE2 3.15Å; H106-H351 PolarHBondContact CE1-NE2 3.4Å; H106-H351 AromaticContact NE2-CE1 3.43Å; H106-H351 PolarHBondContact NE2-CE1 2.86Å; H106-H351 AromaticContact NE2-NE2 3.09Å; H106-H351 PolarHBondContact NE2-NE2 3.37Å; H108-H351 AromaticContact CE1-CE1 3.36Å; H108-H351 PolarHBondContact CE1-CE1 3.33Å; H108-H351 AromaticContact CE1-NE2 3.32Å; H108-H351 PolarHBondContact CE1-NE2 3.47Å; H108-H351 VanDerWaalsContact CE1-NE2 3.32Å; H108-H351 AromaticContact NE2-CE1 3.76Å; H108-H351 AromaticContact NE2-NE2 3.4Å; H108-H351 PolarHBondContact NE2-NE2 2.97Å; D318-H351 PolarHBondContact OD1-N 3.44Å; D318-H351 IonicContact OD1-ND1 2.89Å; D318-H351 PolarHBondContact OD1-ND1 3.17Å; D318-H351 IonicContact OD2-CE1 3.62Å; D318-H351 PolarHBondContact OD2-CE1 3.45Å; D318-H351 IonicContact OD2-ND1 3.94Å; D318-H351 PolarHBondContact OD2-ND1 2.99Å; F349-H351 PolarHBondContact O-N 3.02Å; H351-H379 AromaticContact CD2-CD2 3.53Å; H351-H379 AromaticContact CD2-NE2 3.3Å; H351-H379 PolarHBondContact CD2-NE2 3.23Å; H351-H379 VanDerWaalsContact CD2-NE2 3.3Å; H351-H379 AromaticContact NE2-NE2 3.61Å
352	A	98.8	Very high	97	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	136.5	177.1	0	0	0	0	0	112.5	E323 F350 E354 N365 L366 A369 I377 G378 G380	E323-A352 WeakPolarHBondContact OE2-CA 3.46Å; F350-A352 PolarHBondContact O-N 3.19Å; A352-E354 VanDerWaalsContact C-N 3.33Å; A352-N365 HydrophobicContact CB-CB 3.92Å; A352-L366 HydrophobicContact CB-CD2 4.21Å; A352-L366 VanDerWaalsContact O-CD2 3.31Å; A352-L366 WeakPolarHBondContact O-CD2 3.26Å; A352-A369 HydrophobicContact CB-CB 4.13Å; A352-I377 HydrophobicContact CB-CG2 4.15Å; A352-G378 PolarHBondContact N-O 2.76Å; A352-G380 WeakPolarHBondContact O-CA 3.36Å; A352-G380 PolarHBondContact O-N 3.39Å
353	G	98.5	Very high	97.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.251	C	S	.	.			trans	72.2	24.5	177.1	0	0	0	0	0	113.6	E323 T355 F381 A382	E323-G353 PolarHBondContact OE2-N 2.94Å; G353-T355 PolarHBondContact O-N 3.36Å; G353-F381 CarbonylContact O-C 3.59Å; G353-F381 WeakPolarHBondContact O-CA 3.24Å; G353-F381 WeakPolarHBondContact O-CB 3.12Å; G353-F381 PolarHBondContact O-N 2.98Å; G353-F381 VanDerWaalsContact O-N 3.12Å; G353-A382 PolarHBondContact O-N 3.12Å
354	E	98.8	Very high	97.2	Very high	12 Å²	12	41.6 Å²	41.6	6%	0.056	23%	0.233	C	C	.	.			trans	-78.6	66.5	168.9	-164.5	-163.4	-177.8	0	0	110	E323 A352 H379 L412	E323-E354 PolarHBondContact OE2-N 2.92Å; A352-E354 VanDerWaalsContact C-N 3.33Å; E354-H379 HydrophobicContact CB-CB 3.95Å; E354-H379 HydrophobicContact CG-CB 3.97Å; E354-H379 IonicContact OE1-CE1 3.39Å; E354-H379 IonicContact OE1-ND1 2.67Å; E354-H379 IonicContact OE1-NE2 3.84Å; E354-H379 IonicContact OE2-CD2 3.46Å; E354-H379 IonicContact OE2-NE2 2.88Å; E354-H379 PolarHBondContact OE2-NE2 2.61Å; E354-L412 HydrophobicContact CG-CD1 3.57Å
355	T	98.6	Very high	97.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	22%	0.219	C	C	.	.	S	Bend	trans	-150.6	154.9	-174.7	-174.6	0	0	0	0	112.5	D324 G353 F357 V362 D363 F381 A382	D324-T355 WeakPolarHBondContact OD1-CB 3.15Å; D324-T355 PolarHBondContact OD1-OG1 2.94Å; G353-T355 PolarHBondContact O-N 3.36Å; T355-F357 WeakPolarHBondContact OG1-CB 3.37Å; T355-F357 WeakPolarHBondContact OG1-CD2 3.38Å; T355-F357 PolarHBondContact OG1-N 3.35Å; T355-V362 HydrophobicContact CG2-CG1 3.95Å; T355-D363 HydrophobicContact CG2-CB 3.72Å; T355-F381 WeakPolarHBondContact O-CD1 3.4Å; T355-A382 HydrophobicContact CG2-CB 4.24Å
356	N	97.8	Very high	97.8	Very high	54 Å²	54	33.8 Å²	33.8	29%	0.289	18%	0.182	S	C	.	.	S	Bend	trans	-88.6	-14.9	167.2	-85.1	-35.1	0	0	0	113.5	F381 R385 L412	N356-F381 WeakPolarHBondContact OD1-CE1 3.35Å; N356-R385 PolarHBondContact O-NH1 2.77Å; N356-L412 WeakPolarHBondContact ND2-CA 3.3Å; N356-L412 PolarHBondContact ND2-O 3.02Å; N356-L412 PolarHBondContact OD1-O 3.49Å
357	F	96.6	Very high	97.9	Very high	106 Å²	106	35.9 Å²	35.9	47%	0.465	19%	0.193	S	C	.	.			trans	-69.6	154.1	178.1	-60.5	-48.9	0	0	0	111.6	D324 T355 T360	D324-F357 HydrophobicContact CB-CE2 4.08Å; D324-F357 WeakPolarHBondContact OD1-CD2 3.5Å; D324-F357 WeakPolarHBondContact OD2-CE2 3.45Å; T355-F357 WeakPolarHBondContact OG1-CB 3.37Å; T355-F357 WeakPolarHBondContact OG1-CD2 3.38Å; T355-F357 PolarHBondContact OG1-N 3.35Å; F357-T360 HydrophobicContact CB-CG2 3.81Å; F357-T360 HydrophobicContact CG-CG2 4.48Å
358	E	95.3	Very high	97.9	Very high	124 Å²	124	35 Å²	35	58%	0.579	19%	0.186	S	C	*	.			trans	-137.4	135.5	-179.7	-177.2	174.6	-179.8	0	0	109.8	T360 D363 R385	E358-T360 VanDerWaalsContact C-N 3.27Å; E358-T360 PolarHBondContact O-N 3.45Å; E358-D363 WeakPolarHBondContact CA-OD2 3.49Å; E358-R385 HydrophobicContact CG-CB 4.47Å; E358-R385 WeakPolarHBondContact OE2-CD 3.35Å; E358-R385 IonicContact OE2-NH1 2.7Å
359	G	93.3	Very high	97.9	Very high	60 Å²	60	34.6 Å²	34.6	62%	0.619	19%	0.185	S	C	*	.	S	Bend	trans	74.8	17.6	179.4	0	0	0	0	0	113.7	D363	G359-D363 PolarHBondContact N-OD1 2.8Å; G359-D363 PolarHBondContact N-OD2 2.88Å
360	T	97.3	Very high	97.9	Very high	46 Å²	46	34.7 Å²	34.7	28%	0.282	19%	0.185	S	C	.	.	S	Bend	trans	-100.3	172.2	178.2	70.2	0	0	0	0	110.9	F357 E358 V362 D363 Q364	F357-T360 HydrophobicContact CB-CG2 3.81Å; F357-T360 HydrophobicContact CG-CG2 4.48Å; E358-T360 VanDerWaalsContact C-N 3.27Å; E358-T360 PolarHBondContact O-N 3.45Å; T360-V362 PolarHBondContact O-N 3.47Å; T360-V362 PolarHBondContact OG1-N 2.7Å; T360-D363 WeakPolarHBondContact CA-OD1 3.19Å; T360-D363 WeakPolarHBondContact CB-OD1 3.48Å; T360-D363 PolarHBondContact N-OD1 2.76Å; T360-D363 PolarHBondContact OG1-OD1 3.37Å; T360-Q364 WeakPolarHBondContact O-CG 3.48Å; T360-Q364 PolarHBondContact O-N 3.35Å; T360-Q364 PolarHBondContact O-NE2 3.33Å
361	E	96.6	Very high	97.8	Very high	138 Å²	138	40.3 Å²	40.3	65%	0.645	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-20	172.6	-56.8	-170.2	148.6	0	0	112.4	T328	T328-E361 HydrophobicContact CG2-CB 3.94Å
362	V	97.1	Very high	97.8	Very high	18 Å²	18	41.7 Å²	41.7	11%	0.109	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-53.5	-176.4	177	0	0	0	0	111.5	E323 T355 T360 Q364 N365	E323-V362 HydrophobicContact CB-CG1 4.45Å; E323-V362 HydrophobicContact CG-CG1 3.42Å; E323-V362 VanDerWaalsContact CG-CG1 3.42Å; T355-V362 HydrophobicContact CG2-CG1 3.95Å; T360-V362 PolarHBondContact O-N 3.47Å; T360-V362 PolarHBondContact OG1-N 2.7Å; V362-Q364 PolarHBondContact O-N 3.39Å; V362-N365 VanDerWaalsContact O-CB 3.24Å; V362-N365 WeakPolarHBondContact O-CB 3.39Å; V362-N365 PolarHBondContact O-N 3.31Å; V362-N365 VanDerWaalsContact O-N 3.1Å; V362-N365 PolarHBondContact O-ND2 3.46Å; V362-N365 VanDerWaalsContact O-ND2 3.15Å
363	D	97.9	Very high	97.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.7	176	56.7	-50.6	0	0	0	112.5	T355 E358 G359 T360 N365 L366 A382 H386	T355-D363 HydrophobicContact CG2-CB 3.72Å; E358-D363 WeakPolarHBondContact CA-OD2 3.49Å; G359-D363 PolarHBondContact N-OD1 2.8Å; G359-D363 PolarHBondContact N-OD2 2.88Å; T360-D363 WeakPolarHBondContact CA-OD1 3.19Å; T360-D363 WeakPolarHBondContact CB-OD1 3.48Å; T360-D363 PolarHBondContact N-OD1 2.76Å; T360-D363 PolarHBondContact OG1-OD1 3.37Å; D363-N365 PolarHBondContact O-N 2.94Å; D363-L366 WeakPolarHBondContact O-CB 3.49Å; D363-L366 WeakPolarHBondContact O-CD1 3.39Å; D363-L366 WeakPolarHBondContact O-CG 3.4Å; D363-L366 PolarHBondContact O-N 3.23Å; D363-A382 HydrophobicContact CB-CB 3.89Å; D363-H386 IonicContact OD2-CD2 3.61Å; D363-H386 IonicContact OD2-CE1 3.03Å; D363-H386 PolarHBondContact OD2-CE1 3.36Å; D363-H386 VanDerWaalsContact OD2-CE1 3.31Å; D363-H386 IonicContact OD2-NE2 2.81Å; D363-H386 PolarHBondContact OD2-NE2 3.2Å
364	Q	98.3	Very high	97.8	Very high	84 Å²	84	47.5 Å²	47.5	39%	0.393	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-15.9	169.2	-74.3	173	28.8	0	0	113.9	T360 V362 L366 L367 D368	T360-Q364 WeakPolarHBondContact O-CG 3.48Å; T360-Q364 PolarHBondContact O-N 3.35Å; T360-Q364 PolarHBondContact O-NE2 3.33Å; V362-Q364 PolarHBondContact O-N 3.39Å; Q364-L366 PolarHBondContact O-N 2.64Å; Q364-L367 PolarHBondContact O-N 2.86Å; Q364-D368 PolarHBondContact O-N 3.21Å
365	N	98.8	Very high	97.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-54.4	-24.3	170.1	-72.5	-36.4	0	0	0	111.9	R289 E323 T328 L329 A352 V362 D363 L367 D368 A369	R289-N365 PolarHBondContact NH2-ND2 3.12Å; R289-N365 VanDerWaalsContact NH2-ND2 3.16Å; E323-N365 PolarHBondContact OE1-ND2 3.39Å; T328-N365 WeakPolarHBondContact CA-OD1 3.45Å; T328-N365 VanDerWaalsContact CB-OD1 3.29Å; T328-N365 WeakPolarHBondContact CB-OD1 3.4Å; L329-N365 HydrophobicContact CD1-CB 4.11Å; L329-N365 HydrophobicContact CG-CB 4.16Å; L329-N365 PolarHBondContact N-OD1 2.84Å; A352-N365 HydrophobicContact CB-CB 3.92Å; V362-N365 VanDerWaalsContact O-CB 3.24Å; V362-N365 WeakPolarHBondContact O-CB 3.39Å; V362-N365 PolarHBondContact O-N 3.31Å; V362-N365 VanDerWaalsContact O-N 3.1Å; V362-N365 PolarHBondContact O-ND2 3.46Å; V362-N365 VanDerWaalsContact O-ND2 3.15Å; D363-N365 PolarHBondContact O-N 2.94Å; N365-L367 PolarHBondContact O-N 3.32Å; N365-D368 PolarHBondContact O-N 2.99Å; N365-A369 VanDerWaalsContact O-CB 3.23Å; N365-A369 WeakPolarHBondContact O-CB 3.47Å; N365-A369 PolarHBondContact O-N 2.87Å
366	L	98.8	Very high	97.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-59	-43.6	172.5	-68.6	170.8	0	0	0	112.7	A352 D363 Q364 L370 I377 A382 L383 H386 A389	A352-L366 HydrophobicContact CB-CD2 4.21Å; A352-L366 VanDerWaalsContact O-CD2 3.31Å; A352-L366 WeakPolarHBondContact O-CD2 3.26Å; D363-L366 WeakPolarHBondContact O-CB 3.49Å; D363-L366 WeakPolarHBondContact O-CD1 3.39Å; D363-L366 WeakPolarHBondContact O-CG 3.4Å; D363-L366 PolarHBondContact O-N 3.23Å; Q364-L366 PolarHBondContact O-N 2.64Å; L366-L370 WeakPolarHBondContact O-CD1 3.48Å; L366-L370 WeakPolarHBondContact O-CG 3.44Å; L366-L370 PolarHBondContact O-N 3.1Å; L366-I377 HydrophobicContact CD2-CG2 3.99Å; L366-A382 HydrophobicContact CD1-CB 4.11Å; L366-L383 HydrophobicContact CD1-CB 4.35Å; L366-L383 HydrophobicContact CD1-CD1 4.31Å; L366-L383 HydrophobicContact CD2-CD1 4.38Å; L366-H386 HydrophobicContact CD1-CB 4.44Å; L366-A389 HydrophobicContact CB-CB 4.17Å
367	L	98.7	Very high	97.8	Very high	56 Å²	56	47 Å²	47	29%	0.293	26%	0.255	S	S	.	.	H	α-helix	trans	-72.5	-42.5	177.7	-71	169.2	0	0	0	110.5	Q364 N365 A369 L370 L371 V388 A389	Q364-L367 PolarHBondContact O-N 2.86Å; N365-L367 PolarHBondContact O-N 3.32Å; L367-A369 PolarHBondContact O-N 2.83Å; L367-L370 WeakPolarHBondContact O-CB 3.39Å; L367-L370 PolarHBondContact O-N 3.26Å; L367-L370 VanDerWaalsContact O-N 3.15Å; L367-L371 WeakPolarHBondContact O-CG 3.48Å; L367-L371 PolarHBondContact O-N 2.9Å; L367-V388 HydrophobicContact CD2-CG1 4.17Å; L367-A389 HydrophobicContact CD2-CB 3.79Å; L367-A389 HydrophobicContact CG-CB 4.23Å
368	D	98.7	Very high	98	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	23%	0.232	C	C	.	.	H	α-helix	trans	-62.4	-42.1	178.9	-65.4	-28.5	0	0	0	112.1	L329 W330 Q364 N365 L370 L371 L372	L329-D368 HydrophobicContact CB-CB 3.84Å; L329-D368 HydrophobicContact CD1-CB 4.29Å; W330-D368 WeakPolarHBondContact CB-OD2 3.41Å; W330-D368 VanDerWaalsContact CE3-OD1 3.31Å; W330-D368 PolarHBondContact N-OD2 3.12Å; Q364-D368 PolarHBondContact O-N 3.21Å; N365-D368 PolarHBondContact O-N 2.99Å; D368-L370 VanDerWaalsContact C-N 3.27Å; D368-L370 PolarHBondContact O-N 2.85Å; D368-L371 PolarHBondContact O-N 3.45Å; D368-L371 VanDerWaalsContact O-N 3.16Å; D368-L372 WeakPolarHBondContact O-CB 3.46Å; D368-L372 WeakPolarHBondContact O-CG 3.45Å; D368-L372 PolarHBondContact O-N 3.1Å
369	A	98.9	Very high	98.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-59.1	-40.4	175.3	0	0	0	0	0	111.4	L329 F350 A352 N365 L367 L372 N373 T374	L329-A369 HydrophobicContact CD1-CB 3.75Å; F350-A369 HydrophobicContact CB-CB 4.14Å; F350-A369 HydrophobicContact CD2-CB 4.08Å; A352-A369 HydrophobicContact CB-CB 4.13Å; N365-A369 VanDerWaalsContact O-CB 3.23Å; N365-A369 WeakPolarHBondContact O-CB 3.47Å; N365-A369 PolarHBondContact O-N 2.87Å; L367-A369 PolarHBondContact O-N 2.83Å; A369-L372 CarbonylContact O-C 3.59Å; A369-L372 PolarHBondContact O-N 2.98Å; A369-N373 PolarHBondContact O-N 3.34Å; A369-T374 HydrophobicContact CB-CG2 3.9Å; A369-T374 VanDerWaalsContact O-CB 3.28Å; A369-T374 WeakPolarHBondContact O-CB 3.08Å; A369-T374 WeakPolarHBondContact O-CG2 3.31Å; A369-T374 PolarHBondContact O-N 2.86Å
370	L	98.7	Very high	98.4	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.026	18%	0.177	C	C	.	.	H	α-helix	trans	-71.5	-33.6	176.4	-69.1	168.6	0	0	0	112.9	L366 L367 D368 L372 N373 I377 A389 L392 R396 V398	L366-L370 WeakPolarHBondContact O-CD1 3.48Å; L366-L370 WeakPolarHBondContact O-CG 3.44Å; L366-L370 PolarHBondContact O-N 3.1Å; L367-L370 WeakPolarHBondContact O-CB 3.39Å; L367-L370 PolarHBondContact O-N 3.26Å; L367-L370 VanDerWaalsContact O-N 3.15Å; D368-L370 VanDerWaalsContact C-N 3.27Å; D368-L370 PolarHBondContact O-N 2.85Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L370-N373 PolarHBondContact O-N 3Å; L370-I377 HydrophobicContact CD2-CD1 4.19Å; L370-I377 HydrophobicContact CG-CD1 4.27Å; L370-A389 HydrophobicContact CD1-CB 4.01Å; L370-A389 WeakPolarHBondContact CD1-O 3.32Å; L370-L392 HydrophobicContact CD1-CB 4.03Å; L370-R396 PolarHBondContact O-NH1 2.79Å; L370-V398 HydrophobicContact CD2-CB 4.21Å; L370-V398 HydrophobicContact CD2-CG1 4.24Å; L370-V398 HydrophobicContact CD2-CG2 4.13Å
371	L	98.2	Very high	98.4	Very high	117 Å²	117	31.7 Å²	31.7	61%	0.613	17%	0.166	S	C	*	.	H	α-helix	trans	-67.7	-36.3	173.2	-72.9	173.3	0	0	0	111.7	W330 L367 D368 N373	W330-L371 HydrophobicContact CZ3-CD1 4.47Å; L367-L371 WeakPolarHBondContact O-CG 3.48Å; L367-L371 PolarHBondContact O-N 2.9Å; D368-L371 PolarHBondContact O-N 3.45Å; D368-L371 VanDerWaalsContact O-N 3.16Å; L371-N373 PolarHBondContact O-N 3.23Å
372	L	98.2	Very high	98.5	Very high	36 Å²	36	25.1 Å²	25.1	19%	0.188	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	9.5	175.1	-67	168.1	0	0	0	113.3	L329 L336 F350 D368 A369 L370 T374	L329-L372 HydrophobicContact CB-CD1 4.38Å; L336-L372 HydrophobicContact CB-CD1 4.14Å; L336-L372 HydrophobicContact CB-CD2 4.06Å; L336-L372 HydrophobicContact CD1-CD1 3.68Å; F350-L372 HydrophobicContact CE2-CB 3.83Å; F350-L372 HydrophobicContact CE2-CD1 3.76Å; F350-L372 HydrophobicContact CE2-CG 4.46Å; F350-L372 HydrophobicContact CZ-CD1 4.16Å; D368-L372 WeakPolarHBondContact O-CB 3.46Å; D368-L372 WeakPolarHBondContact O-CG 3.45Å; D368-L372 PolarHBondContact O-N 3.1Å; A369-L372 CarbonylContact O-C 3.59Å; A369-L372 PolarHBondContact O-N 2.98Å; L370-L372 VanDerWaalsContact C-N 3.34Å; L372-T374 VanDerWaalsContact C-N 3.33Å; L372-T374 PolarHBondContact O-N 3.48Å
373	N	98.1	Very high	98.6	Very high	118 Å²	118	24.2 Å²	24.2	63%	0.631	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	42.5	178.2	-55.5	-59	0	0	0	113.7	A369 L370 L371	A369-N373 PolarHBondContact O-N 3.34Å; L370-N373 PolarHBondContact O-N 3Å; L371-N373 PolarHBondContact O-N 3.23Å
