A0A3Q0KRI2_SCHMA Loading...

coproporphyrinogen oxidase

AlphaFold DB , UniProt , Accession A0A3Q0KRI2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 391 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.4	Very low	25.4	Very low	247 Å²	247	174.4 Å²	174.4	100%	1.217	85%	0.851	S	S	*	*				0	106.4	0	-156.9	-176.4	-151.3	0	0	108.5
2	R	28.9	Very low	25.5	Very low	252 Å²	252	175.4 Å²	175.4	95%	0.951	85%	0.853	S	S	*	*			trans	-179	106.3	148.2	-106	178.9	-175.6	-175.5	1.6	108.5
3	V	21.8	Very low	25.7	Very low	136 Å²	136	179 Å²	179	82%	0.824	85%	0.852	S	S	*	*			trans	-77.1	137.5	164.4	174.2	0	0	0	0	107.1
4	S	28.5	Very low	25.9	Very low	118 Å²	118	181.6 Å²	181.6	83%	0.825	85%	0.851	S	S	*	*			trans	-135.9	149.4	167.1	-167.6	0	0	0	0	110.5
5	F	25.1	Very low	26.2	Very low	170 Å²	170	183.4 Å²	183.4	75%	0.746	86%	0.856	S	S	*	*			trans	-90.5	154.3	-152.6	-92.6	-108.8	0	0	0	115.3
6	M	21.8	Very low	26.7	Very low	156 Å²	156	186.3 Å²	186.3	77%	0.768	86%	0.856	S	S	*	*			trans	42.5	122.3	140.8	-65.3	174.2	85.2	0	0	120.4
7	S	24.3	Very low	27.3	Very low	100 Å²	100	182.8 Å²	182.8	70%	0.699	86%	0.856	S	S	*	*				168.8	130.9	91.6	51.1	0	0	0	0	113.7
8	H	23.4	Very low	28.2	Very low	184 Å²	184	177.2 Å²	177.2	85%	0.852	84%	0.84	S	S	*	*			trans	43.1	99.6	146.6	-79.3	59.5	0	0	0	120.8
9	F	24.3	Very low	29	Very low	197 Å²	197	173.5 Å²	173.5	86%	0.864	83%	0.829	S	S	*	*			trans	-103.1	108.7	154.5	-90	-88.7	0	0	0	110.7	T11	F9-T11 PolarHBondContact O-N 3.18Å
10	R	22.8	Very low	29.8	Very low	245 Å²	245	172.2 Å²	172.2	93%	0.925	82%	0.817	S	S	*	*			trans	-66.7	118.9	157.5	-87.7	-180	169.8	179.6	-2.5	108
11	T	26.6	Very low	30.6	Very low	113 Å²	113	166.3 Å²	166.3	69%	0.693	80%	0.798	S	S	*	*			trans	-123.6	99.5	162.6	32.6	0	0	0	0	109.1	F9 R13	F9-T11 PolarHBondContact O-N 3.18Å; T11-R13 PolarHBondContact O-N 3.25Å; T11-R13 VanDerWaalsContact O-N 3.15Å
12	Q	26.7	Very low	31.3	Very low	187 Å²	187	161.7 Å²	161.7	87%	0.874	78%	0.777	S	S	*	*			trans	-58.7	109	159.5	-90.9	173.7	-33.5	0	0	107.7
13	R	28.6	Very low	32.1	Very low	222 Å²	222	151.8 Å²	151.8	84%	0.838	75%	0.753	S	S	*	*			trans	-85.7	113.5	172	-83.7	-178.4	170.5	178	-2.3	109.1	T11 F15	T11-R13 PolarHBondContact O-N 3.25Å; T11-R13 VanDerWaalsContact O-N 3.15Å; R13-F15 PolarHBondContact O-N 3.41Å
14	Y	28.1	Very low	33.8	Very low	215 Å²	215	148.8 Å²	148.8	84%	0.843	74%	0.742	S	S	*	*			trans	-58.4	120.5	163.9	-79.3	-96.7	0	0	0	109.6	R16	Y14-R16 PolarHBondContact O-N 2.86Å
15	F	31.2	Very low	34.9	Very low	209 Å²	209	145.7 Å²	145.7	92%	0.917	72%	0.721	S	S	*	*			trans	-69.8	97.7	167.7	-87.6	-93.1	0	0	0	108.6	R13	R13-F15 PolarHBondContact O-N 3.41Å
16	R	32.9	Very low	36.1	Very low	230 Å²	230	139.6 Å²	139.6	87%	0.868	70%	0.702	S	S	*	*			trans	-68.8	135.5	165.6	-91.2	-178.9	165.7	-180	-4.6	108.8	Y14 C18	Y14-R16 PolarHBondContact O-N 2.86Å; R16-C18 PolarHBondContact O-N 2.54Å; R16-C18 VanDerWaalsContact O-N 3.15Å
17	C	37.6	Very low	37.4	Very low	126 Å²	126	138.5 Å²	138.5	85%	0.851	69%	0.693	S	S	*	*			trans	-38.8	111.4	-179.4	-77.6	0	0	0	0	113.2