374	T	98.8	Very high	98.6	Very high	5 Å²	5	27.3 Å²	27.3	3%	0.031	14%	0.144	C	C	.	.			trans	-55.2	141	174.2	-159.2	0	0	0	0	111.6	Y348 F350 A369 L372 R376 I377 V398	Y348-T374 PolarHBondContact O-OG1 3.03Å; Y348-T374 VanDerWaalsContact O-OG1 3.08Å; F350-T374 PolarHBondContact N-OG1 2.85Å; A369-T374 HydrophobicContact CB-CG2 3.9Å; A369-T374 VanDerWaalsContact O-CB 3.28Å; A369-T374 WeakPolarHBondContact O-CB 3.08Å; A369-T374 WeakPolarHBondContact O-CG2 3.31Å; A369-T374 PolarHBondContact O-N 2.86Å; L372-T374 VanDerWaalsContact C-N 3.33Å; L372-T374 PolarHBondContact O-N 3.48Å; T374-R376 WeakPolarHBondContact CG2-O 3.23Å; T374-R376 PolarHBondContact OG1-O 3.31Å; T374-I377 HydrophobicContact CG2-CG1 3.72Å; T374-V398 HydrophobicContact CG2-CG1 3.92Å
375	S	98.7	Very high	98.5	Very high	52 Å²	52	27.8 Å²	27.8	36%	0.364	14%	0.142	S	C	.	.	S	Bend	trans	-77.6	-35.7	179.1	-62	0	0	0	0	111.5	Y348	Y348-S375 WeakPolarHBondContact O-CB 3.41Å; Y348-S375 PolarHBondContact O-N 3.18Å
376	R	98.9	Very high	98.5	Very high	2 Å²	2	29 Å²	29	1%	0.008	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164	172.8	-62.6	-170.6	-61.1	-89.3	-2.4	110	L105 E239 F349 T374 A399 E401 F477	L105-R376 PolarHBondContact O-NH2 3.48Å; E239-R376 IonicContact OE2-CZ 2.64Å; E239-R376 IonicContact OE2-NH1 3.98Å; E239-R376 PolarHBondContact OE2-NH1 2.87Å; E239-R376 IonicContact OE2-NH2 3.04Å; E239-R376 PolarHBondContact OE2-NH2 3.22Å; F349-R376 HydrophobicContact CD1-CB 4.23Å; F349-R376 HydrophobicContact CD1-CG 4.42Å; F349-R376 VanDerWaalsContact CD1-CZ 3.42Å; F349-R376 VanDerWaalsContact CD1-NH2 3.29Å; F349-R376 VanDerWaalsContact CE1-CZ 3.43Å; F349-R376 VanDerWaalsContact CE1-NH1 3.28Å; T374-R376 WeakPolarHBondContact CG2-O 3.23Å; T374-R376 PolarHBondContact OG1-O 3.31Å; R376-A399 WeakPolarHBondContact CA-O 3.38Å; R376-E401 HydrophobicContact CB-CG 4.29Å; R376-E401 IonicContact CZ-OE1 3.78Å; R376-E401 IonicContact NE-OE1 3.51Å; R376-E401 PolarHBondContact NE-OE1 3.35Å; R376-E401 IonicContact NH2-OE1 3.79Å; R376-E401 PolarHBondContact NH2-OE1 3.4Å; R376-F477 VanDerWaalsContact CD-O 3.26Å; R376-F477 WeakPolarHBondContact CD-O 3.33Å; R376-F477 PolarHBondContact NH1-O 3.37Å
377	I	98.9	Very high	98.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	119.1	175.7	-66.1	169.6	0	0	0	108.4	A352 L366 L370 T374 H379 V398 A399 V400 E401	A352-I377 HydrophobicContact CB-CG2 4.15Å; L366-I377 HydrophobicContact CD2-CG2 3.99Å; L370-I377 HydrophobicContact CD2-CD1 4.19Å; L370-I377 HydrophobicContact CG-CD1 4.27Å; T374-I377 HydrophobicContact CG2-CG1 3.72Å; I377-H379 PolarHBondContact O-N 2.61Å; I377-V398 HydrophobicContact CD1-CG1 4.1Å; I377-V398 HydrophobicContact CG1-CG1 3.92Å; I377-A399 PolarHBondContact N-O 3.18Å; I377-V400 HydrophobicContact CB-CG1 4.17Å; I377-V400 HydrophobicContact CG2-CG1 4.33Å; I377-V400 CarbonylContact O-C 3.59Å; I377-V400 WeakPolarHBondContact O-CA 3.36Å; I377-E401 PolarHBondContact O-N 2.99Å
378	G	98.9	Very high	98.4	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	127.6	170.9	0	0	0	0	0	111	F350 A352 G380 E401	F350-G378 PolarHBondContact O-N 2.84Å; A352-G378 PolarHBondContact N-O 2.76Å; G378-G380 VanDerWaalsContact C-N 3.26Å; G378-G380 PolarHBondContact O-N 2.83Å; G378-E401 VanDerWaalsContact CA-OE2 3.26Å; G378-E401 WeakPolarHBondContact CA-OE2 3.42Å; G378-E401 PolarHBondContact N-OE2 3.15Å
379	H	98.8	Very high	98.4	Very high	5 Å²	5	34.5 Å²	34.5	2%	0.023	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.6	-68.6	-172.7	-47.6	-78.7	0	0	0	114.9	H106 H351 E354 I377 F381 E401 N407 D436	H106-H379 AromaticContact CE1-NE2 3.87Å; H106-H379 AromaticContact NE2-CE1 3.99Å; H106-H379 AromaticContact NE2-NE2 3.71Å; H351-H379 AromaticContact CD2-CD2 3.53Å; H351-H379 AromaticContact CD2-NE2 3.3Å; H351-H379 PolarHBondContact CD2-NE2 3.23Å; H351-H379 VanDerWaalsContact CD2-NE2 3.3Å; H351-H379 AromaticContact NE2-NE2 3.61Å; E354-H379 HydrophobicContact CB-CB 3.95Å; E354-H379 HydrophobicContact CG-CB 3.97Å; E354-H379 IonicContact OE1-CE1 3.39Å; E354-H379 IonicContact OE1-ND1 2.67Å; E354-H379 IonicContact OE1-NE2 3.84Å; E354-H379 IonicContact OE2-CD2 3.46Å; E354-H379 IonicContact OE2-NE2 2.88Å; E354-H379 PolarHBondContact OE2-NE2 2.61Å; I377-H379 PolarHBondContact O-N 2.61Å; H379-F381 PolarHBondContact O-N 3.45Å; H379-E401 WeakPolarHBondContact CA-O 3.35Å; H379-E401 PolarHBondContact N-O 3.01Å; H379-N407 PolarHBondContact ND1-ND2 2.92Å; H379-D436 IonicContact CE1-OD2 2.82Å; H379-D436 PolarHBondContact CE1-OD2 3.34Å
380	G	98.5	Very high	98.4	Very high	2 Å²	2	36.1 Å²	36.1	2%	0.021	19%	0.193	C	C	.	.			trans	60.2	30.1	-171.7	0	0	0	0	0	113.2	A352 G378 A382 L383	A352-G380 WeakPolarHBondContact O-CA 3.36Å; A352-G380 PolarHBondContact O-N 3.39Å; G378-G380 VanDerWaalsContact C-N 3.26Å; G378-G380 PolarHBondContact O-N 2.83Å; G380-A382 VanDerWaalsContact C-N 3.32Å; G380-A382 PolarHBondContact O-N 3.18Å; G380-L383 WeakPolarHBondContact O-CB 3.32Å; G380-L383 PolarHBondContact O-N 2.96Å
381	F	98.8	Very high	98.4	Very high	8 Å²	8	39.2 Å²	39.2	4%	0.035	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-58.9	-41.4	-170.8	-173.9	-88.3	0	0	0	112.3	G353 T355 N356 H379 L383 N407 L412 V413 H419 P420	G353-F381 CarbonylContact O-C 3.59Å; G353-F381 WeakPolarHBondContact O-CA 3.24Å; G353-F381 WeakPolarHBondContact O-CB 3.12Å; G353-F381 PolarHBondContact O-N 2.98Å; G353-F381 VanDerWaalsContact O-N 3.12Å; T355-F381 WeakPolarHBondContact O-CD1 3.4Å; N356-F381 WeakPolarHBondContact OD1-CE1 3.35Å; H379-F381 PolarHBondContact O-N 3.45Å; F381-L383 VanDerWaalsContact C-N 3.28Å; F381-L383 PolarHBondContact O-N 2.93Å; F381-N407 HydrophobicContact CD2-CB 4.15Å; F381-N407 HydrophobicContact CE2-CB 4.13Å; F381-L412 HydrophobicContact CD1-CB 4.48Å; F381-L412 HydrophobicContact CD2-CB 4.37Å; F381-L412 HydrophobicContact CD2-CD1 4.28Å; F381-L412 HydrophobicContact CE1-CB 4.04Å; F381-L412 HydrophobicContact CE2-CB 3.91Å; F381-L412 HydrophobicContact CG-CD1 4.28Å; F381-L412 HydrophobicContact CZ-CB 3.74Å; F381-V413 HydrophobicContact CE2-CB 4.3Å; F381-V413 HydrophobicContact CE2-CG1 4.04Å; F381-V413 HydrophobicContact CZ-CB 4.04Å; F381-V413 HydrophobicContact CZ-CG1 4.29Å; F381-H419 AromaticContact CD2-NE2 3.7Å; F381-H419 AromaticContact CE2-CD2 3.92Å; F381-H419 AromaticContact CE2-NE2 3.67Å; F381-P420 HydrophobicContact CD1-CG 4.05Å; F381-P420 HydrophobicContact CD2-CG 3.65Å; F381-P420 HydrophobicContact CE1-CG 4.06Å; F381-P420 VanDerWaalsContact CE2-CD 3.41Å; F381-P420 HydrophobicContact CE2-CG 3.66Å; F381-P420 HydrophobicContact CG-CG 3.86Å; F381-P420 HydrophobicContact CZ-CG 3.86Å; F381-P420 WeakPolarHBondContact O-CB 3.35Å; F381-P420 WeakPolarHBondContact O-CG 3.43Å
382	A	98.6	Very high	98.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-76.6	-5.6	177.7	0	0	0	0	0	114.5	G353 T355 D363 L366 G380 Q384 R385 H386	G353-A382 PolarHBondContact O-N 3.12Å; T355-A382 HydrophobicContact CG2-CB 4.24Å; D363-A382 HydrophobicContact CB-CB 3.89Å; L366-A382 HydrophobicContact CD1-CB 4.11Å; G380-A382 VanDerWaalsContact C-N 3.32Å; G380-A382 PolarHBondContact O-N 3.18Å; A382-Q384 VanDerWaalsContact C-N 3.27Å; A382-Q384 PolarHBondContact O-N 3.18Å; A382-Q384 VanDerWaalsContact O-N 3.09Å; A382-R385 WeakPolarHBondContact O-CB 3.3Å; A382-R385 PolarHBondContact O-N 2.83Å; A382-H386 PolarHBondContact O-CD2 3.37Å
383	L	98.6	Very high	98.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-56.1	-35.7	-168.3	-175.8	64.6	0	0	0	114.2	L366 G380 F381 R385 H386 A389 K390 V400 L424	L366-L383 HydrophobicContact CD1-CB 4.35Å; L366-L383 HydrophobicContact CD1-CD1 4.31Å; L366-L383 HydrophobicContact CD2-CD1 4.38Å; G380-L383 WeakPolarHBondContact O-CB 3.32Å; G380-L383 PolarHBondContact O-N 2.96Å; F381-L383 VanDerWaalsContact C-N 3.28Å; F381-L383 PolarHBondContact O-N 2.93Å; L383-R385 PolarHBondContact O-N 2.89Å; L383-R385 VanDerWaalsContact O-N 3.16Å; L383-H386 PolarHBondContact O-N 3.2Å; L383-A389 HydrophobicContact CD1-CB 3.81Å; L383-K390 HydrophobicContact CD1-CB 4.17Å; L383-K390 HydrophobicContact CG-CB 4.09Å; L383-K390 HydrophobicContact CG-CG 4.35Å; L383-V400 HydrophobicContact CD2-CG1 3.57Å; L383-L424 HydrophobicContact CD2-CD1 4.32Å; L383-L424 HydrophobicContact CD2-CD2 4.49Å
384	Q	97	Very high	98.4	Very high	65 Å²	65	33.8 Å²	33.8	30%	0.304	17%	0.173	S	C	.	.	G	3₁₀ helix	trans	-63.7	-22.2	-178.7	-173.5	62.1	2.4	0	0	113.1	A382 H386 P420 A423	A382-Q384 VanDerWaalsContact C-N 3.27Å; A382-Q384 PolarHBondContact O-N 3.18Å; A382-Q384 VanDerWaalsContact O-N 3.09Å; Q384-H386 VanDerWaalsContact C-N 3.31Å; Q384-P420 HydrophobicContact CB-CB 4.44Å; Q384-A423 HydrophobicContact CG-CB 4.16Å
385	R	96.8	Very high	98.4	Very high	94 Å²	94	40.6 Å²	40.6	36%	0.355	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-85.2	-6.6	177.2	-50	-176.6	-162.1	168.3	7.4	112.6	N356 E358 A382 L383 P387	N356-R385 PolarHBondContact O-NH1 2.77Å; E358-R385 HydrophobicContact CG-CB 4.47Å; E358-R385 WeakPolarHBondContact OE2-CD 3.35Å; E358-R385 IonicContact OE2-NH1 2.7Å; A382-R385 WeakPolarHBondContact O-CB 3.3Å; A382-R385 PolarHBondContact O-N 2.83Å; L383-R385 PolarHBondContact O-N 2.89Å; L383-R385 VanDerWaalsContact O-N 3.16Å; R385-P387 VanDerWaalsContact O-CD 3.3Å; R385-P387 WeakPolarHBondContact O-CD 3.46Å
386	H	98.3	Very high	98.4	Very high	26 Å²	26	44 Å²	44	12%	0.12	21%	0.207	C	C	.	.			trans	-116.1	84.2	-175.9	-75.5	-93.2	0	0	0	111.3	D363 L366 A382 L383 Q384 V388 A389 K390	D363-H386 IonicContact OD2-CD2 3.61Å; D363-H386 IonicContact OD2-CE1 3.03Å; D363-H386 PolarHBondContact OD2-CE1 3.36Å; D363-H386 VanDerWaalsContact OD2-CE1 3.31Å; D363-H386 IonicContact OD2-NE2 2.81Å; D363-H386 PolarHBondContact OD2-NE2 3.2Å; L366-H386 HydrophobicContact CD1-CB 4.44Å; A382-H386 PolarHBondContact O-CD2 3.37Å; L383-H386 PolarHBondContact O-N 3.2Å; Q384-H386 VanDerWaalsContact C-N 3.31Å; H386-V388 VanDerWaalsContact C-N 3.26Å; H386-V388 PolarHBondContact O-N 3.43Å; H386-A389 HydrophobicContact CB-CB 3.78Å; H386-A389 PolarHBondContact O-N 3.4Å; H386-K390 WeakPolarHBondContact O-CB 3.33Å; H386-K390 PolarHBondContact O-N 3.32Å
387	P	97.6	Very high	98.3	Very high	96 Å²	96	51.2 Å²	51.2	62%	0.623	24%	0.235	S	C	*	.	H	α-helix	trans	-59.1	-35.5	-174.5	22.2	-33.3	0	0	0	113.2	R385 D391	R385-P387 VanDerWaalsContact O-CD 3.3Å; R385-P387 WeakPolarHBondContact O-CD 3.46Å; P387-D391 VanDerWaalsContact O-CB 3.27Å; P387-D391 WeakPolarHBondContact O-CB 3.4Å; P387-D391 PolarHBondContact O-N 3.12Å
388	V	98.3	Very high	98.3	Very high	93 Å²	93	51.8 Å²	51.8	56%	0.564	24%	0.238	S	C	*	.	H	α-helix	trans	-68.6	-49.3	177.1	178.4	0	0	0	0	111.1	L367 H386 K390 D391 L392	L367-V388 HydrophobicContact CD2-CG1 4.17Å; H386-V388 VanDerWaalsContact C-N 3.26Å; H386-V388 PolarHBondContact O-N 3.43Å; V388-K390 PolarHBondContact O-N 3.45Å; V388-D391 PolarHBondContact O-N 2.85Å; V388-L392 HydrophobicContact CG1-CD1 3.85Å; V388-L392 HydrophobicContact CG1-CG 4.41Å; V388-L392 WeakPolarHBondContact O-CB 3.31Å; V388-L392 VanDerWaalsContact O-CG 3.29Å; V388-L392 WeakPolarHBondContact O-CG 3.45Å; V388-L392 PolarHBondContact O-N 3.36Å
389	A	98.6	Very high	98.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-64.2	-40.9	178.7	0	0	0	0	0	111.6	L366 L367 L370 L383 H386 L392 S393	L366-A389 HydrophobicContact CB-CB 4.17Å; L367-A389 HydrophobicContact CD2-CB 3.79Å; L367-A389 HydrophobicContact CG-CB 4.23Å; L370-A389 HydrophobicContact CD1-CB 4.01Å; L370-A389 WeakPolarHBondContact CD1-O 3.32Å; L383-A389 HydrophobicContact CD1-CB 3.81Å; H386-A389 HydrophobicContact CB-CB 3.78Å; H386-A389 PolarHBondContact O-N 3.4Å; A389-L392 PolarHBondContact O-N 3.3Å; A389-S393 WeakPolarHBondContact O-CB 3.33Å; A389-S393 PolarHBondContact O-N 3.31Å; A389-S393 PolarHBondContact O-OG 2.98Å
390	K	98.6	Very high	98.3	Very high	34 Å²	34	51.5 Å²	51.5	15%	0.148	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-45.5	176.3	-171.8	176.2	75.7	161.6	0	112	L383 H386 V388 S393 R394 L424 E427 H429	L383-K390 HydrophobicContact CD1-CB 4.17Å; L383-K390 HydrophobicContact CG-CB 4.09Å; L383-K390 HydrophobicContact CG-CG 4.35Å; H386-K390 WeakPolarHBondContact O-CB 3.33Å; H386-K390 PolarHBondContact O-N 3.32Å; V388-K390 PolarHBondContact O-N 3.45Å; K390-S393 WeakPolarHBondContact CA-OG 3.3Å; K390-S393 PolarHBondContact O-OG 3.09Å; K390-R394 VanDerWaalsContact O-CB 3.26Å; K390-R394 WeakPolarHBondContact O-CB 3.28Å; K390-R394 PolarHBondContact O-N 3.34Å; K390-R394 VanDerWaalsContact O-N 3.07Å; K390-L424 HydrophobicContact CD-CD2 3.83Å; K390-L424 HydrophobicContact CG-CD2 4.32Å; K390-E427 WeakPolarHBondContact CE-OE2 3.41Å; K390-E427 VanDerWaalsContact NZ-CD 3.28Å; K390-E427 IonicContact NZ-OE1 3.45Å; K390-E427 PolarHBondContact NZ-OE1 2.91Å; K390-E427 IonicContact NZ-OE2 3.56Å; K390-E427 PolarHBondContact NZ-OE2 3.08Å; K390-H429 PolarHBondContact O-CE1 2.89Å
391	D	98.4	Very high	98.3	Very high	69 Å²	69	51.4 Å²	51.4	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-68.2	-41.9	179	-179.8	62	0	0	0	111.9	P387 V388 R394 K395	P387-D391 VanDerWaalsContact O-CB 3.27Å; P387-D391 WeakPolarHBondContact O-CB 3.4Å; P387-D391 PolarHBondContact O-N 3.12Å; V388-D391 PolarHBondContact O-N 2.85Å; D391-R394 PolarHBondContact O-N 3.44Å; D391-K395 WeakPolarHBondContact O-CB 3.41Å; D391-K395 VanDerWaalsContact O-CG 3.31Å; D391-K395 WeakPolarHBondContact O-CG 3.35Å; D391-K395 PolarHBondContact O-N 2.88Å; D391-K395 WeakPolarHBondContact OD1-CE 3.12Å; D391-K395 IonicContact OD1-NZ 3.37Å; D391-K395 PolarHBondContact OD1-NZ 3.25Å; D391-K395 WeakPolarHBondContact OD2-CD 3.47Å; D391-K395 WeakPolarHBondContact OD2-CE 3.49Å; D391-K395 IonicContact OD2-NZ 2.79Å; D391-K395 PolarHBondContact OD2-NZ 3.2Å
392	L	98.5	Very high	98.3	Very high	52 Å²	52	51.1 Å²	51.1	27%	0.272	24%	0.235	S	C	.	.	H	α-helix	trans	-62.9	-50.1	177	-76	173.7	0	0	0	112.4	L370 V388 A389 R394 K395 R396	L370-L392 HydrophobicContact CD1-CB 4.03Å; V388-L392 HydrophobicContact CG1-CD1 3.85Å; V388-L392 HydrophobicContact CG1-CG 4.41Å; V388-L392 WeakPolarHBondContact O-CB 3.31Å; V388-L392 VanDerWaalsContact O-CG 3.29Å; V388-L392 WeakPolarHBondContact O-CG 3.45Å; V388-L392 PolarHBondContact O-N 3.36Å; A389-L392 PolarHBondContact O-N 3.3Å; L392-R394 VanDerWaalsContact C-N 3.34Å; L392-R394 PolarHBondContact O-N 3.33Å; L392-K395 PolarHBondContact O-N 3.19Å; L392-R396 WeakPolarHBondContact O-CB 3.11Å; L392-R396 VanDerWaalsContact O-CG 3.31Å; L392-R396 WeakPolarHBondContact O-CG 3.43Å; L392-R396 PolarHBondContact O-N 2.99Å
393	S	98.6	Very high	98.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-58.3	-45.6	176.9	50.9	0	0	0	0	111.3	A389 K390 K395 R396 R397 V398 H429	A389-S393 WeakPolarHBondContact O-CB 3.33Å; A389-S393 PolarHBondContact O-N 3.31Å; A389-S393 PolarHBondContact O-OG 2.98Å; K390-S393 WeakPolarHBondContact CA-OG 3.3Å; K390-S393 PolarHBondContact O-OG 3.09Å; S393-K395 PolarHBondContact O-N 2.85Å; S393-R396 CarbonylContact O-C 3.55Å; S393-R396 PolarHBondContact O-N 3.16Å; S393-R397 WeakPolarHBondContact O-CA 3.15Å; S393-R397 PolarHBondContact O-N 3.37Å; S393-V398 PolarHBondContact O-N 3.37Å; S393-H429 PolarHBondContact OG-CE1 2.83Å; S393-H429 PolarHBondContact OG-NE2 3.49Å
394	R	98.2	Very high	98.3	Very high	105 Å²	105	51.1 Å²	51.1	40%	0.396	24%	0.235	S	C	.	.	H	α-helix	trans	-59.9	-48.8	176.5	-169.4	175.3	-172.5	-173.7	1	112.5	K390 D391 L392 R397 E427	K390-R394 VanDerWaalsContact O-CB 3.26Å; K390-R394 WeakPolarHBondContact O-CB 3.28Å; K390-R394 PolarHBondContact O-N 3.34Å; K390-R394 VanDerWaalsContact O-N 3.07Å; D391-R394 PolarHBondContact O-N 3.44Å; L392-R394 VanDerWaalsContact C-N 3.34Å; L392-R394 PolarHBondContact O-N 3.33Å; R394-R397 PolarHBondContact O-N 2.95Å; R394-E427 VanDerWaalsContact CZ-O 3.28Å; R394-E427 PolarHBondContact NH2-O 2.85Å
395	K	98.3	Very high	98.4	Very high	148 Å²	148	48 Å²	48	64%	0.643	22%	0.22	S	C	*	.	H	α-helix	trans	-64.3	-39	-179.8	-77.8	172.5	176.2	167.3	0	112.4	D391 L392 S393 R397	D391-K395 WeakPolarHBondContact O-CB 3.41Å; D391-K395 VanDerWaalsContact O-CG 3.31Å; D391-K395 WeakPolarHBondContact O-CG 3.35Å; D391-K395 PolarHBondContact O-N 2.88Å; D391-K395 WeakPolarHBondContact OD1-CE 3.12Å; D391-K395 IonicContact OD1-NZ 3.37Å; D391-K395 PolarHBondContact OD1-NZ 3.25Å; D391-K395 WeakPolarHBondContact OD2-CD 3.47Å; D391-K395 WeakPolarHBondContact OD2-CE 3.49Å; D391-K395 IonicContact OD2-NZ 2.79Å; D391-K395 PolarHBondContact OD2-NZ 3.2Å; L392-K395 PolarHBondContact O-N 3.19Å; S393-K395 PolarHBondContact O-N 2.85Å; K395-R397 VanDerWaalsContact C-N 3.27Å
396	R	98.1	Very high	98.5	Very high	124 Å²	124	43.6 Å²	43.6	47%	0.468	20%	0.204	S	C	.	.	H	α-helix	trans	-82.5	-4.7	178.5	-65.5	179.9	-176.1	-171.2	3	113.3	L370 L392 S393 V398	L370-R396 PolarHBondContact O-NH1 2.79Å; L392-R396 WeakPolarHBondContact O-CB 3.11Å; L392-R396 VanDerWaalsContact O-CG 3.31Å; L392-R396 WeakPolarHBondContact O-CG 3.43Å; L392-R396 PolarHBondContact O-N 2.99Å; S393-R396 CarbonylContact O-C 3.55Å; S393-R396 PolarHBondContact O-N 3.16Å; R396-V398 VanDerWaalsContact C-N 3.25Å; R396-V398 HydrophobicContact CB-CG2 3.96Å; R396-V398 PolarHBondContact O-N 2.84Å
397	R	97.9	Very high	98.5	Very high	153 Å²	153	42.3 Å²	42.3	58%	0.577	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.8	37.9	-173.6	-62.9	-164.4	60.7	97.3	6	113.2	S393 R394 K395 F477	S393-R397 WeakPolarHBondContact O-CA 3.15Å; S393-R397 PolarHBondContact O-N 3.37Å; R394-R397 PolarHBondContact O-N 2.95Å; K395-R397 VanDerWaalsContact C-N 3.27Å; R397-F477 HydrophobicContact CB-CE1 4.25Å; R397-F477 VanDerWaalsContact NH2-CZ 3.27Å; R397-F477 VanDerWaalsContact O-CE1 3.25Å; R397-F477 WeakPolarHBondContact O-CE1 3.4Å
398	V	98.8	Very high	98.6	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.073	17%	0.169	C	C	.	.			trans	-83.7	114.1	170.8	177.8	0	0	0	0	107.5	L370 T374 I377 S393 R396	L370-V398 HydrophobicContact CD2-CB 4.21Å; L370-V398 HydrophobicContact CD2-CG1 4.24Å; L370-V398 HydrophobicContact CD2-CG2 4.13Å; T374-V398 HydrophobicContact CG2-CG1 3.92Å; I377-V398 HydrophobicContact CD1-CG1 4.1Å; I377-V398 HydrophobicContact CG1-CG1 3.92Å; S393-V398 PolarHBondContact O-N 3.37Å; R396-V398 VanDerWaalsContact C-N 3.25Å; R396-V398 HydrophobicContact CB-CG2 3.96Å; R396-V398 PolarHBondContact O-N 2.84Å
399	A	98.8	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	144.1	-177.8	0	0	0	0	0	112.3	R376 I377 P430 F477	R376-A399 WeakPolarHBondContact CA-O 3.38Å; I377-A399 PolarHBondContact N-O 3.18Å; A399-P430 WeakPolarHBondContact CA-O 3.4Å; A399-P430 HydrophobicContact CB-CB 4.09Å; A399-F477 HydrophobicContact CB-CB 4.01Å; A399-F477 HydrophobicContact CB-CD1 3.79Å; A399-F477 HydrophobicContact CB-CD2 3.68Å; A399-F477 HydrophobicContact CB-CE1 4.12Å; A399-F477 HydrophobicContact CB-CE2 4.03Å; A399-F477 HydrophobicContact CB-CG 3.56Å; A399-F477 HydrophobicContact CB-CZ 4.23Å
400	V	98.9	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	138.7	163.2	-65.4	0	0	0	0	110.6	I377 L383 V402 L424 P430 L431 V432	I377-V400 HydrophobicContact CB-CG1 4.17Å; I377-V400 HydrophobicContact CG2-CG1 4.33Å; I377-V400 CarbonylContact O-C 3.59Å; I377-V400 WeakPolarHBondContact O-CA 3.36Å; L383-V400 HydrophobicContact CD2-CG1 3.57Å; V400-V402 HydrophobicContact CG2-CG2 3.98Å; V400-L424 HydrophobicContact CG2-CD1 3.99Å; V400-P430 PolarHBondContact N-O 3.19Å; V400-L431 HydrophobicContact CG2-CB 3.69Å; V400-L431 VanDerWaalsContact O-CA 3.3Å; V400-L431 WeakPolarHBondContact O-CA 3.39Å; V400-V432 PolarHBondContact O-N 2.67Å
401	E	98.9	Very high	98.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	99.7	176.2	-59.7	160.9	150.9	0	0	108.5	H106 R241 R376 I377 G378 H379 V432	H106-E401 HydrophobicContact CB-CB 3.81Å; H106-E401 HydrophobicContact CB-CG 4.2Å; H106-E401 IonicContact CE1-OE2 3.38Å; H106-E401 IonicContact CG-OE2 3.01Å; H106-E401 IonicContact ND1-OE2 2.96Å; H106-E401 PolarHBondContact ND1-OE2 3.41Å; R241-E401 IonicContact CZ-OE1 3.57Å; R241-E401 IonicContact CZ-OE2 3.13Å; R241-E401 IonicContact NH1-OE1 2.83Å; R241-E401 PolarHBondContact NH1-OE1 3.01Å; R241-E401 IonicContact NH2-OE1 3.39Å; R241-E401 PolarHBondContact NH2-OE1 3.39Å; R241-E401 IonicContact NH2-OE2 2.68Å; R241-E401 PolarHBondContact NH2-OE2 2.87Å; R376-E401 HydrophobicContact CB-CG 4.29Å; R376-E401 IonicContact CZ-OE1 3.78Å; R376-E401 IonicContact NE-OE1 3.51Å; R376-E401 PolarHBondContact NE-OE1 3.35Å; R376-E401 IonicContact NH2-OE1 3.79Å; R376-E401 PolarHBondContact NH2-OE1 3.4Å; I377-E401 PolarHBondContact O-N 2.99Å; G378-E401 VanDerWaalsContact CA-OE2 3.26Å; G378-E401 WeakPolarHBondContact CA-OE2 3.42Å; G378-E401 PolarHBondContact N-OE2 3.15Å; H379-E401 WeakPolarHBondContact CA-O 3.35Å; H379-E401 PolarHBondContact N-O 3.01Å; E401-V432 HydrophobicContact CB-CG2 4.07Å; E401-V432 HydrophobicContact CG-CG2 3.75Å
402	V	98.9	Very high	98.6	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	126.1	-174.1	-177.9	0	0	0	0	109.6	V400 P404 A421 L431 V432 I433 S434 F457	V400-V402 HydrophobicContact CG2-CG2 3.98Å; V402-P404 HydrophobicContact CG1-CG 4.19Å; V402-P404 WeakPolarHBondContact O-CD 3.48Å; V402-A421 HydrophobicContact CG1-CB 3.91Å; V402-A421 HydrophobicContact CG2-CB 4.09Å; V402-L431 HydrophobicContact CG2-CD1 4.31Å; V402-V432 PolarHBondContact N-O 3.02Å; V402-I433 HydrophobicContact CB-CD1 4.04Å; V402-I433 HydrophobicContact CG1-CD1 4.37Å; V402-I433 WeakPolarHBondContact O-CA 3.41Å; V402-S434 PolarHBondContact O-N 3.23Å; V402-F457 HydrophobicContact CG1-CZ 4Å
403	C	98.9	Very high	98.6	Very high	0 Å²	0	29 Å²	29	0%	0	12%	0.119	C	C	.	.			trans	-121.9	78.4	-178.7	-55.9	0	0	0	0	110.3	I405 S406 N407 D436	C403-I405 PolarHBondContact O-N 2.79Å; C403-S406 WeakPolarHBondContact O-CB 3.36Å; C403-S406 PolarHBondContact O-N 3.22Å; C403-N407 VanDerWaalsContact O-CG 3.28Å; C403-N407 PolarHBondContact O-N 3.5Å; C403-N407 PolarHBondContact O-OD1 2.84Å; C403-D436 HydrophobicContact CB-CB 3.82Å
404	P	98.8	Very high	98.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-55.9	-46.8	-168.6	-27.7	35.9	0	0	0	114.7	V402 N407 Q408 L416 D449 E452 F457	V402-P404 HydrophobicContact CG1-CG 4.19Å; V402-P404 WeakPolarHBondContact O-CD 3.48Å; P404-N407 PolarHBondContact O-N 3.46Å; P404-Q408 PolarHBondContact O-N 3.48Å; P404-L416 HydrophobicContact CB-CD1 4.47Å; P404-L416 HydrophobicContact CB-CD2 4.25Å; P404-D449 WeakPolarHBondContact CD-OD1 3.44Å; P404-D449 HydrophobicContact CG-CB 4.48Å; P404-E452 HydrophobicContact CB-CB 3.9Å; P404-E452 HydrophobicContact CG-CB 4.49Å; P404-F457 HydrophobicContact CB-CE1 3.85Å; P404-F457 HydrophobicContact CG-CE1 3.52Å; P404-F457 HydrophobicContact CG-CZ 3.71Å
405	I	98.8	Very high	98.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-69	-41.5	-175.4	-66.9	172.6	0	0	0	110	F80 C403 N407 Q408 V409 F441 D449 E452	F80-I405 HydrophobicContact CB-CG2 4.14Å; F80-I405 HydrophobicContact CD1-CG2 3.71Å; F80-I405 HydrophobicContact CD2-CD1 3.74Å; F80-I405 HydrophobicContact CD2-CG1 3.99Å; F80-I405 HydrophobicContact CD2-CG2 4.3Å; F80-I405 HydrophobicContact CE1-CD1 4.41Å; F80-I405 HydrophobicContact CE1-CG2 4.23Å; F80-I405 HydrophobicContact CE2-CD1 3.54Å; F80-I405 HydrophobicContact CE2-CG1 4.3Å; F80-I405 HydrophobicContact CG-CD1 4.28Å; F80-I405 HydrophobicContact CG-CG1 4.29Å; F80-I405 HydrophobicContact CG-CG2 3.77Å; F80-I405 HydrophobicContact CZ-CD1 3.91Å; C403-I405 PolarHBondContact O-N 2.79Å; I405-N407 PolarHBondContact O-N 3.34Å; I405-Q408 PolarHBondContact O-N 3.2Å; I405-V409 HydrophobicContact CG2-CG2 4Å; I405-V409 WeakPolarHBondContact O-CB 3.43Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.33Å; I405-V409 PolarHBondContact O-N 3.44Å; I405-F441 HydrophobicContact CG2-CB 3.77Å; I405-F441 HydrophobicContact CG2-CD2 3.91Å; I405-F441 HydrophobicContact CG2-CG 4.01Å; I405-D449 WeakPolarHBondContact CB-OD1 3.47Å; I405-D449 WeakPolarHBondContact CG1-OD1 3.07Å; I405-D449 PolarHBondContact N-OD1 2.73Å; I405-D449 VanDerWaalsContact N-OD1 3.08Å; I405-E452 HydrophobicContact CD1-CG 4.24Å; I405-E452 HydrophobicContact CG1-CG 3.87Å
406	S	98.9	Very high	98.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-54.7	-52.9	172.9	-179.9	0	0	0	0	111	C403 Q408 V409 L410 D436	C403-S406 WeakPolarHBondContact O-CB 3.36Å; C403-S406 PolarHBondContact O-N 3.22Å; S406-Q408 PolarHBondContact O-N 2.88Å; S406-V409 PolarHBondContact O-N 2.88Å; S406-L410 VanDerWaalsContact O-CB 3.3Å; S406-L410 WeakPolarHBondContact O-CB 3.32Å; S406-L410 WeakPolarHBondContact O-CG 3.09Å; S406-L410 PolarHBondContact O-N 3.41Å; S406-L410 WeakPolarHBondContact OG-CD1 3.44Å; S406-D436 WeakPolarHBondContact CB-OD2 3.46Å; S406-D436 PolarHBondContact OG-OD2 3.38Å
407	N	98.8	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-32.6	-178.9	-61.5	155.2	0	0	0	112.8	H379 F381 C403 P404 I405 L412 V413 H419	H379-N407 PolarHBondContact ND1-ND2 2.92Å; F381-N407 HydrophobicContact CD2-CB 4.15Å; F381-N407 HydrophobicContact CE2-CB 4.13Å; C403-N407 VanDerWaalsContact O-CG 3.28Å; C403-N407 PolarHBondContact O-N 3.5Å; C403-N407 PolarHBondContact O-OD1 2.84Å; P404-N407 PolarHBondContact O-N 3.46Å; I405-N407 PolarHBondContact O-N 3.34Å; N407-L412 HydrophobicContact CB-CB 4.35Å; N407-L412 HydrophobicContact CB-CD1 4.09Å; N407-L412 WeakPolarHBondContact ND2-CD1 3.31Å; N407-L412 WeakPolarHBondContact O-CA 3.47Å; N407-L412 VanDerWaalsContact O-CB 3.31Å; N407-L412 WeakPolarHBondContact O-CB 3.45Å; N407-L412 PolarHBondContact O-N 3.12Å; N407-V413 PolarHBondContact O-N 2.67Å; N407-H419 PolarHBondContact OD1-NE2 2.78Å; N407-H419 VanDerWaalsContact OD1-NE2 3.07Å
408	Q	98.8	Very high	98.5	Very high	3 Å²	3	23.4 Å²	23.4	1%	0.014	11%	0.108	C	C	.	.	H	α-helix	trans	-74.9	-49.8	175	-168	-172.4	57.7	0	0	112.7	M78 P404 I405 S406 L410 K411 V413 K414 L416	M78-Q408 PolarHBondContact O-NE2 2.85Å; M78-Q408 PolarHBondContact O-OE1 3.42Å; P404-Q408 PolarHBondContact O-N 3.48Å; I405-Q408 PolarHBondContact O-N 3.2Å; S406-Q408 PolarHBondContact O-N 2.88Å; Q408-L410 VanDerWaalsContact C-N 3.31Å; Q408-L410 PolarHBondContact O-N 3.31Å; Q408-K411 WeakPolarHBondContact O-CA 3.19Å; Q408-K411 PolarHBondContact O-N 3.34Å; Q408-V413 WeakPolarHBondContact CA-O 3.43Å; Q408-V413 WeakPolarHBondContact CG-O 3.31Å; Q408-K414 PolarHBondContact NE2-O 3.29Å; Q408-L416 HydrophobicContact CB-CD1 4.43Å; Q408-L416 HydrophobicContact CB-CD2 4.14Å; Q408-L416 HydrophobicContact CB-CG 4.33Å
409	V	98.7	Very high	98.5	Very high	1 Å²	1	23 Å²	23	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-63.7	-39.4	-177.3	171.3	0	0	0	0	110.9	F80 F81 L182 I405 S406 K411 F441	F80-V409 HydrophobicContact CB-CG2 4.39Å; F81-V409 HydrophobicContact CD1-CG2 4.45Å; F81-V409 HydrophobicContact CE1-CG1 4.18Å; F81-V409 HydrophobicContact CE1-CG2 3.68Å; F81-V409 HydrophobicContact CE2-CG1 4.39Å; F81-V409 HydrophobicContact CZ-CB 4.41Å; F81-V409 HydrophobicContact CZ-CG1 3.58Å; F81-V409 HydrophobicContact CZ-CG2 3.89Å; L182-V409 HydrophobicContact CB-CG1 4.37Å; L182-V409 HydrophobicContact CD1-CG1 3.72Å; I405-V409 HydrophobicContact CG2-CG2 4Å; I405-V409 WeakPolarHBondContact O-CB 3.43Å; I405-V409 VanDerWaalsContact O-CG2 3.31Å; I405-V409 WeakPolarHBondContact O-CG2 3.33Å; I405-V409 PolarHBondContact O-N 3.44Å; S406-V409 PolarHBondContact O-N 2.88Å; V409-K411 PolarHBondContact O-N 3.16Å; V409-F441 HydrophobicContact CB-CD1 4Å; V409-F441 HydrophobicContact CB-CE1 4.28Å; V409-F441 HydrophobicContact CG1-CD1 3.71Å; V409-F441 HydrophobicContact CG1-CE1 4.02Å; V409-F441 HydrophobicContact CG2-CB 4.4Å; V409-F441 HydrophobicContact CG2-CD1 4.19Å; V409-F441 HydrophobicContact CG2-CG 4.35Å
410	L	98.6	Very high	98.4	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	9.3	174.9	-57.8	-179.3	0	0	0	113.2	L182 V198 W199 F202 S406 Q408 L412	L182-L410 HydrophobicContact CD1-CD2 4.17Å; V198-L410 HydrophobicContact CG1-CD2 4.42Å; V198-L410 HydrophobicContact CG2-CD2 4.09Å; W199-L410 HydrophobicContact CH2-CD1 4.27Å; W199-L410 HydrophobicContact CZ2-CD1 3.78Å; F202-L410 HydrophobicContact CD1-CD2 4.29Å; F202-L410 HydrophobicContact CE1-CD1 4.47Å; F202-L410 HydrophobicContact CG-CD2 4.36Å; S406-L410 VanDerWaalsContact O-CB 3.3Å; S406-L410 WeakPolarHBondContact O-CB 3.32Å; S406-L410 WeakPolarHBondContact O-CG 3.09Å; S406-L410 PolarHBondContact O-N 3.41Å; S406-L410 WeakPolarHBondContact OG-CD1 3.44Å; Q408-L410 VanDerWaalsContact C-N 3.31Å; Q408-L410 PolarHBondContact O-N 3.31Å; L410-L412 PolarHBondContact O-N 2.89Å
411	K	98.4	Very high	98.4	Very high	33 Å²	33	24.4 Å²	24.4	14%	0.143	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	28.9	170.8	-45.4	-179.4	73.3	73.1	0	115.5	E189 Y192 Q195 V198 Q408 V409	E189-K411 IonicContact OE2-NZ 2.71Å; E189-K411 PolarHBondContact OE2-NZ 3.03Å; Y192-K411 WeakPolarHBondContact O-CD 3.39Å; Y192-K411 WeakPolarHBondContact O-CE 3.31Å; Y192-K411 PolarHBondContact O-NZ 2.81Å; Q195-K411 HydrophobicContact CG-CB 4.04Å; V198-K411 HydrophobicContact CG1-CD 4.3Å; V198-K411 HydrophobicContact CG1-CG 4.26Å; Q408-K411 WeakPolarHBondContact O-CA 3.19Å; Q408-K411 PolarHBondContact O-N 3.34Å; V409-K411 PolarHBondContact O-N 3.16Å
412	L	98.6	Very high	98.3	Very high	10 Å²	10	26.4 Å²	26.4	5%	0.052	13%	0.127	C	C	.	.	S	Bend	trans	-73.2	-39.3	170.6	-64.7	169	0	0	0	111.2	E354 N356 F381 N407 L410	E354-L412 HydrophobicContact CG-CD1 3.57Å; N356-L412 WeakPolarHBondContact ND2-CA 3.3Å; N356-L412 PolarHBondContact ND2-O 3.02Å; N356-L412 PolarHBondContact OD1-O 3.49Å; F381-L412 HydrophobicContact CD1-CB 4.48Å; F381-L412 HydrophobicContact CD2-CB 4.37Å; F381-L412 HydrophobicContact CD2-CD1 4.28Å; F381-L412 HydrophobicContact CE1-CB 4.04Å; F381-L412 HydrophobicContact CE2-CB 3.91Å; F381-L412 HydrophobicContact CG-CD1 4.28Å; F381-L412 HydrophobicContact CZ-CB 3.74Å; N407-L412 HydrophobicContact CB-CB 4.35Å; N407-L412 HydrophobicContact CB-CD1 4.09Å; N407-L412 WeakPolarHBondContact ND2-CD1 3.31Å; N407-L412 WeakPolarHBondContact O-CA 3.47Å; N407-L412 VanDerWaalsContact O-CB 3.31Å; N407-L412 WeakPolarHBondContact O-CB 3.45Å; N407-L412 PolarHBondContact O-N 3.12Å; L410-L412 PolarHBondContact O-N 2.89Å
413	V	98.4	Very high	98.1	Very high	17 Å²	17	27.7 Å²	27.7	10%	0.103	14%	0.138	C	C	.	.			trans	-141	137.8	176.1	60.6	0	0	0	0	110.5	F381 N407 Q408 D415 L416 N418	F381-V413 HydrophobicContact CE2-CB 4.3Å; F381-V413 HydrophobicContact CE2-CG1 4.04Å; F381-V413 HydrophobicContact CZ-CB 4.04Å; F381-V413 HydrophobicContact CZ-CG1 4.29Å; N407-V413 PolarHBondContact O-N 2.67Å; Q408-V413 WeakPolarHBondContact CA-O 3.43Å; Q408-V413 WeakPolarHBondContact CG-O 3.31Å; V413-D415 VanDerWaalsContact CG2-O 3.23Å; V413-D415 WeakPolarHBondContact CG2-O 3.13Å; V413-L416 HydrophobicContact CG1-CD2 3.9Å; V413-N418 HydrophobicContact CG2-CB 4.17Å