18	C	42.8	Very low	38.2	Very low	83 Å²	83	139.3 Å²	139.3	56%	0.561	68%	0.684	S	S	*	*			trans	-83.7	120.9	163	-70.1	0	0	0	0	108.5	R16 Y20	R16-C18 PolarHBondContact O-N 2.54Å; R16-C18 VanDerWaalsContact O-N 3.15Å; C18-Y20 HydrophobicContact CB-CD2 4.1Å; C18-Y20 HydrophobicContact CB-CE1 4.37Å; C18-Y20 HydrophobicContact CB-CE2 3.34Å; C18-Y20 VanDerWaalsContact CB-CZ 3.5Å; C18-Y20 WeakPolarHBondContact CB-OH 3.37Å
19	V	43.2	Very low	39.1	Very low	106 Å²	106	135.8 Å²	135.8	64%	0.642	68%	0.675	S	S	*	*			trans	-90.3	120.7	168.4	179.7	0	0	0	0	107.7
20	Y	46	Very low	41.1	Very low	147 Å²	147	130 Å²	130	58%	0.576	67%	0.671	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.9	138.1	174.8	-60.6	-77.9	0	0	0	109.2	C18 I40	C18-Y20 HydrophobicContact CB-CD2 4.1Å; C18-Y20 HydrophobicContact CB-CE1 4.37Å; C18-Y20 HydrophobicContact CB-CE2 3.34Å; C18-Y20 VanDerWaalsContact CB-CZ 3.5Å; C18-Y20 WeakPolarHBondContact CB-OH 3.37Å; Y20-I40 HydrophobicContact CD1-CG2 3.89Å
21	A	45.7	Very low	42.2	Very low	50 Å²	50	123.4 Å²	123.4	41%	0.413	66%	0.663	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108.2	127.8	168.9	0	0	0	0	0	109.3	V41	A21-V41 PolarHBondContact N-O 2.98Å; A21-V41 PolarHBondContact O-N 2.85Å
22	L	46.4	Very low	42.6	Very low	150 Å²	150	126.6 Å²	126.6	79%	0.785	66%	0.662	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.2	116.1	172.3	-77.1	160.7	0	0	0	108.2	I40	L22-I40 HydrophobicContact CD2-CD1 4.33Å; L22-I40 HydrophobicContact CD2-CG1 3.67Å
23	G	47.2	Very low	43.3	Very low	43 Å²	43	126.2 Å²	126.2	44%	0.443	65%	0.653	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.7	134.6	172.1	0	0	0	0	0	110.5	T38 G39	G23-T38 WeakPolarHBondContact O-CA 3.21Å; G23-G39 PolarHBondContact N-O 2.77Å; G23-G39 VanDerWaalsContact N-O 3.13Å; G23-G39 PolarHBondContact O-N 3.21Å
24	A	55.9	Low	44	Very low	73 Å²	73	118 Å²	118	60%	0.603	63%	0.632	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.1	130.9	173.4	0	0	0	0	0	109.7	L35 D37 T38	A24-L35 HydrophobicContact CB-CD2 4.15Å; A24-D37 WeakPolarHBondContact CA-O 3.44Å; A24-T38 HydrophobicContact CB-CG2 3.99Å
25	S	53.3	Low	44.7	Very low	54 Å²	54	113.8 Å²	113.8	38%	0.378	62%	0.623	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.6	130.9	174.8	2.3	0	0	0	0	109.7	A36 D37	S25-A36 PolarHBondContact O-N 2.79Å; S25-D37 PolarHBondContact N-O 3.32Å
26	A	48.7	Very low	45.6	Very low	41 Å²	41	105.9 Å²	105.9	34%	0.339	60%	0.596	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-126.1	143.6	176.6	0	0	0	0	0	110.8	W33 A34 L35	A26-W33 HydrophobicContact CB-CE3 3.93Å; A26-W33 HydrophobicContact CB-CZ3 4.43Å; A26-A34 CarbonylContact C-O 3.48Å; A26-A34 WeakPolarHBondContact CA-O 3.44Å; A26-L35 HydrophobicContact CB-CD2 4.11Å; A26-L35 HydrophobicContact CB-CG 4.48Å
27	F	49.3	Very low	46.3	Very low	134 Å²	134	99 Å²	99	59%	0.588	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-126.7	151.7	175.4	-62.5	-83.2	0	0	0	110.9	A34 A36	F27-A34 PolarHBondContact N-O 3.35Å; F27-A34 PolarHBondContact O-N 3.15Å; F27-A36 HydrophobicContact CD2-CB 3.65Å; F27-A36 HydrophobicContact CE2-CB 3.77Å