414	K	97.3	Very high	98.1	Very high	138 Å²	138	27.9 Å²	27.9	60%	0.6	14%	0.139	S	C	*	.	S	Bend	trans	-83	-44.9	179.2	-69.2	-171.8	172.1	-168.3	0	112.9	E189 Q408	E189-K414 WeakPolarHBondContact OE1-CE 3.48Å; E189-K414 IonicContact OE1-NZ 2.81Å; E189-K414 IonicContact OE2-NZ 2.65Å; Q408-K414 PolarHBondContact NE2-O 3.29Å
415	D	97.9	Very high	98	Very high	26 Å²	26	28 Å²	28	14%	0.139	14%	0.14	C	C	.	.	S	Bend	trans	-113.3	114.7	-176.8	178.5	-14.9	0	0	0	108.7	S77 V413 R417 N418	S77-D415 WeakPolarHBondContact CA-OD1 3.47Å; V413-D415 VanDerWaalsContact CG2-O 3.23Å; V413-D415 WeakPolarHBondContact CG2-O 3.13Å; D415-R417 PolarHBondContact O-N 3.27Å; D415-R417 VanDerWaalsContact O-N 3.08Å; D415-R417 VanDerWaalsContact OD1-CB 3.26Å; D415-R417 WeakPolarHBondContact OD1-CB 3.32Å; D415-R417 VanDerWaalsContact OD1-CG 3.29Å; D415-R417 WeakPolarHBondContact OD1-CG 3.5Å; D415-R417 IonicContact OD1-CZ 3.58Å; D415-R417 PolarHBondContact OD1-N 3.2Å; D415-R417 IonicContact OD1-NE 3.69Å; D415-R417 PolarHBondContact OD1-NE 3.43Å; D415-R417 IonicContact OD1-NH2 2.77Å; D415-R417 IonicContact OD2-CZ 2.91Å; D415-R417 IonicContact OD2-NE 2.78Å; D415-R417 PolarHBondContact OD2-NE 3.33Å; D415-R417 IonicContact OD2-NH2 3.13Å; D415-R417 PolarHBondContact OD2-NH2 3.49Å; D415-N418 WeakPolarHBondContact O-CB 3.23Å; D415-N418 PolarHBondContact O-N 3.06Å
416	L	98.3	Very high	97.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.151	C	C	.	.	G	3₁₀ helix	trans	-67	-11.6	-173	-71.5	169	0	0	0	113.3	P76 P404 Q408 V413 N418 H419 E452 F457	P76-L416 HydrophobicContact CB-CB 4.34Å; P76-L416 WeakPolarHBondContact O-CB 3.47Å; P76-L416 PolarHBondContact O-N 3.02Å; P404-L416 HydrophobicContact CB-CD1 4.47Å; P404-L416 HydrophobicContact CB-CD2 4.25Å; Q408-L416 HydrophobicContact CB-CD1 4.43Å; Q408-L416 HydrophobicContact CB-CD2 4.14Å; Q408-L416 HydrophobicContact CB-CG 4.33Å; V413-L416 HydrophobicContact CG1-CD2 3.9Å; L416-N418 PolarHBondContact O-N 3.06Å; L416-H419 HydrophobicContact CD2-CB 4.42Å; L416-H419 WeakPolarHBondContact O-CB 3.29Å; L416-H419 PolarHBondContact O-N 3.45Å; L416-H419 VanDerWaalsContact O-N 3.13Å; L416-E452 HydrophobicContact CD1-CB 3.92Å; L416-E452 VanDerWaalsContact CD1-CD 3.49Å; L416-E452 HydrophobicContact CD1-CG 3.79Å; L416-E452 WeakPolarHBondContact CD1-OE2 3.49Å; L416-F457 WeakPolarHBondContact O-CB 3.24Å
417	R	96.4	Very high	97.6	Very high	128 Å²	128	32.6 Å²	32.6	48%	0.483	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	-63.4	-25.4	167.8	-60.8	177.1	-69	-175.9	3.6	112.6	F74 D415	F74-R417 HydrophobicContact CE1-CG 3.85Å; D415-R417 PolarHBondContact O-N 3.27Å; D415-R417 VanDerWaalsContact O-N 3.08Å; D415-R417 VanDerWaalsContact OD1-CB 3.26Å; D415-R417 WeakPolarHBondContact OD1-CB 3.32Å; D415-R417 VanDerWaalsContact OD1-CG 3.29Å; D415-R417 WeakPolarHBondContact OD1-CG 3.5Å; D415-R417 IonicContact OD1-CZ 3.58Å; D415-R417 PolarHBondContact OD1-N 3.2Å; D415-R417 IonicContact OD1-NE 3.69Å; D415-R417 PolarHBondContact OD1-NE 3.43Å; D415-R417 IonicContact OD1-NH2 2.77Å; D415-R417 IonicContact OD2-CZ 2.91Å; D415-R417 IonicContact OD2-NE 2.78Å; D415-R417 PolarHBondContact OD2-NE 3.33Å; D415-R417 IonicContact OD2-NH2 3.13Å; D415-R417 PolarHBondContact OD2-NH2 3.49Å
418	N	98	Very high	97.5	Very high	120 Å²	120	34.7 Å²	34.7	64%	0.642	17%	0.173	S	C	*	.	G	3₁₀ helix	trans	-93.1	7.4	177.2	-61.2	-48.7	0	0	0	112.9	V413 D415 L416	V413-N418 HydrophobicContact CG2-CB 4.17Å; D415-N418 WeakPolarHBondContact O-CB 3.23Å; D415-N418 PolarHBondContact O-N 3.06Å; L416-N418 PolarHBondContact O-N 3.06Å
419	H	98.6	Very high	97.5	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.019	17%	0.173	C	C	.	.			trans	-62.3	134.3	-179.7	-166.5	-78.6	0	0	0	110.5	F381 N407 L416 A421 T422 F457	F381-H419 AromaticContact CD2-NE2 3.7Å; F381-H419 AromaticContact CE2-CD2 3.92Å; F381-H419 AromaticContact CE2-NE2 3.67Å; N407-H419 PolarHBondContact OD1-NE2 2.78Å; N407-H419 VanDerWaalsContact OD1-NE2 3.07Å; L416-H419 HydrophobicContact CD2-CB 4.42Å; L416-H419 WeakPolarHBondContact O-CB 3.29Å; L416-H419 PolarHBondContact O-N 3.45Å; L416-H419 VanDerWaalsContact O-N 3.13Å; H419-A421 WeakPolarHBondContact ND1-CB 3.43Å; H419-A421 PolarHBondContact ND1-N 3.36Å; H419-A421 VanDerWaalsContact ND1-N 3.13Å; H419-A421 PolarHBondContact O-N 3.18Å; H419-A421 VanDerWaalsContact O-N 3.1Å; H419-T422 WeakPolarHBondContact O-CB 3.39Å; H419-T422 PolarHBondContact O-N 3.21Å; H419-T422 PolarHBondContact O-OG1 3.1Å; H419-F457 HydrophobicContact CB-CB 4.11Å; H419-F457 HydrophobicContact CB-CD1 3.77Å; H419-F457 HydrophobicContact CB-CE1 4.46Å; H419-F457 HydrophobicContact CB-CG 4.16Å
420	P	97.8	Very high	97.5	Very high	27 Å²	27	35 Å²	35	18%	0.175	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24	-176.2	21.9	-32.5	0	0	0	113.6	F381 Q384 T422 A423	F381-P420 HydrophobicContact CD1-CG 4.05Å; F381-P420 HydrophobicContact CD2-CG 3.65Å; F381-P420 HydrophobicContact CE1-CG 4.06Å; F381-P420 VanDerWaalsContact CE2-CD 3.41Å; F381-P420 HydrophobicContact CE2-CG 3.66Å; F381-P420 HydrophobicContact CG-CG 3.86Å; F381-P420 HydrophobicContact CZ-CG 3.86Å; F381-P420 WeakPolarHBondContact O-CB 3.35Å; F381-P420 WeakPolarHBondContact O-CG 3.43Å; Q384-P420 HydrophobicContact CB-CB 4.44Å; P420-T422 PolarHBondContact O-N 2.85Å; P420-A423 PolarHBondContact O-N 3.03Å
421	A	97.9	Very high	97.5	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.175	C	C	.	.	H	α-helix	trans	-61.1	-18.1	173.7	0	0	0	0	0	114.3	V402 H419 A423 L424 M425 F457	V402-A421 HydrophobicContact CG1-CB 3.91Å; V402-A421 HydrophobicContact CG2-CB 4.09Å; H419-A421 WeakPolarHBondContact ND1-CB 3.43Å; H419-A421 PolarHBondContact ND1-N 3.36Å; H419-A421 VanDerWaalsContact ND1-N 3.13Å; H419-A421 PolarHBondContact O-N 3.18Å; H419-A421 VanDerWaalsContact O-N 3.1Å; A421-A423 VanDerWaalsContact C-N 3.28Å; A421-A423 PolarHBondContact O-N 3.47Å; A421-L424 PolarHBondContact O-N 3.13Å; A421-M425 PolarHBondContact O-N 3.36Å; A421-F457 HydrophobicContact CB-CD2 4.09Å; A421-F457 HydrophobicContact CB-CE2 3.84Å; A421-F457 HydrophobicContact CB-CZ 4.26Å
422	T	97	Very high	97.5	Very high	42 Å²	42	33.4 Å²	33.4	26%	0.258	17%	0.168	S	C	.	.	H	α-helix	trans	-50.5	-51.4	171.6	-53.7	0	0	0	0	110.3	H419 P420 M425 M426 F457	H419-T422 WeakPolarHBondContact O-CB 3.39Å; H419-T422 PolarHBondContact O-N 3.21Å; H419-T422 PolarHBondContact O-OG1 3.1Å; P420-T422 PolarHBondContact O-N 2.85Å; T422-M425 PolarHBondContact O-N 3.31Å; T422-M426 VanDerWaalsContact O-CG 3.29Å; T422-M426 WeakPolarHBondContact O-CG 3.35Å; T422-M426 PolarHBondContact O-N 3.26Å; T422-M426 VanDerWaalsContact O-N 3.09Å; T422-F457 WeakPolarHBondContact CG2-O 3.44Å; T422-F457 WeakPolarHBondContact OG1-CB 3.46Å
423	A	96.4	Very high	97.5	Very high	29 Å²	29	33 Å²	33	24%	0.24	17%	0.166	C	C	.	.	H	α-helix	trans	-67.9	-39	-178	0	0	0	0	0	111.9	Q384 P420 A421 M425 M426 E427	Q384-A423 HydrophobicContact CG-CB 4.16Å; P420-A423 PolarHBondContact O-N 3.03Å; A421-A423 VanDerWaalsContact C-N 3.28Å; A421-A423 PolarHBondContact O-N 3.47Å; A423-M425 VanDerWaalsContact C-N 3.34Å; A423-M425 PolarHBondContact O-N 2.68Å; A423-M426 PolarHBondContact O-N 2.95Å; A423-E427 WeakPolarHBondContact O-CG 3.43Å; A423-E427 PolarHBondContact O-N 3.23Å
424	L	97.7	Very high	97.5	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	16%	0.161	C	C	.	.	H	α-helix	trans	-62.9	-40.7	178.3	-59.1	-176.9	0	0	0	111.7	L383 K390 V400 A421 E427 D428 H429 L431	L383-L424 HydrophobicContact CD2-CD1 4.32Å; L383-L424 HydrophobicContact CD2-CD2 4.49Å; K390-L424 HydrophobicContact CD-CD2 3.83Å; K390-L424 HydrophobicContact CG-CD2 4.32Å; V400-L424 HydrophobicContact CG2-CD1 3.99Å; A421-L424 PolarHBondContact O-N 3.13Å; L424-E427 PolarHBondContact O-N 3.18Å; L424-D428 PolarHBondContact O-N 3.47Å; L424-H429 HydrophobicContact CB-CB 3.92Å; L424-H429 HydrophobicContact CD2-CB 4.26Å; L424-H429 VanDerWaalsContact O-CB 3.24Å; L424-H429 WeakPolarHBondContact O-CB 3.48Å; L424-H429 PolarHBondContact O-N 3.31Å; L424-L431 HydrophobicContact CB-CD2 4.2Å
425	M	96.9	Very high	97.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-65.2	-41.7	173.6	-76.5	-175.7	70.9	0	0	112.2	Q43 I44 A421 T422 A423 E427 D428 L431 F457 L470	Q43-M425 CarbonylContact C-O 3.25Å; Q43-M425 VanDerWaalsContact CA-O 3.27Å; Q43-M425 WeakPolarHBondContact CA-O 3.33Å; I44-M425 HydrophobicContact CG2-CB 4.06Å; I44-M425 HydrophobicContact CG2-CE 3.59Å; I44-M425 HydrophobicContact CG2-CG 4.13Å; I44-M425 PolarHBondContact N-O 3.38Å; A421-M425 PolarHBondContact O-N 3.36Å; T422-M425 PolarHBondContact O-N 3.31Å; A423-M425 VanDerWaalsContact C-N 3.34Å; A423-M425 PolarHBondContact O-N 2.68Å; M425-E427 PolarHBondContact O-N 3.16Å; M425-D428 PolarHBondContact O-N 3.18Å; M425-L431 HydrophobicContact CG-CD1 4.32Å; M425-L431 HydrophobicContact CG-CD2 3.79Å; M425-F457 HydrophobicContact CG-CD2 4.5Å; M425-F457 HydrophobicContact CG-CE2 4.41Å; M425-F457 HydrophobicContact SD-CD2 3.41Å; M425-F457 WeakPolarHBondContact SD-CD2 3.47Å; M425-F457 HydrophobicContact SD-CE2 3.35Å; M425-F457 WeakPolarHBondContact SD-CE2 3.42Å; M425-L470 HydrophobicContact CE-CD1 4.47Å
426	M	95	Very high	97.7	Very high	48 Å²	48	24.6 Å²	24.6	24%	0.236	13%	0.127	C	C	.	.	H	α-helix	trans	-67.3	-21.1	178.4	-66.7	-60.7	119.4	0	0	113.2	M42 Q43 T422 A423 K461	M42-M426 CarbonylContact C-O 3.55Å; M42-M426 VanDerWaalsContact C-O 3.24Å; M42-M426 VanDerWaalsContact O-O 3.13Å; Q43-M426 WeakPolarHBondContact CA-O 3.4Å; Q43-M426 HydrophobicContact CB-CE 4.3Å; Q43-M426 HydrophobicContact CB-SD 4.12Å; Q43-M426 PolarHBondContact N-O 3.23Å; T422-M426 VanDerWaalsContact O-CG 3.29Å; T422-M426 WeakPolarHBondContact O-CG 3.35Å; T422-M426 PolarHBondContact O-N 3.26Å; T422-M426 VanDerWaalsContact O-N 3.09Å; A423-M426 PolarHBondContact O-N 2.95Å; M426-K461 HydrophobicContact CE-CB 4.41Å; M426-K461 HydrophobicContact SD-CD 3.95Å
427	E	95	Very high	97.7	Very high	49 Å²	49	24.7 Å²	24.7	23%	0.229	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.1	3.5	178.1	-67.9	175.6	-157.1	0	0	113.4	M42 K390 R394 A423 L424 M425 H429	M42-E427 CarbonylContact O-C 3.59Å; K390-E427 WeakPolarHBondContact CE-OE2 3.41Å; K390-E427 VanDerWaalsContact NZ-CD 3.28Å; K390-E427 IonicContact NZ-OE1 3.45Å; K390-E427 PolarHBondContact NZ-OE1 2.91Å; K390-E427 IonicContact NZ-OE2 3.56Å; K390-E427 PolarHBondContact NZ-OE2 3.08Å; R394-E427 VanDerWaalsContact CZ-O 3.28Å; R394-E427 PolarHBondContact NH2-O 2.85Å; A423-E427 WeakPolarHBondContact O-CG 3.43Å; A423-E427 PolarHBondContact O-N 3.23Å; L424-E427 PolarHBondContact O-N 3.18Å; M425-E427 PolarHBondContact O-N 3.16Å; E427-H429 PolarHBondContact O-N 2.88Å
428	D	96.1	Very high	97.8	Very high	44 Å²	44	18.7 Å²	18.7	24%	0.235	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.2	44.2	-173.1	-173.5	38.3	0	0	0	110.7	M42 R47 L424 M425	M42-D428 WeakPolarHBondContact O-CB 3.41Å; M42-D428 PolarHBondContact O-N 3.24Å; R47-D428 IonicContact NH2-OD2 2.86Å; R47-D428 PolarHBondContact NH2-OD2 2.77Å; L424-D428 PolarHBondContact O-N 3.47Å; M425-D428 PolarHBondContact O-N 3.18Å
429	H	98.4	Very high	97.7	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	8%	0.079	C	C	.	.			trans	-70.1	144.7	174.6	-165.7	91.7	0	0	0	109.7	K390 S393 L424 E427 L431	K390-H429 PolarHBondContact O-CE1 2.89Å; S393-H429 PolarHBondContact OG-CE1 2.83Å; S393-H429 PolarHBondContact OG-NE2 3.49Å; L424-H429 HydrophobicContact CB-CB 3.92Å; L424-H429 HydrophobicContact CD2-CB 4.26Å; L424-H429 VanDerWaalsContact O-CB 3.24Å; L424-H429 WeakPolarHBondContact O-CB 3.48Å; L424-H429 PolarHBondContact O-N 3.31Å; E427-H429 PolarHBondContact O-N 2.88Å; H429-L431 WeakPolarHBondContact O-CD2 3.37Å; H429-L431 PolarHBondContact O-N 3.39Å
430	P	98.6	Very high	97.6	Very high	9 Å²	9	13.3 Å²	13.3	6%	0.058	8%	0.078	C	C	.	.	S	Bend	trans	-53.6	107.3	170.5	-29.5	37.9	0	0	0	111.7	A399 V400 F477	A399-P430 WeakPolarHBondContact CA-O 3.4Å; A399-P430 HydrophobicContact CB-CB 4.09Å; V400-P430 PolarHBondContact N-O 3.19Å; P430-F477 HydrophobicContact CB-CE1 4.14Å; P430-F477 HydrophobicContact CB-CE2 4.27Å; P430-F477 HydrophobicContact CB-CZ 3.64Å; P430-F477 HydrophobicContact CG-CZ 4.4Å
431	L	98.5	Very high	97.6	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	155	178.1	76.9	104.1	0	0	0	112.3	I44 V400 V402 L424 M425 H429 I433 L470 N473	I44-L431 HydrophobicContact CD1-CD1 4.49Å; I44-L431 HydrophobicContact CD1-CD2 4.2Å; I44-L431 HydrophobicContact CD1-CG 4.06Å; V400-L431 HydrophobicContact CG2-CB 3.69Å; V400-L431 VanDerWaalsContact O-CA 3.3Å; V400-L431 WeakPolarHBondContact O-CA 3.39Å; V402-L431 HydrophobicContact CG2-CD1 4.31Å; L424-L431 HydrophobicContact CB-CD2 4.2Å; M425-L431 HydrophobicContact CG-CD1 4.32Å; M425-L431 HydrophobicContact CG-CD2 3.79Å; H429-L431 WeakPolarHBondContact O-CD2 3.37Å; H429-L431 PolarHBondContact O-N 3.39Å; L431-I433 HydrophobicContact CD1-CD1 3.96Å; L431-L470 HydrophobicContact CD1-CD2 3.61Å; L431-L470 HydrophobicContact CG-CD2 4.32Å; L431-N473 WeakPolarHBondContact O-CB 3.46Å; L431-N473 PolarHBondContact O-ND2 2.91Å
432	V	98.9	Very high	97.5	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.3	173.1	-60.1	0	0	0	0	109.2	L105 V400 E401 V402 N473 F477	L105-V432 HydrophobicContact CB-CG2 4.29Å; L105-V432 HydrophobicContact CD1-CG1 4.18Å; L105-V432 HydrophobicContact CD1-CG2 4.32Å; V400-V432 PolarHBondContact O-N 2.67Å; E401-V432 HydrophobicContact CB-CG2 4.07Å; E401-V432 HydrophobicContact CG-CG2 3.75Å; V402-V432 PolarHBondContact N-O 3.02Å; V432-N473 HydrophobicContact CG1-CB 4Å; V432-F477 HydrophobicContact CG1-CB 4.28Å; V432-F477 HydrophobicContact CG1-CD2 3.94Å
433	I	98.9	Very high	97.5	Very high	2 Å²	2	11.7 Å²	11.7	1%	0.01	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	136.4	172.1	-56.6	-53	0	0	0	108.4	V402 L431 D449 F450 A453 F457 L470	V402-I433 HydrophobicContact CB-CD1 4.04Å; V402-I433 HydrophobicContact CG1-CD1 4.37Å; V402-I433 WeakPolarHBondContact O-CA 3.41Å; L431-I433 HydrophobicContact CD1-CD1 3.96Å; I433-D449 HydrophobicContact CG2-CB 3.85Å; I433-F450 HydrophobicContact CB-CD2 4.15Å; I433-F450 HydrophobicContact CB-CE2 3.9Å; I433-F450 HydrophobicContact CB-CZ 4.35Å; I433-F450 HydrophobicContact CG2-CD2 3.9Å; I433-F450 HydrophobicContact CG2-CE2 4.14Å; I433-A453 HydrophobicContact CD1-CB 3.7Å; I433-A453 HydrophobicContact CG1-CB 3.89Å; I433-A453 HydrophobicContact CG2-CB 4.41Å; I433-F457 HydrophobicContact CD1-CE2 4.46Å; I433-F457 HydrophobicContact CD1-CZ 4.22Å; I433-L470 HydrophobicContact CD1-CD2 4.49Å; I433-L470 HydrophobicContact CG1-CD1 3.99Å; I433-L470 HydrophobicContact CG1-CD2 4.05Å
434	S	98.9	Very high	97.6	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.066	C	C	.	.			trans	-141.8	174.1	175.8	-148.3	0	0	0	0	110.8	V104 L105 H106 V402 D449	V104-S434 WeakPolarHBondContact CG2-OG 3.39Å; L105-S434 PolarHBondContact N-OG 2.97Å; H106-S434 VanDerWaalsContact C-OG 3.24Å; H106-S434 WeakPolarHBondContact CA-OG 3.35Å; H106-S434 PolarHBondContact N-OG 3.44Å; H106-S434 WeakPolarHBondContact O-CB 3.28Å; H106-S434 PolarHBondContact O-OG 3.24Å; V402-S434 PolarHBondContact O-N 3.23Å; S434-D449 WeakPolarHBondContact O-CB 3.4Å
435	S	98.7	Very high	97.6	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	7%	0.071	C	C	.	.			trans	-112.4	-12	-172.5	51.9	0	0	0	0	115.6	D437 P445 D449	S435-D437 PolarHBondContact O-N 3.07Å; S435-P445 WeakPolarHBondContact CB-O 3.23Å; S435-P445 PolarHBondContact OG-O 2.89Å; S435-D449 WeakPolarHBondContact CA-OD2 3.3Å; S435-D449 WeakPolarHBondContact CB-OD2 3.11Å
436	D	98.8	Very high	97.7	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	7%	0.07	C	C	.	.	B	Isolated β-bridge	trans	63.4	-89.7	176.5	-157.1	23.1	0	0	0	112.5	H106 V107 H108 H379 C403 S406 P438 F441	H106-D436 IonicContact CD2-OD1 3.94Å; H106-D436 PolarHBondContact CD2-OD1 2.96Å; H106-D436 IonicContact NE2-OD1 3.31Å; H106-D436 PolarHBondContact NE2-OD1 3.42Å; H106-D436 VanDerWaalsContact NE2-OD1 3.12Å; H106-D436 WeakPolarHBondContact O-CA 3.09Å; H106-D436 PolarHBondContact O-N 3.17Å; V107-D436 VanDerWaalsContact CA-O 3.24Å; V107-D436 WeakPolarHBondContact CA-O 3.45Å; V107-D436 VanDerWaalsContact CG2-O 3.3Å; V107-D436 WeakPolarHBondContact CG2-O 3.47Å; H108-D436 IonicContact CD2-OD1 2.72Å; H108-D436 PolarHBondContact CD2-OD1 3.14Å; H108-D436 PolarHBondContact N-O 3.47Å; H108-D436 IonicContact NE2-OD1 3.16Å; H108-D436 PolarHBondContact NE2-OD1 3.03Å; H379-D436 IonicContact CE1-OD2 2.82Å; H379-D436 PolarHBondContact CE1-OD2 3.34Å; C403-D436 HydrophobicContact CB-CB 3.82Å; S406-D436 WeakPolarHBondContact CB-OD2 3.46Å; S406-D436 PolarHBondContact OG-OD2 3.38Å; D436-P438 VanDerWaalsContact C-CD 3.47Å; D436-P438 WeakPolarHBondContact O-CD 3.27Å; D436-F441 HydrophobicContact CB-CE2 4.34Å
437	D	98.7	Very high	97.9	Very high	3 Å²	3	9.5 Å²	9.5	2%	0.016	6%	0.059	C	C	.	.	S	Bend	trans	-127.2	60.9	-174.8	-61.1	-70.8	0	0	0	111.3	H108 A111 F202 F206 S435 A439 M440 F441	H108-D437 WeakPolarHBondContact CB-OD1 3.47Å; H108-D437 IonicContact CD2-OD1 3.89Å; H108-D437 IonicContact CD2-OD2 3.42Å; H108-D437 IonicContact CG-OD1 3.69Å; A111-D437 HydrophobicContact CB-CB 3.55Å; A111-D437 WeakPolarHBondContact CB-OD1 3.46Å; A111-D437 CarbonylContact O-C 3.4Å; F202-D437 HydrophobicContact CE2-CB 4.12Å; F202-D437 HydrophobicContact CZ-CB 4.01Å; F202-D437 WeakPolarHBondContact CZ-OD2 3.37Å; F206-D437 WeakPolarHBondContact CZ-OD1 3.48Å; S435-D437 PolarHBondContact O-N 3.07Å; D437-A439 VanDerWaalsContact C-N 3.25Å; D437-A439 PolarHBondContact O-N 3.47Å; D437-A439 VanDerWaalsContact O-N 3.11Å; D437-M440 HydrophobicContact CB-CB 3.98Å; D437-M440 HydrophobicContact CB-CG 4.02Å; D437-M440 WeakPolarHBondContact O-CB 3.39Å; D437-M440 PolarHBondContact O-N 3.18Å; D437-F441 HydrophobicContact CB-CE1 4.43Å; D437-F441 HydrophobicContact CB-CE2 3.81Å; D437-F441 HydrophobicContact CB-CZ 3.76Å; D437-F441 VanDerWaalsContact O-CD2 3.26Å; D437-F441 WeakPolarHBondContact O-CD2 3.41Å; D437-F441 PolarHBondContact O-N 2.84Å
438	P	98.4	Very high	98	Very high	2 Å²	2	7.3 Å²	7.3	1%	0.013	5%	0.05	C	C	.	.	H	α-helix	trans	-57.1	-36.2	-168.3	21.5	-33.3	0	0	0	113.6	A111 F230 D436 M440 F441 G442 S443	A111-P438 WeakPolarHBondContact O-CD 3.4Å; F230-P438 HydrophobicContact CZ-CG 4.3Å; D436-P438 VanDerWaalsContact C-CD 3.47Å; D436-P438 WeakPolarHBondContact O-CD 3.27Å; P438-M440 VanDerWaalsContact C-N 3.33Å; P438-M440 PolarHBondContact O-N 3.44Å; P438-F441 PolarHBondContact O-N 3.41Å; P438-G442 WeakPolarHBondContact O-CA 3.35Å; P438-G442 PolarHBondContact O-N 3.34Å; P438-S443 WeakPolarHBondContact CA-OG 3.24Å; P438-S443 WeakPolarHBondContact CB-OG 3.3Å; P438-S443 PolarHBondContact O-N 3.44Å; P438-S443 PolarHBondContact O-OG 3.06Å
439	A	96.6	Very high	98.2	Very high	10 Å²	10	5.2 Å²	5.2	8%	0.083	4%	0.038	C	C	.	.	H	α-helix	trans	-65.8	-35.6	177.4	0	0	0	0	0	112.8	A111 V113 V115 T181 D437 F441 G442	A111-A439 WeakPolarHBondContact O-CB 3.5Å; A111-A439 PolarHBondContact O-N 3.01Å; V113-A439 WeakPolarHBondContact O-CB 3.25Å; V115-A439 HydrophobicContact CG2-CB 4.43Å; T181-A439 PolarHBondContact OG1-O 2.95Å; D437-A439 VanDerWaalsContact C-N 3.25Å; D437-A439 PolarHBondContact O-N 3.47Å; D437-A439 VanDerWaalsContact O-N 3.11Å; A439-F441 VanDerWaalsContact C-N 3.29Å; A439-F441 PolarHBondContact O-N 3.35Å; A439-G442 PolarHBondContact O-N 3.2Å
440	M	96.4	Very high	98.2	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-68.7	-31.7	177.8	-67.7	-69	-177.2	0	0	111.8	A111 T181 L182 F202 A205 F206 L209 D437 P438	A111-M440 HydrophobicContact CB-CG 3.9Å; T181-M440 PolarHBondContact OG1-O 3.37Å; L182-M440 WeakPolarHBondContact CB-O 3.49Å; L182-M440 PolarHBondContact N-O 3Å; F202-M440 HydrophobicContact CD2-CB 4.24Å; F202-M440 HydrophobicContact CD2-CG 4.25Å; F202-M440 HydrophobicContact CE2-CB 3.69Å; F202-M440 HydrophobicContact CE2-CG 3.71Å; A205-M440 HydrophobicContact CB-CE 3.95Å; A205-M440 HydrophobicContact CB-SD 3.69Å; F206-M440 HydrophobicContact CD1-CE 3.9Å; F206-M440 HydrophobicContact CD2-CE 3.99Å; F206-M440 HydrophobicContact CE1-CE 3.93Å; F206-M440 HydrophobicContact CE2-CE 4.03Å; F206-M440 HydrophobicContact CG-CE 3.93Å; F206-M440 HydrophobicContact CZ-CE 4Å; F206-M440 HydrophobicContact CZ-CG 4.5Å; L209-M440 HydrophobicContact CD1-CE 3.21Å; L209-M440 HydrophobicContact CD1-SD 4.44Å; L209-M440 HydrophobicContact CG-CE 4.41Å; D437-M440 HydrophobicContact CB-CB 3.98Å; D437-M440 HydrophobicContact CB-CG 4.02Å; D437-M440 WeakPolarHBondContact O-CB 3.39Å; D437-M440 PolarHBondContact O-N 3.18Å; P438-M440 VanDerWaalsContact C-N 3.33Å; P438-M440 PolarHBondContact O-N 3.44Å
441	F	97.8	Very high	98.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-91.7	-12.4	179	-46.9	-38.5	0	0	0	112.7	F81 L182 F202 I405 V409 D436 D437 P438 A439 S443	F81-F441 HydrophobicContact CE1-CB 4.43Å; F81-F441 VanDerWaalsContact CE1-O 3.28Å; F81-F441 WeakPolarHBondContact CE1-O 3.48Å; L182-F441 HydrophobicContact CD1-CD1 4.3Å; L182-F441 HydrophobicContact CD1-CE1 4.12Å; F202-F441 AromaticContact CE2-CE1 3.94Å; F202-F441 HydrophobicContact CE2-CE1 3.94Å; F202-F441 HydrophobicContact CE2-CZ 4.28Å; F202-F441 HydrophobicContact CZ-CE1 4.38Å; F202-F441 HydrophobicContact CZ-CZ 4.31Å; I405-F441 HydrophobicContact CG2-CB 3.77Å; I405-F441 HydrophobicContact CG2-CD2 3.91Å; I405-F441 HydrophobicContact CG2-CG 4.01Å; V409-F441 HydrophobicContact CB-CD1 4Å; V409-F441 HydrophobicContact CB-CE1 4.28Å; V409-F441 HydrophobicContact CG1-CD1 3.71Å; V409-F441 HydrophobicContact CG1-CE1 4.02Å; V409-F441 HydrophobicContact CG2-CB 4.4Å; V409-F441 HydrophobicContact CG2-CD1 4.19Å; V409-F441 HydrophobicContact CG2-CG 4.35Å; D436-F441 HydrophobicContact CB-CE2 4.34Å; D437-F441 HydrophobicContact CB-CE1 4.43Å; D437-F441 HydrophobicContact CB-CE2 3.81Å; D437-F441 HydrophobicContact CB-CZ 3.76Å; D437-F441 VanDerWaalsContact O-CD2 3.26Å; D437-F441 WeakPolarHBondContact O-CD2 3.41Å; D437-F441 PolarHBondContact O-N 2.84Å; P438-F441 PolarHBondContact O-N 3.41Å; A439-F441 VanDerWaalsContact C-N 3.29Å; A439-F441 PolarHBondContact O-N 3.35Å; F441-S443 VanDerWaalsContact C-N 3.3Å
442	G	96	Very high	98.2	Very high	18 Å²	18	4.9 Å²	4.9	19%	0.186	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.2	32.1	-173	0	0	0	0	0	112.6	R84 P438 A439	R84-G442 WeakPolarHBondContact CD-O 3.45Å; R84-G442 PolarHBondContact NH1-O 3.21Å; P438-G442 WeakPolarHBondContact O-CA 3.35Å; P438-G442 PolarHBondContact O-N 3.34Å; A439-G442 PolarHBondContact O-N 3.2Å
443	S	97.4	Very high	98.2	Very high	18 Å²	18	4.9 Å²	4.9	13%	0.126	4%	0.036	C	C	.	.			trans	-90.8	171.5	174.4	62.9	0	0	0	0	111.6	F80 P438 F441	F80-S443 VanDerWaalsContact CZ-CB 3.49Å; P438-S443 WeakPolarHBondContact CA-OG 3.24Å; P438-S443 WeakPolarHBondContact CB-OG 3.3Å; P438-S443 PolarHBondContact O-N 3.44Å; P438-S443 PolarHBondContact O-OG 3.06Å; F441-S443 VanDerWaalsContact C-N 3.3Å
444	S	97.4	Very high	98.1	Very high	18 Å²	18	5 Å²	5	13%	0.126	4%	0.037	C	C	.	.			trans	-71.7	161.8	167.7	66.6	0	0	0	0	110.7	L446 S447 S448	S444-L446 VanDerWaalsContact C-N 3.31Å; S444-L446 PolarHBondContact O-N 3.47Å; S444-L446 VanDerWaalsContact O-N 3.12Å; S444-S447 PolarHBondContact OG-N 3Å; S444-S448 PolarHBondContact N-OG 2.97Å; S444-S448 PolarHBondContact OG-N 2.92Å; S444-S448 PolarHBondContact OG-OG 2.95Å
445	P	98.3	Very high	98	Very high	20 Å²	20	5 Å²	5	13%	0.13	4%	0.037	C	C	.	.	S	Bend	trans	-50.5	-40.4	-179.4	-29.9	36.6	0	0	0	115.6	Q229 F230 D233 S435	Q229-P445 HydrophobicContact CB-CG 4.04Å; F230-P445 HydrophobicContact CD1-CB 3.56Å; F230-P445 HydrophobicContact CD2-CB 4.34Å; F230-P445 HydrophobicContact CE1-CB 3.61Å; F230-P445 VanDerWaalsContact CE1-O 3.22Å; F230-P445 WeakPolarHBondContact CE1-O 3.27Å; F230-P445 HydrophobicContact CE2-CB 4.37Å; F230-P445 HydrophobicContact CG-CB 3.93Å; F230-P445 HydrophobicContact CZ-CB 4.02Å; D233-P445 HydrophobicContact CB-CB 4Å; D233-P445 HydrophobicContact CB-CG 4.06Å; S435-P445 WeakPolarHBondContact CB-O 3.23Å; S435-P445 PolarHBondContact OG-O 2.89Å
446	L	98.8	Very high	97.9	Very high	0 Å²	0	5.2 Å²	5.2	0%	0	4%	0.039	C	C	.	.	S	Bend	trans	-149.6	-23.2	175	-170.2	56.2	0	0	0	114.7	K101 V104 D233 V235 S444 S448 D449 F450	K101-L446 HydrophobicContact CB-CD2 3.87Å; K101-L446 HydrophobicContact CD-CB 4.15Å; K101-L446 HydrophobicContact CD-CD2 4.16Å; K101-L446 HydrophobicContact CD-CG 4.02Å; V104-L446 HydrophobicContact CB-CD2 4.24Å; V104-L446 HydrophobicContact CG2-CD1 4.38Å; D233-L446 WeakPolarHBondContact OD2-CA 3.22Å; D233-L446 PolarHBondContact OD2-N 2.92Å; V235-L446 HydrophobicContact CG2-CB 3.92Å; V235-L446 HydrophobicContact CG2-CD2 3.67Å; V235-L446 HydrophobicContact CG2-CG 4.45Å; S444-L446 VanDerWaalsContact C-N 3.31Å; S444-L446 PolarHBondContact O-N 3.47Å; S444-L446 VanDerWaalsContact O-N 3.12Å; L446-S448 VanDerWaalsContact C-N 3.34Å; L446-S448 PolarHBondContact O-N 3.49Å; L446-D449 PolarHBondContact O-N 3.06Å; L446-F450 HydrophobicContact CD1-CD2 4.14Å; L446-F450 HydrophobicContact CD1-CE2 4.14Å; L446-F450 HydrophobicContact CD2-CD2 4.27Å; L446-F450 HydrophobicContact CD2-CE2 3.8Å; L446-F450 HydrophobicContact CG-CD2 3.74Å; L446-F450 HydrophobicContact CG-CE2 3.76Å; L446-F450 PolarHBondContact O-N 3.02Å; L446-F450 VanDerWaalsContact O-N 3.15Å
447	S	98.8	Very high	97.6	Very high	0 Å²	0	5.3 Å²	5.3	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.2	-32.7	-174.5	-70.7	0	0	0	0	114.8	L96 Q97 K101 D233 S444 F450 Y451	L96-S447 PolarHBondContact O-OG 3.47Å; Q97-S447 VanDerWaalsContact CA-OG 3.32Å; Q97-S447 WeakPolarHBondContact CA-OG 3.32Å; K101-S447 VanDerWaalsContact CE-OG 3.22Å; K101-S447 WeakPolarHBondContact CE-OG 3.31Å; K101-S447 PolarHBondContact NZ-OG 3.29Å; D233-S447 WeakPolarHBondContact OD1-CB 3Å; D233-S447 PolarHBondContact OD1-OG 3.42Å; D233-S447 PolarHBondContact OD2-N 2.94Å; D233-S447 PolarHBondContact OD2-OG 2.59Å; S444-S447 PolarHBondContact OG-N 3Å; S447-F450 PolarHBondContact O-N 2.78Å; S447-Y451 WeakPolarHBondContact O-CB 3.37Å; S447-Y451 PolarHBondContact O-N 2.81Å
448	S	98.7	Very high	97.3	Very high	4 Å²	4	5.2 Å²	5.2	3%	0.028	4%	0.038	C	C	.	.	H	α-helix	trans	-65.7	-44.5	178.5	-59.9	0	0	0	0	110.5	S444 L446 F450 Y451 E452	S444-S448 PolarHBondContact N-OG 2.97Å; S444-S448 PolarHBondContact OG-N 2.92Å; S444-S448 PolarHBondContact OG-OG 2.95Å; L446-S448 VanDerWaalsContact C-N 3.34Å; L446-S448 PolarHBondContact O-N 3.49Å; S448-F450 PolarHBondContact O-N 2.84Å; S448-Y451 WeakPolarHBondContact O-CB 3.43Å; S448-Y451 PolarHBondContact O-N 3.15Å; S448-Y451 VanDerWaalsContact O-N 3.14Å; S448-E452 WeakPolarHBondContact O-CG 3.39Å; S448-E452 PolarHBondContact O-N 3.05Å
449	D	98.9	Very high	96.9	Very high	0 Å²	0	6 Å²	6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-67	-35.3	176	-66.6	-83.3	0	0	0	112.4	P404 I405 I433 S434 S435 L446 Y451 E452 A453	P404-D449 WeakPolarHBondContact CD-OD1 3.44Å; P404-D449 HydrophobicContact CG-CB 4.48Å; I405-D449 WeakPolarHBondContact CB-OD1 3.47Å; I405-D449 WeakPolarHBondContact CG1-OD1 3.07Å; I405-D449 PolarHBondContact N-OD1 2.73Å; I405-D449 VanDerWaalsContact N-OD1 3.08Å; I433-D449 HydrophobicContact CG2-CB 3.85Å; S434-D449 WeakPolarHBondContact O-CB 3.4Å; S435-D449 WeakPolarHBondContact CA-OD2 3.3Å; S435-D449 WeakPolarHBondContact CB-OD2 3.11Å; L446-D449 PolarHBondContact O-N 3.06Å; D449-Y451 VanDerWaalsContact C-N 3.35Å; D449-E452 PolarHBondContact O-N 3.1Å; D449-A453 VanDerWaalsContact O-CB 3.28Å; D449-A453 WeakPolarHBondContact O-CB 3.48Å; D449-A453 PolarHBondContact O-N 3.34Å
450	F	98.8	Very high	96.4	Very high	3 Å²	3	11.1 Å²	11.1	1%	0.013	8%	0.077	C	C	.	.	H	α-helix	trans	-64.4	-37.9	170.1	-95.7	-101.1	0	0	0	112.6	M99 K101 I433 L446 S447 S448 F454 L467 L470	M99-F450 HydrophobicContact CE-CD1 3.5Å; M99-F450 HydrophobicContact CE-CE1 3.59Å; M99-F450 HydrophobicContact CE-CG 4.34Å; M99-F450 HydrophobicContact CE-CZ 4.49Å; K101-F450 HydrophobicContact CB-CE2 4.03Å; K101-F450 HydrophobicContact CB-CZ 4.06Å; K101-F450 HydrophobicContact CD-CB 4.46Å; K101-F450 HydrophobicContact CD-CD2 3.78Å; K101-F450 HydrophobicContact CD-CE2 4.09Å; K101-F450 HydrophobicContact CD-CG 4.04Å; K101-F450 HydrophobicContact CG-CD1 4.33Å; K101-F450 HydrophobicContact CG-CD2 4.06Å; K101-F450 HydrophobicContact CG-CE1 4.24Å; K101-F450 HydrophobicContact CG-CE2 3.97Å; K101-F450 HydrophobicContact CG-CG 4.21Å; K101-F450 HydrophobicContact CG-CZ 4.04Å; I433-F450 HydrophobicContact CB-CD2 4.15Å; I433-F450 HydrophobicContact CB-CE2 3.9Å; I433-F450 HydrophobicContact CB-CZ 4.35Å; I433-F450 HydrophobicContact CG2-CD2 3.9Å; I433-F450 HydrophobicContact CG2-CE2 4.14Å; L446-F450 HydrophobicContact CD1-CD2 4.14Å; L446-F450 HydrophobicContact CD1-CE2 4.14Å; L446-F450 HydrophobicContact CD2-CD2 4.27Å; L446-F450 HydrophobicContact CD2-CE2 3.8Å; L446-F450 HydrophobicContact CG-CD2 3.74Å; L446-F450 HydrophobicContact CG-CE2 3.76Å; L446-F450 PolarHBondContact O-N 3.02Å; L446-F450 VanDerWaalsContact O-N 3.15Å; S447-F450 PolarHBondContact O-N 2.78Å; S448-F450 PolarHBondContact O-N 2.84Å; F450-F454 WeakPolarHBondContact O-CB 3.36Å; F450-F454 PolarHBondContact O-N 3.16Å; F450-L467 HydrophobicContact CD1-CD2 4.05Å; F450-L470 HydrophobicContact CE1-CB 4.07Å; F450-L470 HydrophobicContact CZ-CB 4.35Å
451	Y	98.7	Very high	95.9	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63	-49.1	174.4	177.2	-81.9	0	0	0	110.8	E68 P75 P76 I87 L92 F93 L96 S447 S448 D449 A453 F454 V455	E68-Y451 PolarHBondContact OE2-OH 3.14Å; P75-Y451 HydrophobicContact CB-CE1 4.26Å; P76-Y451 HydrophobicContact CG-CE1 4.19Å; I87-Y451 HydrophobicContact CB-CE1 4.48Å; I87-Y451 HydrophobicContact CD1-CD1 4.02Å; I87-Y451 HydrophobicContact CD1-CE1 4.05Å; I87-Y451 HydrophobicContact CG1-CD1 3.99Å; I87-Y451 HydrophobicContact CG1-CE1 3.69Å; I87-Y451 HydrophobicContact CG2-CD1 3.89Å; I87-Y451 HydrophobicContact CG2-CD2 4.15Å; I87-Y451 HydrophobicContact CG2-CE1 4.22Å; I87-Y451 HydrophobicContact CG2-CE2 4.43Å; I87-Y451 HydrophobicContact CG2-CG 3.87Å; L92-Y451 HydrophobicContact CD2-CE2 4.38Å; F93-Y451 HydrophobicContact CB-CD2 4.03Å; F93-Y451 HydrophobicContact CB-CE2 4.44Å; F93-Y451 HydrophobicContact CD2-CD2 4.26Å; F93-Y451 HydrophobicContact CD2-CG 4.36Å; L96-Y451 HydrophobicContact CD1-CD2 4.22Å; S447-Y451 WeakPolarHBondContact O-CB 3.37Å; S447-Y451 PolarHBondContact O-N 2.81Å; S448-Y451 WeakPolarHBondContact O-CB 3.43Å; S448-Y451 PolarHBondContact O-N 3.15Å; S448-Y451 VanDerWaalsContact O-N 3.14Å; D449-Y451 VanDerWaalsContact C-N 3.35Å; Y451-A453 VanDerWaalsContact C-N 3.34Å; Y451-A453 PolarHBondContact O-N 2.82Å; Y451-F454 PolarHBondContact O-N 3.16Å; Y451-V455 HydrophobicContact CD1-CG2 4.47Å; Y451-V455 HydrophobicContact CD2-CG2 4.04Å; Y451-V455 HydrophobicContact CE1-CB 4.23Å; Y451-V455 HydrophobicContact CE1-CG1 4.49Å; Y451-V455 HydrophobicContact CE1-CG2 4.29Å; Y451-V455 HydrophobicContact CE2-CG2 3.87Å; Y451-V455 HydrophobicContact CG-CG2 4.33Å; Y451-V455 VanDerWaalsContact O-CB 3.32Å; Y451-V455 WeakPolarHBondContact O-CB 3.49Å; Y451-V455 WeakPolarHBondContact O-CG2 3.38Å; Y451-V455 PolarHBondContact O-N 3.3Å
452	E	98.6	Very high	95.8	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.099	C	C	.	.	I	π-helix	trans	-62.3	-40.9	178.9	-67.6	-60.5	177.4	0	0	112.1	P76 I87 P404 I405 L416 S448 D449 G456 F457	P76-E452 VanDerWaalsContact CA-OE2 3.24Å; P76-E452 WeakPolarHBondContact CA-OE2 3.4Å; P76-E452 WeakPolarHBondContact CB-OE2 3.1Å; P76-E452 WeakPolarHBondContact CG-OE2 3.49Å; I87-E452 VanDerWaalsContact CD1-OE1 3.23Å; I87-E452 WeakPolarHBondContact CD1-OE1 3.35Å; P404-E452 HydrophobicContact CB-CB 3.9Å; P404-E452 HydrophobicContact CG-CB 4.49Å; I405-E452 HydrophobicContact CD1-CG 4.24Å; I405-E452 HydrophobicContact CG1-CG 3.87Å; L416-E452 HydrophobicContact CD1-CB 3.92Å; L416-E452 VanDerWaalsContact CD1-CD 3.49Å; L416-E452 HydrophobicContact CD1-CG 3.79Å; L416-E452 WeakPolarHBondContact CD1-OE2 3.49Å; S448-E452 WeakPolarHBondContact O-CG 3.39Å; S448-E452 PolarHBondContact O-N 3.05Å; D449-E452 PolarHBondContact O-N 3.1Å; E452-G456 WeakPolarHBondContact O-CA 3.33Å; E452-G456 PolarHBondContact O-N 2.72Å; E452-F457 PolarHBondContact O-N 3.29Å
453	A	98.2	Very high	95.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-65.9	-45.3	174.8	0	0	0	0	0	112.4	I433 D449 Y451 F457 G458	I433-A453 HydrophobicContact CD1-CB 3.7Å; I433-A453 HydrophobicContact CG1-CB 3.89Å; I433-A453 HydrophobicContact CG2-CB 4.41Å; D449-A453 VanDerWaalsContact O-CB 3.28Å; D449-A453 WeakPolarHBondContact O-CB 3.48Å; D449-A453 PolarHBondContact O-N 3.34Å; Y451-A453 VanDerWaalsContact C-N 3.34Å; Y451-A453 PolarHBondContact O-N 2.82Å; A453-F457 HydrophobicContact CB-CE1 4.04Å; A453-F457 HydrophobicContact CB-CE2 3.76Å; A453-F457 HydrophobicContact CB-CZ 3.39Å; A453-G458 WeakPolarHBondContact O-CA 3.39Å; A453-G458 PolarHBondContact O-N 3.36Å
454	F	98.1	Very high	95.8	Very high	5 Å²	5	16 Å²	16	2%	0.022	9%	0.092	C	C	.	.	I	π-helix	trans	-73.5	-42.5	-175.2	-175.6	-112.2	0	0	0	112.6	L61 K65 L92 F450 Y451 S462 L467	L61-F454 HydrophobicContact CD2-CE1 4.48Å; K65-F454 HydrophobicContact CD-CD1 4.46Å; K65-F454 HydrophobicContact CD-CE1 3.86Å; K65-F454 HydrophobicContact CD-CZ 4.15Å; K65-F454 WeakPolarHBondContact CE-O 3.31Å; K65-F454 HydrophobicContact CG-CE1 4.45Å; K65-F454 PolarHBondContact NZ-O 3.41Å; L92-F454 HydrophobicContact CD1-CE1 4.19Å; L92-F454 HydrophobicContact CD2-CD1 4.22Å; L92-F454 HydrophobicContact CD2-CE1 4.3Å; F450-F454 WeakPolarHBondContact O-CB 3.36Å; F450-F454 PolarHBondContact O-N 3.16Å; Y451-F454 PolarHBondContact O-N 3.16Å; F454-S462 WeakPolarHBondContact CE2-O 3.48Å; F454-L467 HydrophobicContact CB-CD2 4.06Å; F454-L467 HydrophobicContact CD2-CD1 4.12Å; F454-L467 HydrophobicContact CD2-CD2 3.6Å; F454-L467 HydrophobicContact CD2-CG 3.69Å; F454-L467 HydrophobicContact CE2-CD1 3.91Å; F454-L467 HydrophobicContact CE2-CD2 4.21Å; F454-L467 HydrophobicContact CE2-CG 3.78Å; F454-L467 HydrophobicContact CG-CD2 3.9Å; F454-L467 HydrophobicContact CG-CG 4.36Å; F454-L467 HydrophobicContact CZ-CD1 4.16Å
455	V	96.9	Very high	95.8	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-93.1	-41.2	-174.3	-174.9	0	0	0	0	111.7	E68 M69 F74 P76 L92 Y451	E68-V455 HydrophobicContact CB-CG1 4.27Å; M69-V455 HydrophobicContact CG-CG1 4.49Å; F74-V455 HydrophobicContact CE2-CG1 3.62Å; F74-V455 HydrophobicContact CZ-CG1 3.84Å; P76-V455 HydrophobicContact CG-CB 4.19Å; P76-V455 HydrophobicContact CG-CG1 4.01Å; L92-V455 HydrophobicContact CD2-CG2 3.48Å; L92-V455 VanDerWaalsContact CD2-CG2 3.48Å; Y451-V455 HydrophobicContact CD1-CG2 4.47Å; Y451-V455 HydrophobicContact CD2-CG2 4.04Å; Y451-V455 HydrophobicContact CE1-CB 4.23Å; Y451-V455 HydrophobicContact CE1-CG1 4.49Å; Y451-V455 HydrophobicContact CE1-CG2 4.29Å; Y451-V455 HydrophobicContact CE2-CG2 3.87Å; Y451-V455 HydrophobicContact CG-CG2 4.33Å; Y451-V455 VanDerWaalsContact O-CB 3.32Å; Y451-V455 WeakPolarHBondContact O-CB 3.49Å; Y451-V455 WeakPolarHBondContact O-CG2 3.38Å; Y451-V455 PolarHBondContact O-N 3.3Å
456	G	95.2	Very high	95.8	Very high	4 Å²	4	14.1 Å²	14.1	4%	0.041	8%	0.079	C	C	.	.	I	π-helix	trans	-73.1	-89.4	-177.3	0	0	0	0	0	113	P76 E452 G459	P76-G456 VanDerWaalsContact CB-CA 3.43Å; E452-G456 WeakPolarHBondContact O-CA 3.33Å; E452-G456 PolarHBondContact O-N 2.72Å; G456-G459 PolarHBondContact O-N 3.31Å
457	F	92.4	Very high	95.8	Very high	5 Å²	5	14.3 Å²	14.3	2%	0.022	8%	0.08	C	C	.	.	I	π-helix	trans	-80.1	-20	-177.3	51	-93.8	0	0	0	114.4	V402 P404 L416 H419 A421 T422 M425 I433 E452 A453 G459	V402-F457 HydrophobicContact CG1-CZ 4Å; P404-F457 HydrophobicContact CB-CE1 3.85Å; P404-F457 HydrophobicContact CG-CE1 3.52Å; P404-F457 HydrophobicContact CG-CZ 3.71Å; L416-F457 WeakPolarHBondContact O-CB 3.24Å; H419-F457 HydrophobicContact CB-CB 4.11Å; H419-F457 HydrophobicContact CB-CD1 3.77Å; H419-F457 HydrophobicContact CB-CE1 4.46Å; H419-F457 HydrophobicContact CB-CG 4.16Å; A421-F457 HydrophobicContact CB-CD2 4.09Å; A421-F457 HydrophobicContact CB-CE2 3.84Å; A421-F457 HydrophobicContact CB-CZ 4.26Å; T422-F457 WeakPolarHBondContact CG2-O 3.44Å; T422-F457 WeakPolarHBondContact OG1-CB 3.46Å; M425-F457 HydrophobicContact CG-CD2 4.5Å; M425-F457 HydrophobicContact CG-CE2 4.41Å; M425-F457 HydrophobicContact SD-CD2 3.41Å; M425-F457 WeakPolarHBondContact SD-CD2 3.47Å; M425-F457 HydrophobicContact SD-CE2 3.35Å; M425-F457 WeakPolarHBondContact SD-CE2 3.42Å; I433-F457 HydrophobicContact CD1-CE2 4.46Å; I433-F457 HydrophobicContact CD1-CZ 4.22Å; E452-F457 PolarHBondContact O-N 3.29Å; A453-F457 HydrophobicContact CB-CE1 4.04Å; A453-F457 HydrophobicContact CB-CE2 3.76Å; A453-F457 HydrophobicContact CB-CZ 3.39Å; F457-G459 PolarHBondContact O-N 2.94Å
458	G	92.4	Very high	95.8	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.01	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-24.1	170.9	0	0	0	0	0	113.3	A453 S462	A453-G458 WeakPolarHBondContact O-CA 3.39Å; A453-G458 PolarHBondContact O-N 3.36Å; G458-S462 VanDerWaalsContact C-OG 3.22Å; G458-S462 WeakPolarHBondContact CA-OG 3.4Å; G458-S462 WeakPolarHBondContact O-CB 3.4Å; G458-S462 PolarHBondContact O-N 2.88Å; G458-S462 VanDerWaalsContact O-N 3.16Å; G458-S462 PolarHBondContact O-OG 3.14Å
459	G	89.9	Confident	95.8	Very high	19 Å²	19	17.5 Å²	17.5	20%	0.196	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-165.6	176.3	0	0	0	0	0	114.3	K65 G456 F457 K461 S462	K65-G459 WeakPolarHBondContact CE-O 3.29Å; K65-G459 PolarHBondContact NZ-O 3.37Å; G456-G459 PolarHBondContact O-N 3.31Å; F457-G459 PolarHBondContact O-N 2.94Å; G459-K461 PolarHBondContact O-N 3.48Å; G459-K461 VanDerWaalsContact O-N 3.09Å; G459-S462 PolarHBondContact O-N 3.4Å
460	V	86.4	Confident	95.8	Very high	118 Å²	118	17.8 Å²	17.8	72%	0.715	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-28.9	-180	-177.4	0	0	0	0	112.4	M69 S462	M69-V460 HydrophobicContact CE-CB 4.5Å; M69-V460 HydrophobicContact CE-CG2 3.43Å; M69-V460 VanDerWaalsContact CE-CG2 3.43Å; M69-V460 HydrophobicContact SD-CB 4.34Å; M69-V460 HydrophobicContact SD-CG2 3.54Å; M69-V460 VanDerWaalsContact SD-CG2 3.54Å; V460-S462 PolarHBondContact O-N 3.2Å
461	K	86.9	Confident	95.8	Very high	98 Å²	98	17.6 Å²	17.6	43%	0.426	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-26.5	-173.1	-65.2	-174	172.6	-174.8	0	113.9	E39 Q43 M426 G459 H463	E39-K461 IonicContact OE2-NZ 3.44Å; E39-K461 PolarHBondContact OE2-NZ 3.49Å; Q43-K461 PolarHBondContact NE2-O 2.99Å; Q43-K461 VanDerWaalsContact NE2-O 3.13Å; Q43-K461 VanDerWaalsContact OE1-CB 3.31Å; Q43-K461 PolarHBondContact OE1-O 2.82Å; M426-K461 HydrophobicContact CE-CB 4.41Å; M426-K461 HydrophobicContact SD-CD 3.95Å; G459-K461 PolarHBondContact O-N 3.48Å; G459-K461 VanDerWaalsContact O-N 3.09Å; K461-H463 PolarHBondContact O-CD2 2.85Å
462	S	94	Very high	95.8	Very high	4 Å²	4	19.1 Å²	19.1	3%	0.028	10%	0.103	C	C	.	.			trans	-70.7	134.4	178.2	-65.1	0	0	0	0	111.6	K65 F454 G458 G459 V460	K65-S462 PolarHBondContact NZ-O 2.9Å; F454-S462 WeakPolarHBondContact CE2-O 3.48Å; G458-S462 VanDerWaalsContact C-OG 3.22Å; G458-S462 WeakPolarHBondContact CA-OG 3.4Å; G458-S462 WeakPolarHBondContact O-CB 3.4Å; G458-S462 PolarHBondContact O-N 2.88Å; G458-S462 VanDerWaalsContact O-N 3.16Å; G458-S462 PolarHBondContact O-OG 3.14Å; G459-S462 PolarHBondContact O-N 3.4Å; V460-S462 PolarHBondContact O-N 3.2Å
463	H	96	Very high	95.8	Very high	36 Å²	36	19.5 Å²	19.5	17%	0.167	11%	0.105	C	C	.	.			trans	-138.1	-176	-169.7	65.4	97.6	0	0	0	110.3	G45 D58 K461 G465 S466 L467	G45-H463 PolarHBondContact O-CE1 3.31Å; D58-H463 VanDerWaalsContact OD1-CB 3.29Å; D58-H463 WeakPolarHBondContact OD1-CB 3.37Å; K461-H463 PolarHBondContact O-CD2 2.85Å; H463-G465 PolarHBondContact ND1-N 2.92Å; H463-G465 VanDerWaalsContact ND1-N 3.17Å; H463-G465 PolarHBondContact O-N 3.42Å; H463-G465 VanDerWaalsContact O-N 3.15Å; H463-S466 PolarHBondContact CD2-OG 3.49Å; H463-S466 PolarHBondContact N-OG 3.1Å; H463-S466 WeakPolarHBondContact O-CA 3.41Å; H463-S466 VanDerWaalsContact O-CB 3.29Å; H463-S466 WeakPolarHBondContact O-CB 3.39Å; H463-S466 PolarHBondContact O-N 3.44Å; H463-L467 PolarHBondContact O-N 2.85Å
464	V	97.9	Very high	95.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-58.2	-31.5	-177.5	75.3	0	0	0	0	112.6	L50 L57 D58 L61 S466 L467 K468 W496	L50-V464 HydrophobicContact CD1-CG1 3.46Å; L50-V464 VanDerWaalsContact CD1-CG1 3.46Å; L50-V464 HydrophobicContact CD2-CG1 3.77Å; L50-V464 HydrophobicContact CG-CG1 4.24Å; L57-V464 HydrophobicContact CD2-CG2 3.86Å; L57-V464 HydrophobicContact CG-CG2 4.18Å; D58-V464 HydrophobicContact CB-CB 4.09Å; D58-V464 HydrophobicContact CB-CG1 3.64Å; D58-V464 WeakPolarHBondContact OD1-CB 3.41Å; D58-V464 WeakPolarHBondContact OD1-CG1 3.35Å; D58-V464 PolarHBondContact OD1-N 3.44Å; L61-V464 HydrophobicContact CD1-CB 3.9Å; L61-V464 HydrophobicContact CD1-CG2 3.96Å; V464-S466 VanDerWaalsContact C-N 3.34Å; V464-L467 PolarHBondContact O-N 2.69Å; V464-K468 VanDerWaalsContact O-CB 3.32Å; V464-K468 WeakPolarHBondContact O-CB 2.85Å; V464-K468 PolarHBondContact O-N 3.48Å; V464-W496 HydrophobicContact CG2-CH2 3.94Å; V464-W496 HydrophobicContact CG2-CZ2 3.89Å
465	G	98.1	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.8	-37.2	174.7	0	0	0	0	0	112.1	G45 H463 K468 Q469	G45-G465 WeakPolarHBondContact CA-O 3.46Å; H463-G465 PolarHBondContact ND1-N 2.92Å; H463-G465 VanDerWaalsContact ND1-N 3.17Å; H463-G465 PolarHBondContact O-N 3.42Å; H463-G465 VanDerWaalsContact O-N 3.15Å; G465-K468 PolarHBondContact O-N 2.83Å; G465-Q469 VanDerWaalsContact O-CB 3.32Å; G465-Q469 WeakPolarHBondContact O-CB 3.39Å; G465-Q469 PolarHBondContact O-N 3.01Å
466	S	98.1	Very high	96	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.6	-47.7	174.7	-48.2	0	0	0	0	111.1	I44 H463 V464 K468 Q469 L470	I44-S466 WeakPolarHBondContact O-CA 3.42Å; I44-S466 WeakPolarHBondContact O-CB 3.37Å; I44-S466 PolarHBondContact O-OG 2.92Å; H463-S466 PolarHBondContact CD2-OG 3.49Å; H463-S466 PolarHBondContact N-OG 3.1Å; H463-S466 WeakPolarHBondContact O-CA 3.41Å; H463-S466 VanDerWaalsContact O-CB 3.29Å; H463-S466 WeakPolarHBondContact O-CB 3.39Å; H463-S466 PolarHBondContact O-N 3.44Å; V464-S466 VanDerWaalsContact C-N 3.34Å; S466-K468 PolarHBondContact O-N 2.81Å; S466-Q469 PolarHBondContact O-N 3.42Å; S466-L470 VanDerWaalsContact O-CG 3.3Å; S466-L470 WeakPolarHBondContact O-CG 3.21Å; S466-L470 PolarHBondContact O-N 3.06Å
467	L	98.7	Very high	96.2	Very high	4 Å²	4	24.3 Å²	24.3	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-60.5	-46.4	176.8	-67.3	173.8	0	0	0	111.9	L61 L96 M99 F450 F454 H463 V464 Q469 L470 A471	L61-L467 HydrophobicContact CD1-CD1 3.96Å; L96-L467 HydrophobicContact CD2-CD1 3.88Å; L96-L467 HydrophobicContact CD2-CD2 3.95Å; M99-L467 HydrophobicContact CE-CB 4.4Å; M99-L467 HydrophobicContact CE-CD2 4.18Å; M99-L467 HydrophobicContact SD-CB 3.79Å; M99-L467 HydrophobicContact SD-CD1 3.97Å; M99-L467 HydrophobicContact SD-CD2 4.25Å; M99-L467 HydrophobicContact SD-CG 4.22Å; F450-L467 HydrophobicContact CD1-CD2 4.05Å; F454-L467 HydrophobicContact CB-CD2 4.06Å; F454-L467 HydrophobicContact CD2-CD1 4.12Å; F454-L467 HydrophobicContact CD2-CD2 3.6Å; F454-L467 HydrophobicContact CD2-CG 3.69Å; F454-L467 HydrophobicContact CE2-CD1 3.91Å; F454-L467 HydrophobicContact CE2-CD2 4.21Å; F454-L467 HydrophobicContact CE2-CG 3.78Å; F454-L467 HydrophobicContact CG-CD2 3.9Å; F454-L467 HydrophobicContact CG-CG 4.36Å; F454-L467 HydrophobicContact CZ-CD1 4.16Å; H463-L467 PolarHBondContact O-N 2.85Å; V464-L467 PolarHBondContact O-N 2.69Å; L467-Q469 PolarHBondContact O-N 3.43Å; L467-L470 PolarHBondContact O-N 3.43Å; L467-A471 PolarHBondContact O-N 2.92Å; L467-A471 VanDerWaalsContact O-N 3.09Å
468	K	98.8	Very high	96.5	Very high	26 Å²	26	24.5 Å²	24.5	11%	0.113	12%	0.124	C	C	.	.	H	α-helix	trans	-61.5	-42.7	178.3	-167.2	-178	-178.9	177.2	0	111.6	M48 E54 V464 G465 S466 A471 I472 W492 W496	M48-K468 HydrophobicContact CE-CB 4.16Å; M48-K468 HydrophobicContact CE-CD 4.33Å; M48-K468 HydrophobicContact CE-CG 4.06Å; M48-K468 HydrophobicContact SD-CB 3.7Å; M48-K468 HydrophobicContact SD-CD 3.85Å; M48-K468 HydrophobicContact SD-CG 3.93Å; E54-K468 WeakPolarHBondContact OE1-CE 3.48Å; E54-K468 IonicContact OE1-NZ 2.68Å; E54-K468 PolarHBondContact OE1-NZ 2.86Å; E54-K468 IonicContact OE2-NZ 3.71Å; V464-K468 VanDerWaalsContact O-CB 3.32Å; V464-K468 WeakPolarHBondContact O-CB 2.85Å; V464-K468 PolarHBondContact O-N 3.48Å; G465-K468 PolarHBondContact O-N 2.83Å; S466-K468 PolarHBondContact O-N 2.81Å; K468-A471 PolarHBondContact O-N 3.48Å; K468-I472 HydrophobicContact CG-CD1 4.38Å; K468-I472 WeakPolarHBondContact O-CG1 3.37Å; K468-I472 PolarHBondContact O-N 2.97Å; K468-W492 HydrophobicContact CG-CH2 3.64Å; K468-W492 HydrophobicContact CG-CZ2 4.25Å; K468-W496 HydrophobicContact CB-CH2 3.84Å; K468-W496 HydrophobicContact CB-CZ2 3.72Å; K468-W496 HydrophobicContact CB-CZ3 4.49Å; K468-W496 HydrophobicContact CD-CZ2 3.91Å; K468-W496 HydrophobicContact CG-CD2 4.35Å; K468-W496 HydrophobicContact CG-CH2 4.23Å; K468-W496 HydrophobicContact CG-CZ2 3.77Å
469	Q	98.8	Very high	96.8	Very high	45 Å²	45	25.8 Å²	25.8	21%	0.21	14%	0.135	C	C	.	.	H	α-helix	trans	-66.4	-40.4	178.2	-171.6	61.5	74.3	0	0	111.9	I44 M48 G465 S466 L467 I472 N473	I44-Q469 HydrophobicContact CD1-CG 4.29Å; I44-Q469 HydrophobicContact CG1-CB 3.99Å; I44-Q469 HydrophobicContact CG1-CG 3.58Å; M48-Q469 HydrophobicContact CE-CB 3.54Å; M48-Q469 HydrophobicContact CE-CG 4.19Å; M48-Q469 VanDerWaalsContact CE-OE1 3.29Å; M48-Q469 HydrophobicContact SD-CB 4.15Å; G465-Q469 VanDerWaalsContact O-CB 3.32Å; G465-Q469 WeakPolarHBondContact O-CB 3.39Å; G465-Q469 PolarHBondContact O-N 3.01Å; S466-Q469 PolarHBondContact O-N 3.42Å; L467-Q469 PolarHBondContact O-N 3.43Å; Q469-I472 PolarHBondContact O-N 2.92Å; Q469-N473 PolarHBondContact NE2-OD1 2.74Å; Q469-N473 VanDerWaalsContact O-CB 3.31Å; Q469-N473 WeakPolarHBondContact O-CB 3.4Å; Q469-N473 PolarHBondContact O-N 2.99Å; Q469-N473 PolarHBondContact O-OD1 2.98Å
470	L	98.8	Very high	97.2	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.026	13%	0.128	C	C	.	.	H	α-helix	trans	-62.8	-42.7	176.9	-72.4	169.9	0	0	0	112	I44 M425 L431 I433 F450 S466 L467 N473 S474	I44-L470 HydrophobicContact CD1-CD2 3.5Å; I44-L470 VanDerWaalsContact CD1-CD2 3.5Å; I44-L470 HydrophobicContact CD1-CG 4.06Å; M425-L470 HydrophobicContact CE-CD1 4.47Å; L431-L470 HydrophobicContact CD1-CD2 3.61Å; L431-L470 HydrophobicContact CG-CD2 4.32Å; I433-L470 HydrophobicContact CD1-CD2 4.49Å; I433-L470 HydrophobicContact CG1-CD1 3.99Å; I433-L470 HydrophobicContact CG1-CD2 4.05Å; F450-L470 HydrophobicContact CE1-CB 4.07Å; F450-L470 HydrophobicContact CZ-CB 4.35Å; S466-L470 VanDerWaalsContact O-CG 3.3Å; S466-L470 WeakPolarHBondContact O-CG 3.21Å; S466-L470 PolarHBondContact O-N 3.06Å; L467-L470 PolarHBondContact O-N 3.43Å; L470-N473 WeakPolarHBondContact O-CB 3.48Å; L470-N473 PolarHBondContact O-N 2.9Å; L470-S474 PolarHBondContact O-N 3.35Å
471	A	98.9	Very high	97.7	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-66.9	-36.8	176	0	0	0	0	0	113	K101 L467 K468 S474 W492	K101-A471 WeakPolarHBondContact O-CA 3.28Å; K101-A471 WeakPolarHBondContact O-CB 3.32Å; L467-A471 PolarHBondContact O-N 2.92Å; L467-A471 VanDerWaalsContact O-N 3.09Å; K468-A471 PolarHBondContact O-N 3.48Å; A471-S474 PolarHBondContact O-OG 3.36Å; A471-W492 HydrophobicContact CB-CZ2 3.69Å
472	I	98.9	Very high	98.3	Very high	32 Å²	32	22.9 Å²	22.9	16%	0.164	12%	0.124	C	C	.	.	H	α-helix	trans	-67.5	-42	172.4	-69.8	173.8	0	0	0	110.6	M48 K468 Q469 S474 I475 R476 L489 W492	M48-I472 HydrophobicContact CE-CD1 3.82Å; K468-I472 HydrophobicContact CG-CD1 4.38Å; K468-I472 WeakPolarHBondContact O-CG1 3.37Å; K468-I472 PolarHBondContact O-N 2.97Å; Q469-I472 PolarHBondContact O-N 2.92Å; I472-S474 VanDerWaalsContact C-N 3.3Å; I472-S474 PolarHBondContact O-N 3.04Å; I472-I475 PolarHBondContact O-N 2.97Å; I472-R476 HydrophobicContact CG2-CG 3.84Å; I472-R476 WeakPolarHBondContact O-CG 3.35Å; I472-R476 PolarHBondContact O-N 3.01Å; I472-L489 HydrophobicContact CB-CD2 4.38Å; I472-L489 HydrophobicContact CG1-CD2 4.1Å; I472-L489 HydrophobicContact CG2-CD2 4.09Å; I472-W492 HydrophobicContact CD1-CH2 3.86Å; I472-W492 HydrophobicContact CD1-CZ3 3.82Å; I472-W492 HydrophobicContact CG1-CE3 4.19Å; I472-W492 HydrophobicContact CG1-CH2 3.53Å; I472-W492 HydrophobicContact CG1-CZ2 4.23Å; I472-W492 HydrophobicContact CG1-CZ3 3.53Å
473	N	98.9	Very high	98.5	Very high	7 Å²	7	29.7 Å²	29.7	4%	0.037	15%	0.153	C	C	.	.	H	α-helix	trans	-58.7	-41.9	178.8	-77.1	1.3	0	0	0	111.3	L431 V432 Q469 L470 I475 R476 F477	L431-N473 WeakPolarHBondContact O-CB 3.46Å; L431-N473 PolarHBondContact O-ND2 2.91Å; V432-N473 HydrophobicContact CG1-CB 4Å; Q469-N473 PolarHBondContact NE2-OD1 2.74Å; Q469-N473 VanDerWaalsContact O-CB 3.31Å; Q469-N473 WeakPolarHBondContact O-CB 3.4Å; Q469-N473 PolarHBondContact O-N 2.99Å; Q469-N473 PolarHBondContact O-OD1 2.98Å; L470-N473 WeakPolarHBondContact O-CB 3.48Å; L470-N473 PolarHBondContact O-N 2.9Å; N473-I475 PolarHBondContact O-N 3.2Å; N473-I475 VanDerWaalsContact O-N 3.15Å; N473-R476 PolarHBondContact O-N 2.01Å; N473-R476 VanDerWaalsContact O-N 3.16Å; N473-F477 HydrophobicContact CB-CD2 3.85Å; N473-F477 HydrophobicContact CB-CE2 3.92Å; N473-F477 WeakPolarHBondContact O-CB 3.42Å; N473-F477 VanDerWaalsContact O-CD2 3.22Å; N473-F477 WeakPolarHBondContact O-CD2 3.1Å; N473-F477 PolarHBondContact O-N 3.16Å
474	S	98.9	Very high	98.6	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-23.2	177.7	69.8	0	0	0	0	113.2	K101 A103 L105 L470 A471 I472	K101-S474 PolarHBondContact O-OG 2.89Å; A103-S474 WeakPolarHBondContact CB-O 3.27Å; A103-S474 PolarHBondContact N-OG 2.95Å; A103-S474 VanDerWaalsContact O-CB 3.26Å; A103-S474 WeakPolarHBondContact O-CB 3.32Å; L105-S474 VanDerWaalsContact CD1-O 3.27Å; L105-S474 WeakPolarHBondContact CD1-O 3.01Å; L470-S474 PolarHBondContact O-N 3.35Å; A471-S474 PolarHBondContact O-OG 3.36Å; I472-S474 VanDerWaalsContact C-N 3.3Å; I472-S474 PolarHBondContact O-N 3.04Å
475	I	98.9	Very high	98.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	16%	0.161	C	C	.	.	H	α-helix	trans	-87.9	-43.8	172.7	-59.7	165.4	0	0	0	110.4	I472 N473 F477 S478 Q485 A488 L489 W492	I472-I475 PolarHBondContact O-N 2.97Å; N473-I475 PolarHBondContact O-N 3.2Å; N473-I475 VanDerWaalsContact O-N 3.15Å; I475-F477 VanDerWaalsContact C-N 3.31Å; I475-F477 PolarHBondContact O-N 3.06Å; I475-S478 WeakPolarHBondContact O-CB 3.24Å; I475-S478 PolarHBondContact O-N 3.33Å; I475-S478 PolarHBondContact O-OG 2.75Å; I475-Q485 HydrophobicContact CG2-CB 4.28Å; I475-A488 HydrophobicContact CG2-CB 3.74Å; I475-L489 HydrophobicContact CB-CD2 4.14Å; I475-L489 HydrophobicContact CB-CG 4.22Å; I475-L489 HydrophobicContact CD1-CD2 3.72Å; I475-L489 HydrophobicContact CD1-CG 4.14Å; I475-L489 HydrophobicContact CG2-CD1 4.37Å; I475-L489 HydrophobicContact CG2-CD2 4.29Å; I475-L489 HydrophobicContact CG2-CG 3.82Å; I475-W492 HydrophobicContact CD1-CB 3.7Å; I475-W492 HydrophobicContact CD1-CG 3.89Å
476	R	98.8	Very high	98.7	Very high	86 Å²	86	35.8 Å²	35.8	33%	0.325	18%	0.181	S	C	.	.	H	α-helix	trans	-66.4	-29.2	-177.3	-69.3	-63.2	-173.3	-165.1	-2.5	114.3	I472 N473 Q485 E486 L489	I472-R476 HydrophobicContact CG2-CG 3.84Å; I472-R476 WeakPolarHBondContact O-CG 3.35Å; I472-R476 PolarHBondContact O-N 3.01Å; N473-R476 PolarHBondContact O-N 2.01Å; N473-R476 VanDerWaalsContact O-N 3.16Å; R476-Q485 PolarHBondContact O-NE2 2.97Å; R476-Q485 VanDerWaalsContact O-NE2 3.1Å; R476-E486 IonicContact CZ-OE1 3.19Å; R476-E486 VanDerWaalsContact CZ-OE1 3.23Å; R476-E486 IonicContact CZ-OE2 2.91Å; R476-E486 IonicContact NH1-OE1 2.63Å; R476-E486 PolarHBondContact NH1-OE1 3.1Å; R476-E486 IonicContact NH1-OE2 2.7Å; R476-E486 VanDerWaalsContact NH2-CD 3.35Å; R476-E486 IonicContact NH2-OE1 2.82Å; R476-E486 PolarHBondContact NH2-OE1 3.24Å; R476-E486 IonicContact NH2-OE2 3.64Å; R476-E486 PolarHBondContact NH2-OE2 3.19Å; R476-L489 HydrophobicContact CG-CD1 4.45Å
477	F	98.8	Very high	98.7	Very high	21 Å²	21	40.1 Å²	40.1	9%	0.092	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.5	2.3	177.1	-62.1	-63.9	0	0	0	113.1	L105 R376 R397 A399 P430 V432 N473 I475	L105-F477 HydrophobicContact CD1-CB 4.32Å; R376-F477 VanDerWaalsContact CD-O 3.26Å; R376-F477 WeakPolarHBondContact CD-O 3.33Å; R376-F477 PolarHBondContact NH1-O 3.37Å; R397-F477 HydrophobicContact CB-CE1 4.25Å; R397-F477 VanDerWaalsContact NH2-CZ 3.27Å; R397-F477 VanDerWaalsContact O-CE1 3.25Å; R397-F477 WeakPolarHBondContact O-CE1 3.4Å; A399-F477 HydrophobicContact CB-CB 4.01Å; A399-F477 HydrophobicContact CB-CD1 3.79Å; A399-F477 HydrophobicContact CB-CD2 3.68Å; A399-F477 HydrophobicContact CB-CE1 4.12Å; A399-F477 HydrophobicContact CB-CE2 4.03Å; A399-F477 HydrophobicContact CB-CG 3.56Å; A399-F477 HydrophobicContact CB-CZ 4.23Å; P430-F477 HydrophobicContact CB-CE1 4.14Å; P430-F477 HydrophobicContact CB-CE2 4.27Å; P430-F477 HydrophobicContact CB-CZ 3.64Å; P430-F477 HydrophobicContact CG-CZ 4.4Å; V432-F477 HydrophobicContact CG1-CB 4.28Å; V432-F477 HydrophobicContact CG1-CD2 3.94Å; N473-F477 HydrophobicContact CB-CD2 3.85Å; N473-F477 HydrophobicContact CB-CE2 3.92Å; N473-F477 WeakPolarHBondContact O-CB 3.42Å; N473-F477 VanDerWaalsContact O-CD2 3.22Å; N473-F477 WeakPolarHBondContact O-CD2 3.1Å; N473-F477 PolarHBondContact O-N 3.16Å; I475-F477 VanDerWaalsContact C-N 3.31Å; I475-F477 PolarHBondContact O-N 3.06Å
478	S	98.9	Very high	98.7	Very high	8 Å²	8	40 Å²	40	6%	0.056	20%	0.201	C	C	.	.	S	Bend	trans	-62.9	159.4	170.9	69	0	0	0	0	111.3	E239 I475 L480 Q485	E239-S478 WeakPolarHBondContact OE1-CB 3.43Å; I475-S478 WeakPolarHBondContact O-CB 3.24Å; I475-S478 PolarHBondContact O-N 3.33Å; I475-S478 PolarHBondContact O-OG 2.75Å; S478-L480 PolarHBondContact O-N 3.11Å; S478-L480 VanDerWaalsContact OG-CB 3.3Å; S478-L480 WeakPolarHBondContact OG-CB 3.07Å; S478-L480 WeakPolarHBondContact OG-CG 3.29Å; S478-L480 PolarHBondContact OG-N 3.18Å; S478-Q485 PolarHBondContact O-NE2 3.43Å
479	A	98.5	Very high	98.7	Very high	28 Å²	28	39.7 Å²	39.7	23%	0.231	20%	0.2	C	C	.	.	S	Bend	trans	-69.2	-8.1	171.8	0	0	0	0	0	112.9	E239 R282 A315 F349	E239-A479 WeakPolarHBondContact OE1-CA 3.34Å; E239-A479 VanDerWaalsContact OE1-CB 3.25Å; E239-A479 WeakPolarHBondContact OE1-CB 3.37Å; E239-A479 PolarHBondContact OE1-N 2.87Å; E239-A479 PolarHBondContact OE2-N 3.45Å; R282-A479 PolarHBondContact NH1-O 3.45Å; A315-A479 HydrophobicContact CB-CB 3.71Å; F349-A479 HydrophobicContact CE1-CB 4.49Å; F349-A479 HydrophobicContact CZ-CB 3.97Å
480	L	98.6	Very high	98.7	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.047	21%	0.213	C	C	.	.	S	Bend	trans	-51.8	144	176	-65.2	179.1	0	0	0	111.3	Y237 Y279 S478 Q484 Q485 A488	Y237-L480 HydrophobicContact CD1-CD1 4.4Å; Y237-L480 HydrophobicContact CD2-CD2 4.5Å; Y237-L480 HydrophobicContact CE1-CD1 4.26Å; Y237-L480 HydrophobicContact CE1-CD2 4.42Å; Y237-L480 HydrophobicContact CE1-CG 4.02Å; Y237-L480 HydrophobicContact CE2-CD1 4.38Å; Y237-L480 HydrophobicContact CE2-CD2 3.69Å; Y237-L480 HydrophobicContact CE2-CG 4.14Å; Y279-L480 HydrophobicContact CD1-CD1 3.78Å; Y279-L480 HydrophobicContact CD1-CD2 4.27Å; Y279-L480 HydrophobicContact CE1-CD1 3.4Å; Y279-L480 VanDerWaalsContact CE1-CD1 3.4Å; Y279-L480 HydrophobicContact CE1-CD2 3.63Å; Y279-L480 HydrophobicContact CE1-CG 4.15Å; S478-L480 PolarHBondContact O-N 3.11Å; S478-L480 VanDerWaalsContact OG-CB 3.3Å; S478-L480 WeakPolarHBondContact OG-CB 3.07Å; S478-L480 WeakPolarHBondContact OG-CG 3.29Å; S478-L480 PolarHBondContact OG-N 3.18Å; L480-Q484 HydrophobicContact CB-CB 3.84Å; L480-Q484 HydrophobicContact CD1-CB 4.47Å; L480-Q484 HydrophobicContact CD2-CB 4.19Å; L480-Q484 HydrophobicContact CG-CB 4.4Å; L480-Q485 HydrophobicContact CB-CG 3.74Å; L480-Q485 PolarHBondContact O-NE2 3.47Å; L480-A488 HydrophobicContact CD1-CB 4.16Å
481	T	98	Very high	98.7	Very high	63 Å²	63	42.6 Å²	42.6	39%	0.387	22%	0.22	S	C	.	.			trans	-61.9	156.9	172.9	63	0	0	0	0	110.5	K483 Q484 Q485	T481-K483 PolarHBondContact O-N 3.49Å; T481-K483 VanDerWaalsContact O-N 3.1Å; T481-Q484 WeakPolarHBondContact O-CA 3.29Å; T481-Q484 WeakPolarHBondContact O-CB 3.35Å; T481-Q484 PolarHBondContact O-N 3.26Å; T481-Q484 WeakPolarHBondContact OG1-CB 3.5Å; T481-Q484 VanDerWaalsContact OG1-CG 3.27Å; T481-Q484 WeakPolarHBondContact OG1-CG 3.4Å; T481-Q484 PolarHBondContact OG1-N 3.44Å; T481-Q484 PolarHBondContact OG1-OE1 3.27Å; T481-Q485 WeakPolarHBondContact O-CG 3.4Å; T481-Q485 PolarHBondContact O-N 3.43Å
482	P	98.2	Very high	98.7	Very high	103 Å²	103	42.7 Å²	42.7	67%	0.669	22%	0.22	S	C	*	.	H	α-helix	trans	-52.4	-38.4	179.1	-29.7	36	0	0	0	113.8	Q485 E486	P482-Q485 PolarHBondContact O-N 2.99Å; P482-E486 PolarHBondContact O-N 3.3Å
483	K	98.5	Very high	98.7	Very high	147 Å²	147	44.5 Å²	44.5	64%	0.639	23%	0.228	S	C	*	.	H	α-helix	trans	-62.8	-49.2	175.2	-177.9	-177	173.4	-168.7	0	111.7	T481 Q485 E486 E487	T481-K483 PolarHBondContact O-N 3.49Å; T481-K483 VanDerWaalsContact O-N 3.1Å; K483-Q485 VanDerWaalsContact C-N 3.29Å; K483-Q485 PolarHBondContact O-N 2.99Å; K483-E486 PolarHBondContact O-N 3.49Å; K483-E487 WeakPolarHBondContact CE-OE1 3.39Å; K483-E487 IonicContact NZ-OE1 3.73Å; K483-E487 WeakPolarHBondContact O-CG 3.49Å; K483-E487 PolarHBondContact O-N 3.13Å; K483-E487 VanDerWaalsContact O-N 3.09Å
484	Q	98.6	Very high	98.6	Very high	44 Å²	44	52.4 Å²	52.4	21%	0.206	26%	0.257	C	S	.	.	H	α-helix	trans	-62.1	-36.6	178.1	-76.1	171.1	-41.8	0	0	112	Y279 L480 T481 E486 E487 A488	Y279-Q484 HydrophobicContact CE1-CB 4.4Å; Y279-Q484 WeakPolarHBondContact OH-CA 3.39Å; Y279-Q484 WeakPolarHBondContact OH-CB 3.35Å; Y279-Q484 VanDerWaalsContact OH-CG 3.3Å; Y279-Q484 WeakPolarHBondContact OH-CG 3.2Å; Y279-Q484 PolarHBondContact OH-O 2.88Å; L480-Q484 HydrophobicContact CB-CB 3.84Å; L480-Q484 HydrophobicContact CD1-CB 4.47Å; L480-Q484 HydrophobicContact CD2-CB 4.19Å; L480-Q484 HydrophobicContact CG-CB 4.4Å; T481-Q484 WeakPolarHBondContact O-CA 3.29Å; T481-Q484 WeakPolarHBondContact O-CB 3.35Å; T481-Q484 PolarHBondContact O-N 3.26Å; T481-Q484 WeakPolarHBondContact OG1-CB 3.5Å; T481-Q484 VanDerWaalsContact OG1-CG 3.27Å; T481-Q484 WeakPolarHBondContact OG1-CG 3.4Å; T481-Q484 PolarHBondContact OG1-N 3.44Å; T481-Q484 PolarHBondContact OG1-OE1 3.27Å; Q484-E486 PolarHBondContact O-N 3.37Å; Q484-E487 PolarHBondContact O-N 2.56Å; Q484-A488 WeakPolarHBondContact O-CB 3.44Å; Q484-A488 PolarHBondContact O-N 3.48Å
485	Q	98.8	Very high	98.6	Very high	27 Å²	27	53.7 Å²	53.7	13%	0.126	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-41.4	174.9	-67.7	-177.8	-4.9	0	0	112.1	I475 R476 S478 L480 T481 P482 K483 L489	I475-Q485 HydrophobicContact CG2-CB 4.28Å; R476-Q485 PolarHBondContact O-NE2 2.97Å; R476-Q485 VanDerWaalsContact O-NE2 3.1Å; S478-Q485 PolarHBondContact O-NE2 3.43Å; L480-Q485 HydrophobicContact CB-CG 3.74Å; L480-Q485 PolarHBondContact O-NE2 3.47Å; T481-Q485 WeakPolarHBondContact O-CG 3.4Å; T481-Q485 PolarHBondContact O-N 3.43Å; P482-Q485 PolarHBondContact O-N 2.99Å; K483-Q485 VanDerWaalsContact C-N 3.29Å; K483-Q485 PolarHBondContact O-N 2.99Å; Q485-L489 WeakPolarHBondContact O-CB 3.13Å; Q485-L489 WeakPolarHBondContact O-CD1 3.08Å; Q485-L489 VanDerWaalsContact O-CG 3.28Å; Q485-L489 WeakPolarHBondContact O-CG 3.35Å; Q485-L489 PolarHBondContact O-N 2.91Å
486	E	98.8	Very high	98.6	Very high	93 Å²	93	53.6 Å²	53.6	44%	0.435	26%	0.262	S	S	.	.	H	α-helix	trans	-66	-41.6	175.6	-63.1	-53.4	154.5	0	0	112	R476 P482 K483 Q484 L489 V490	R476-E486 IonicContact CZ-OE1 3.19Å; R476-E486 VanDerWaalsContact CZ-OE1 3.23Å; R476-E486 IonicContact CZ-OE2 2.91Å; R476-E486 IonicContact NH1-OE1 2.63Å; R476-E486 PolarHBondContact NH1-OE1 3.1Å; R476-E486 IonicContact NH1-OE2 2.7Å; R476-E486 VanDerWaalsContact NH2-CD 3.35Å; R476-E486 IonicContact NH2-OE1 2.82Å; R476-E486 PolarHBondContact NH2-OE1 3.24Å; R476-E486 IonicContact NH2-OE2 3.64Å; R476-E486 PolarHBondContact NH2-OE2 3.19Å; P482-E486 PolarHBondContact O-N 3.3Å; K483-E486 PolarHBondContact O-N 3.49Å; Q484-E486 PolarHBondContact O-N 3.37Å; E486-L489 PolarHBondContact O-N 3.14Å; E486-V490 WeakPolarHBondContact O-CG2 3.47Å; E486-V490 PolarHBondContact O-N 3.32Å
487	E	98.6	Very high	98.6	Very high	91 Å²	91	53.3 Å²	53.3	43%	0.425	27%	0.27	S	S	.	.	H	α-helix	trans	-60.5	-46.7	175.8	-70.2	169.5	172.9	0	0	111.3	Y279 K483 Q484 L489 V490 L491	Y279-E487 HydrophobicContact CE2-CB 4.08Å; K483-E487 WeakPolarHBondContact CE-OE1 3.39Å; K483-E487 IonicContact NZ-OE1 3.73Å; K483-E487 WeakPolarHBondContact O-CG 3.49Å; K483-E487 PolarHBondContact O-N 3.13Å; K483-E487 VanDerWaalsContact O-N 3.09Å; Q484-E487 PolarHBondContact O-N 2.56Å; E487-L489 VanDerWaalsContact C-N 3.34Å; E487-L489 PolarHBondContact O-N 3Å; E487-V490 PolarHBondContact O-N 3.25Å; E487-L491 PolarHBondContact O-N 3.28Å; E487-L491 VanDerWaalsContact O-N 3.11Å
488	A	98.8	Very high	98.5	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.008	30%	0.3	C	S	.	.	H	α-helix	trans	-61.4	-39.9	175.5	0	0	0	0	0	112.1	M236 Y279 I475 L480 Q484 L491 W492	M236-A488 HydrophobicContact CE-CB 4.44Å; Y279-A488 HydrophobicContact CD1-CB 4.27Å; Y279-A488 HydrophobicContact CD2-CB 3.68Å; Y279-A488 HydrophobicContact CE1-CB 4.28Å; Y279-A488 HydrophobicContact CE2-CB 3.67Å; Y279-A488 HydrophobicContact CG-CB 4Å; I475-A488 HydrophobicContact CG2-CB 3.74Å; L480-A488 HydrophobicContact CD1-CB 4.16Å; Q484-A488 WeakPolarHBondContact O-CB 3.44Å; Q484-A488 PolarHBondContact O-N 3.48Å; A488-L491 PolarHBondContact O-N 3.38Å; A488-W492 VanDerWaalsContact O-CB 3.31Å; A488-W492 WeakPolarHBondContact O-CB 3.5Å; A488-W492 PolarHBondContact O-N 2.8Å
489	L	98.9	Very high	98.5	Very high	19 Å²	19	60.4 Å²	60.4	10%	0.099	30%	0.3	C	S	.	.	H	α-helix	trans	-68.6	-36.7	177.7	-78.3	163.9	0	0	0	113.2	I472 I475 R476 Q485 E486 E487 L491 W492 Q493	I472-L489 HydrophobicContact CB-CD2 4.38Å; I472-L489 HydrophobicContact CG1-CD2 4.1Å; I472-L489 HydrophobicContact CG2-CD2 4.09Å; I475-L489 HydrophobicContact CB-CD2 4.14Å; I475-L489 HydrophobicContact CB-CG 4.22Å; I475-L489 HydrophobicContact CD1-CD2 3.72Å; I475-L489 HydrophobicContact CD1-CG 4.14Å; I475-L489 HydrophobicContact CG2-CD1 4.37Å; I475-L489 HydrophobicContact CG2-CD2 4.29Å; I475-L489 HydrophobicContact CG2-CG 3.82Å; R476-L489 HydrophobicContact CG-CD1 4.45Å; Q485-L489 WeakPolarHBondContact O-CB 3.13Å; Q485-L489 WeakPolarHBondContact O-CD1 3.08Å; Q485-L489 VanDerWaalsContact O-CG 3.28Å; Q485-L489 WeakPolarHBondContact O-CG 3.35Å; Q485-L489 PolarHBondContact O-N 2.91Å; E486-L489 PolarHBondContact O-N 3.14Å; E487-L489 VanDerWaalsContact C-N 3.34Å; E487-L489 PolarHBondContact O-N 3Å; L489-L491 VanDerWaalsContact C-N 3.34Å; L489-W492 HydrophobicContact CD2-CE3 4.3Å; L489-W492 PolarHBondContact O-N 3.4Å; L489-Q493 WeakPolarHBondContact O-CB 3.48Å; L489-Q493 PolarHBondContact O-N 3.2Å
490	V	98.7	Very high	98.5	Very high	80 Å²	80	59.4 Å²	59.4	49%	0.485	29%	0.291	S	S	.	.	H	α-helix	trans	-62.5	-45.1	173.4	169	0	0	0	0	110.4	E486 E487 Q493 R494	E486-V490 WeakPolarHBondContact O-CG2 3.47Å; E486-V490 PolarHBondContact O-N 3.32Å; E487-V490 PolarHBondContact O-N 3.25Å; V490-Q493 PolarHBondContact O-N 3.21Å; V490-R494 WeakPolarHBondContact O-CG 3.16Å; V490-R494 PolarHBondContact O-N 3.46Å
491	L	98.4	Very high	98.4	Very high	31 Å²	31	61.4 Å²	61.4	16%	0.162	31%	0.309	C	S	.	.	H	α-helix	trans	-63	-48.5	176.7	176.8	59.2	0	0	0	111.4	M236 D277 Y279 E487 A488 L489 Q493 R494 K495	M236-L491 HydrophobicContact CE-CB 3.92Å; M236-L491 HydrophobicContact CE-CD2 3.45Å; M236-L491 VanDerWaalsContact CE-CD2 3.45Å; M236-L491 HydrophobicContact CE-CG 3.63Å; D277-L491 HydrophobicContact CB-CD1 3.99Å; Y279-L491 HydrophobicContact CD2-CD2 4.38Å; E487-L491 PolarHBondContact O-N 3.28Å; E487-L491 VanDerWaalsContact O-N 3.11Å; A488-L491 PolarHBondContact O-N 3.38Å; L489-L491 VanDerWaalsContact C-N 3.34Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-Q493 PolarHBondContact O-N 2.84Å; L491-R494 WeakPolarHBondContact O-CB 3.34Å; L491-R494 PolarHBondContact O-N 2.67Å; L491-K495 PolarHBondContact O-N 3.22Å
492	W	98.8	Very high	98.3	Very high	2 Å²	2	64.7 Å²	64.7	1%	0.008	32%	0.318	C	S	.	.	H	α-helix	trans	-58.2	-43.9	176.2	174	81.3	0	0	0	112.1	P100 M236 K468 A471 I472 I475 A488 L489 R494 K495 W496	P100-W492 PolarHBondContact O-NE1 3.13Å; M236-W492 HydrophobicContact SD-CB 3.63Å; M236-W492 HydrophobicContact SD-CG 4.36Å; K468-W492 HydrophobicContact CG-CH2 3.64Å; K468-W492 HydrophobicContact CG-CZ2 4.25Å; A471-W492 HydrophobicContact CB-CZ2 3.69Å; I472-W492 HydrophobicContact CD1-CH2 3.86Å; I472-W492 HydrophobicContact CD1-CZ3 3.82Å; I472-W492 HydrophobicContact CG1-CE3 4.19Å; I472-W492 HydrophobicContact CG1-CH2 3.53Å; I472-W492 HydrophobicContact CG1-CZ2 4.23Å; I472-W492 HydrophobicContact CG1-CZ3 3.53Å; I475-W492 HydrophobicContact CD1-CB 3.7Å; I475-W492 HydrophobicContact CD1-CG 3.89Å; A488-W492 VanDerWaalsContact O-CB 3.31Å; A488-W492 WeakPolarHBondContact O-CB 3.5Å; A488-W492 PolarHBondContact O-N 2.8Å; L489-W492 HydrophobicContact CD2-CE3 4.3Å; L489-W492 PolarHBondContact O-N 3.4Å; W492-R494 VanDerWaalsContact C-N 3.26Å; W492-R494 PolarHBondContact O-N 3.37Å; W492-K495 CarbonylContact O-C 3.54Å; W492-K495 WeakPolarHBondContact O-CA 3.47Å; W492-K495 WeakPolarHBondContact O-CB 3.32Å; W492-K495 PolarHBondContact O-N 3.26Å; W492-W496 HydrophobicContact CD2-CB 4.47Å; W492-W496 HydrophobicContact CH2-CB 4.2Å; W492-W496 HydrophobicContact CH2-CD2 4.11Å; W492-W496 HydrophobicContact CH2-CE3 4.39Å; W492-W496 HydrophobicContact CH2-CG 4Å; W492-W496 HydrophobicContact CZ2-CB 4.07Å; W492-W496 AromaticContact CZ2-CD2 3.9Å; W492-W496 HydrophobicContact CZ2-CD2 3.9Å; W492-W496 AromaticContact CZ2-CE3 3.74Å; W492-W496 HydrophobicContact CZ2-CE3 3.74Å; W492-W496 HydrophobicContact CZ2-CG 4.04Å; W492-W496 HydrophobicContact CZ3-CB 4.44Å; W492-W496 PolarHBondContact O-N 3.29Å
493	Q	98.7	Very high	98	Very high	70 Å²	70	61 Å²	61	33%	0.327	29%	0.293	S	S	.	.	H	α-helix	trans	-61	-35.3	-178.7	-177.5	58.9	66.9	0	0	111.8	L489 V490 L491 W496 T497	L489-Q493 WeakPolarHBondContact O-CB 3.48Å; L489-Q493 PolarHBondContact O-N 3.2Å; V490-Q493 PolarHBondContact O-N 3.21Å; L491-Q493 VanDerWaalsContact C-N 3.34Å; L491-Q493 PolarHBondContact O-N 2.84Å; Q493-W496 PolarHBondContact O-N 3.07Å; Q493-T497 PolarHBondContact NE2-OG1 3.26Å; Q493-T497 WeakPolarHBondContact O-CB 3.36Å; Q493-T497 PolarHBondContact O-N 3Å; Q493-T497 PolarHBondContact O-OG1 2.96Å; Q493-T497 VanDerWaalsContact O-OG1 3.04Å
494	R	98.4	Very high	96.9	Very high	173 Å²	173	56.5 Å²	56.5	65%	0.653	27%	0.274	S	S	*	.	H	α-helix	trans	-63.7	-44.8	173.2	-66.3	172	-174.7	175.1	2.4	111.4	V490 L491 W492 K498	V490-R494 WeakPolarHBondContact O-CG 3.16Å; V490-R494 PolarHBondContact O-N 3.46Å; L491-R494 WeakPolarHBondContact O-CB 3.34Å; L491-R494 PolarHBondContact O-N 2.67Å; W492-R494 VanDerWaalsContact C-N 3.26Å; W492-R494 PolarHBondContact O-N 3.37Å; R494-K498 PolarHBondContact O-N 3.11Å; R494-K498 VanDerWaalsContact O-N 3.11Å
495	K	98.4	Very high	95.6	Very high	29 Å²	29	59 Å²	59	13%	0.126	29%	0.292	C	S	.	.	H	α-helix	trans	-64.5	-42.3	176.9	-61.7	-174.3	68.8	146.5	0	110.8	P100 N234 D277 L491 W492 K498 F499	P100-K495 HydrophobicContact CB-CB 3.79Å; P100-K495 HydrophobicContact CG-CB 4.04Å; N234-K495 WeakPolarHBondContact OD1-CE 3.42Å; N234-K495 PolarHBondContact OD1-NZ 2.97Å; N234-K495 VanDerWaalsContact OD1-NZ 3.15Å; D277-K495 HydrophobicContact CB-CD 4.46Å; D277-K495 IonicContact OD2-NZ 3.62Å; D277-K495 PolarHBondContact OD2-NZ 3.36Å; L491-K495 PolarHBondContact O-N 3.22Å; W492-K495 CarbonylContact O-C 3.54Å; W492-K495 WeakPolarHBondContact O-CA 3.47Å; W492-K495 WeakPolarHBondContact O-CB 3.32Å; W492-K495 PolarHBondContact O-N 3.26Å; K495-K498 PolarHBondContact O-N 3.31Å; K495-F499 WeakPolarHBondContact O-CB 3.4Å; K495-F499 PolarHBondContact O-N 3.01Å
496	W	98.7	Very high	93.6	Very high	1 Å²	1	63 Å²	63	0%	0.004	31%	0.314	C	S	.	.	H	α-helix	trans	-61.2	-48.7	176.8	-180	-96.8	0	0	0	111.9	E54 M99 P100 V464 K468 W492 Q493 K498 F499 V500	E54-W496 PolarHBondContact OE1-NE1 3.42Å; M99-W496 HydrophobicContact CG-CE3 4.46Å; M99-W496 HydrophobicContact CG-CZ3 3.82Å; M99-W496 HydrophobicContact SD-CZ3 3.96Å; P100-W496 HydrophobicContact CG-CB 4.22Å; P100-W496 HydrophobicContact CG-CE3 4.13Å; V464-W496 HydrophobicContact CG2-CH2 3.94Å; V464-W496 HydrophobicContact CG2-CZ2 3.89Å; K468-W496 HydrophobicContact CB-CH2 3.84Å; K468-W496 HydrophobicContact CB-CZ2 3.72Å; K468-W496 HydrophobicContact CB-CZ3 4.49Å; K468-W496 HydrophobicContact CD-CZ2 3.91Å; K468-W496 HydrophobicContact CG-CD2 4.35Å; K468-W496 HydrophobicContact CG-CH2 4.23Å; K468-W496 HydrophobicContact CG-CZ2 3.77Å; W492-W496 HydrophobicContact CD2-CB 4.47Å; W492-W496 HydrophobicContact CH2-CB 4.2Å; W492-W496 HydrophobicContact CH2-CD2 4.11Å; W492-W496 HydrophobicContact CH2-CE3 4.39Å; W492-W496 HydrophobicContact CH2-CG 4Å; W492-W496 HydrophobicContact CZ2-CB 4.07Å; W492-W496 AromaticContact CZ2-CD2 3.9Å; W492-W496 HydrophobicContact CZ2-CD2 3.9Å; W492-W496 AromaticContact CZ2-CE3 3.74Å; W492-W496 HydrophobicContact CZ2-CE3 3.74Å; W492-W496 HydrophobicContact CZ2-CG 4.04Å; W492-W496 HydrophobicContact CZ3-CB 4.44Å; W492-W496 PolarHBondContact O-N 3.29Å; Q493-W496 PolarHBondContact O-N 3.07Å; W496-K498 VanDerWaalsContact C-N 3.3Å; W496-K498 PolarHBondContact O-N 2.87Å; W496-F499 HydrophobicContact CE3-CD1 4.18Å; W496-F499 HydrophobicContact CH2-CE1 4.37Å; W496-F499 HydrophobicContact CZ3-CD1 4.15Å; W496-F499 HydrophobicContact CZ3-CE1 4.15Å; W496-F499 WeakPolarHBondContact O-CB 3.48Å; W496-F499 PolarHBondContact O-N 3.09Å; W496-F499 VanDerWaalsContact O-N 3.16Å; W496-V500 HydrophobicContact CD2-CG2 4.31Å; W496-V500 HydrophobicContact CG-CG2 4.47Å; W496-V500 HydrophobicContact CZ2-CG2 4.09Å; W496-V500 WeakPolarHBondContact O-CG2 3.47Å; W496-V500 PolarHBondContact O-N 3.41Å
497	T	98.3	Very high	91.2	Very high	80 Å²	80	67.6 Å²	67.6	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-59.3	-40.8	177.1	-64	0	0	0	0	111.8	Q493 A501	Q493-T497 PolarHBondContact NE2-OG1 3.26Å; Q493-T497 WeakPolarHBondContact O-CB 3.36Å; Q493-T497 PolarHBondContact O-N 3Å; Q493-T497 PolarHBondContact O-OG1 2.96Å; Q493-T497 VanDerWaalsContact O-OG1 3.04Å; T497-A501 VanDerWaalsContact O-CB 3.29Å; T497-A501 WeakPolarHBondContact O-CB 3.3Å; T497-A501 PolarHBondContact O-N 3.05Å
498	K	97.9	Very high	88.3	Confident	166 Å²	166	69.5 Å²	69.5	72%	0.722	35%	0.35	S	S	*	.	H	α-helix	trans	-64	-43.8	175.1	-174.7	-179.6	179.2	-177	0	112	R494 K495 W496 A501 K502	R494-K498 PolarHBondContact O-N 3.11Å; R494-K498 VanDerWaalsContact O-N 3.11Å; K495-K498 PolarHBondContact O-N 3.31Å; W496-K498 VanDerWaalsContact C-N 3.3Å; W496-K498 PolarHBondContact O-N 2.87Å; K498-A501 PolarHBondContact O-N 3.49Å; K498-K502 WeakPolarHBondContact O-CB 3.4Å; K498-K502 PolarHBondContact O-N 3.25Å
499	F	98.2	Very high	85.3	Confident	12 Å²	12	80.2 Å²	80.2	5%	0.053	41%	0.407	C	S	.	.	H	α-helix	trans	-60.5	-48.3	177.1	165.9	-106.2	0	0	0	112.1	L57 L95 E98 M99 P100 K495 W496 K502 N503	L57-F499 HydrophobicContact CD2-CD1 4.25Å; L57-F499 HydrophobicContact CD2-CE1 3.64Å; L57-F499 HydrophobicContact CD2-CZ 4.29Å; L95-F499 HydrophobicContact CD1-CE2 3.64Å; L95-F499 HydrophobicContact CD1-CZ 3.85Å; L95-F499 HydrophobicContact CG-CE2 4.22Å; L95-F499 HydrophobicContact CG-CZ 4.07Å; L95-F499 WeakPolarHBondContact O-CE2 3.47Å; E98-F499 HydrophobicContact CB-CD2 4.12Å; E98-F499 HydrophobicContact CB-CE2 4.04Å; M99-F499 HydrophobicContact CB-CE1 4.15Å; M99-F499 HydrophobicContact CB-CE2 4Å; M99-F499 HydrophobicContact CB-CZ 3.8Å; M99-F499 HydrophobicContact CG-CD1 4.3Å; M99-F499 HydrophobicContact CG-CE1 3.85Å; M99-F499 HydrophobicContact CG-CZ 4.01Å; P100-F499 HydrophobicContact CG-CB 4.32Å; K495-F499 WeakPolarHBondContact O-CB 3.4Å; K495-F499 PolarHBondContact O-N 3.01Å; W496-F499 HydrophobicContact CE3-CD1 4.18Å; W496-F499 HydrophobicContact CH2-CE1 4.37Å; W496-F499 HydrophobicContact CZ3-CD1 4.15Å; W496-F499 HydrophobicContact CZ3-CE1 4.15Å; W496-F499 WeakPolarHBondContact O-CB 3.48Å; W496-F499 PolarHBondContact O-N 3.09Å; W496-F499 VanDerWaalsContact O-N 3.16Å; F499-K502 PolarHBondContact O-N 2.83Å; F499-N503 WeakPolarHBondContact CD2-ND2 3.34Å; F499-N503 WeakPolarHBondContact CE2-ND2 3.39Å; F499-N503 PolarHBondContact O-N 3.43Å; F499-N503 VanDerWaalsContact O-N 3.16Å; F499-N503 PolarHBondContact O-ND2 3.34Å; F499-N503 VanDerWaalsContact O-ND2 3.13Å
500	V	98.1	Very high	84.6	Confident	6 Å²	6	83.3 Å²	83.3	4%	0.036	42%	0.423	C	S	.	.	H	α-helix	trans	-61.7	-46.6	176.8	175	0	0	0	0	110.7	A53 E54 L57 W496 K502 N503 Q504	A53-V500 HydrophobicContact CB-CG1 3.67Å; E54-V500 HydrophobicContact CG-CG1 3.98Å; E54-V500 HydrophobicContact CG-CG2 3.94Å; L57-V500 HydrophobicContact CD2-CG2 3.94Å; W496-V500 HydrophobicContact CD2-CG2 4.31Å; W496-V500 HydrophobicContact CG-CG2 4.47Å; W496-V500 HydrophobicContact CZ2-CG2 4.09Å; W496-V500 WeakPolarHBondContact O-CG2 3.47Å; W496-V500 PolarHBondContact O-N 3.41Å; V500-K502 VanDerWaalsContact C-N 3.26Å; V500-K502 PolarHBondContact O-N 3.14Å; V500-N503 PolarHBondContact O-N 3.37Å; V500-N503 VanDerWaalsContact O-N 3.15Å; V500-Q504 WeakPolarHBondContact O-CB 3.28Å; V500-Q504 PolarHBondContact O-N 2.81Å
501	A	95.9	Very high	83.9	Confident	52 Å²	52	83.5 Å²	83.5	43%	0.43	42%	0.419	S	S	.	.	H	α-helix	trans	-61.1	-34.3	-179.4	0	0	0	0	0	113.1	T497 K498 Q504	T497-A501 VanDerWaalsContact O-CB 3.29Å; T497-A501 WeakPolarHBondContact O-CB 3.3Å; T497-A501 PolarHBondContact O-N 3.05Å; K498-A501 PolarHBondContact O-N 3.49Å; A501-Q504 WeakPolarHBondContact O-CG 3.45Å; A501-Q504 PolarHBondContact O-NE2 2.71Å
502	K	95.8	Very high	83.1	Confident	131 Å²	131	86.4 Å²	86.4	57%	0.57	43%	0.434	S	S	*	.	H	α-helix	trans	-71.4	-35.4	176.5	-175.9	-175.3	172.9	-160.4	0	112.6	E98 K498 F499 V500	E98-K502 IonicContact OE1-NZ 2.72Å; E98-K502 PolarHBondContact OE1-NZ 3Å; E98-K502 WeakPolarHBondContact OE2-CE 3.32Å; E98-K502 IonicContact OE2-NZ 2.73Å; E98-K502 PolarHBondContact OE2-NZ 3.33Å; K498-K502 WeakPolarHBondContact O-CB 3.4Å; K498-K502 PolarHBondContact O-N 3.25Å; F499-K502 PolarHBondContact O-N 2.83Å; V500-K502 VanDerWaalsContact C-N 3.26Å; V500-K502 PolarHBondContact O-N 3.14Å
503	N	92.1	Very high	82.2	Confident	26 Å²	26	91.4 Å²	91.4	14%	0.139	46%	0.459	C	S	.	.	H	α-helix	trans	-111	8	-167.3	-67.3	-60	0	0	0	114.5	L57 L60 L95 E98 F499 V500 V505	L57-N503 HydrophobicContact CD1-CB 3.87Å; L60-N503 WeakPolarHBondContact CD2-O 3.49Å; L95-N503 HydrophobicContact CD1-CB 3.73Å; E98-N503 PolarHBondContact OE2-ND2 3.46Å; F499-N503 WeakPolarHBondContact CD2-ND2 3.34Å; F499-N503 WeakPolarHBondContact CE2-ND2 3.39Å; F499-N503 PolarHBondContact O-N 3.43Å; F499-N503 VanDerWaalsContact O-N 3.16Å; F499-N503 PolarHBondContact O-ND2 3.34Å; F499-N503 VanDerWaalsContact O-ND2 3.13Å; V500-N503 PolarHBondContact O-N 3.37Å; V500-N503 VanDerWaalsContact O-N 3.15Å; N503-V505 VanDerWaalsContact C-N 3.33Å
504	Q	75.7	Confident	81.1	Confident	53 Å²	53	92.7 Å²	92.7	25%	0.248	47%	0.467	C	S	.	.			trans	-79.2	-7.8	177.1	63.9	178.7	-24.8	0	0	114.9	A53 R56 V500 A501	A53-Q504 VanDerWaalsContact CB-OE1 3.23Å; R56-Q504 HydrophobicContact CB-CB 4.3Å; V500-Q504 WeakPolarHBondContact O-CB 3.28Å; V500-Q504 PolarHBondContact O-N 2.81Å; A501-Q504 WeakPolarHBondContact O-CG 3.45Å; A501-Q504 PolarHBondContact O-NE2 2.71Å
505	V	71.5	Confident	80	Confident	97 Å²	97	87.3 Å²	87.3	59%	0.588	46%	0.455	S	S	*	.	S	Bend	trans	-96.8	120.4	-179.8	-174.1	0	0	0	0	108.2	N503 K507	N503-V505 VanDerWaalsContact C-N 3.33Å; V505-K507 PolarHBondContact O-N 2.65Å
506	L	56	Low	78.6	Confident	111 Å²	111	91.5 Å²	91.5	58%	0.581	48%	0.478	S	S	*	.			trans	-58.7	105.3	162.3	-71.9	166.3	0	0	0	106.2	L60 T508	L60-L506 HydrophobicContact CD1-CD2 4.21Å; L506-T508 PolarHBondContact O-N 2.84Å
507	K	49.7	Very low	77.1	Confident	189 Å²	189	98.5 Å²	98.5	82%	0.822	52%	0.515	S	S	*	.			trans	-62.9	94.1	163.6	-72.9	-174.4	179.8	178.5	0	105.7	V505 N509	V505-K507 PolarHBondContact O-N 2.65Å; K507-N509 PolarHBondContact O-N 2.79Å
508	T	36.7	Very low	75.3	Confident	130 Å²	130	100 Å²	100	80%	0.798	52%	0.517	S	S	*	.			trans	-65.1	93.7	164.7	46.7	0	0	0	0	105.7	L506	L506-T508 PolarHBondContact O-N 2.84Å
509	N	36.5	Very low	73.3	Confident	227 Å²	227	94 Å²	94	100%	1.214	50%	0.498	S	S	*	.			trans	-79.7	0	157.7	-79.9	-5.8	0	0	0	108.3	K507	K507-N509 PolarHBondContact O-N 2.79Å

Retrieved 509 of 509 residues in 1097.3 ms (Link to these results)

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