28	F	41.3	Very low	46.8	Very low	117 Å²	117	96.5 Å²	96.5	51%	0.513	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.8	125.4	-179.9	-122.9	-83.6	0	0	0	110.3	G30 R32 W33	F28-G30 WeakPolarHBondContact CD1-O 3.29Å; F28-R32 WeakPolarHBondContact CA-O 3.22Å; F28-W33 AromaticContact CD2-CD2 3.51Å; F28-W33 HydrophobicContact CD2-CD2 3.51Å; F28-W33 AromaticContact CD2-CE2 3.38Å; F28-W33 AromaticContact CD2-CE3 3.7Å; F28-W33 HydrophobicContact CD2-CE3 3.7Å; F28-W33 HydrophobicContact CD2-CG 4.2Å; F28-W33 AromaticContact CD2-CH2 3.67Å; F28-W33 HydrophobicContact CD2-CH2 3.67Å; F28-W33 AromaticContact CD2-CZ2 3.48Å; F28-W33 HydrophobicContact CD2-CZ2 3.48Å; F28-W33 VanDerWaalsContact CD2-CZ2 3.48Å; F28-W33 AromaticContact CD2-CZ3 3.78Å; F28-W33 HydrophobicContact CD2-CZ3 3.78Å; F28-W33 AromaticContact CD2-NE1 3.94Å; F28-W33 AromaticContact CE2-CD1 3.84Å; F28-W33 AromaticContact CE2-CD2 3.65Å; F28-W33 HydrophobicContact CE2-CD2 3.65Å; F28-W33 AromaticContact CE2-CE2 3.1Å; F28-W33 HydrophobicContact CE2-CE3 4.29Å; F28-W33 HydrophobicContact CE2-CG 4.1Å; F28-W33 HydrophobicContact CE2-CH2 4.04Å; F28-W33 AromaticContact CE2-CZ2 3.35Å; F28-W33 HydrophobicContact CE2-CZ2 3.35Å; F28-W33 HydrophobicContact CE2-CZ3 4.47Å; F28-W33 AromaticContact CE2-NE1 3.23Å; F28-W33 HydrophobicContact CG-CD2 4.45Å; F28-W33 AromaticContact CZ-NE1 3.89Å
29	V	41.7	Very low	47	Very low	109 Å²	109	94 Å²	94	66%	0.661	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.2	112.7	170.2	-175.6	0	0	0	0	108.6	S31 R32	V29-S31 PolarHBondContact O-N 3.31Å; V29-R32 PolarHBondContact N-O 3.42Å; V29-R32 PolarHBondContact O-N 3.22Å
30	G	67.2	Low	47.4	Very low	75 Å²	75	93.2 Å²	93.2	77%	0.773	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.8	-125.7	-171.8	0	0	0	0	0	111.2	F28	F28-G30 WeakPolarHBondContact CD1-O 3.29Å
31	S	45.6	Very low	47.7	Very low	108 Å²	108	89.7 Å²	89.7	76%	0.755	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	21.8	177.5	67.2	0	0	0	0	113.8	V29	V29-S31 PolarHBondContact O-N 3.31Å
32	R	34.4	Very low	47.8	Very low	180 Å²	180	88.3 Å²	88.3	68%	0.679	52%	0.522	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.5	-177.4	-65.2	-171.4	-178.6	-155.2	4.1	113.1	F28 V29	F28-R32 WeakPolarHBondContact CA-O 3.22Å; V29-R32 PolarHBondContact N-O 3.42Å; V29-R32 PolarHBondContact O-N 3.22Å
33	W	43.1	Very low	48.1	Very low	179 Å²	179	87 Å²	87	68%	0.678	52%	0.515	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	135.2	170	-70.4	102.8	0	0	0	111.1	A26 F28	A26-W33 HydrophobicContact CB-CE3 3.93Å; A26-W33 HydrophobicContact CB-CZ3 4.43Å; F28-W33 AromaticContact CD2-CD2 3.51Å; F28-W33 HydrophobicContact CD2-CD2 3.51Å; F28-W33 AromaticContact CD2-CE2 3.38Å; F28-W33 AromaticContact CD2-CE3 3.7Å; F28-W33 HydrophobicContact CD2-CE3 3.7Å; F28-W33 HydrophobicContact CD2-CG 4.2Å; F28-W33 AromaticContact CD2-CH2 3.67Å; F28-W33 HydrophobicContact CD2-CH2 3.67Å; F28-W33 AromaticContact CD2-CZ2 3.48Å; F28-W33 HydrophobicContact CD2-CZ2 3.48Å; F28-W33 VanDerWaalsContact CD2-CZ2 3.48Å; F28-W33 AromaticContact CD2-CZ3 3.78Å; F28-W33 HydrophobicContact CD2-CZ3 3.78Å; F28-W33 AromaticContact CD2-NE1 3.94Å; F28-W33 AromaticContact CE2-CD1 3.84Å; F28-W33 AromaticContact CE2-CD2 3.65Å; F28-W33 HydrophobicContact CE2-CD2 3.65Å; F28-W33 AromaticContact CE2-CE2 3.1Å; F28-W33 HydrophobicContact CE2-CE3 4.29Å; F28-W33 HydrophobicContact CE2-CG 4.1Å; F28-W33 HydrophobicContact CE2-CH2 4.04Å; F28-W33 AromaticContact CE2-CZ2 3.35Å; F28-W33 HydrophobicContact CE2-CZ2 3.35Å; F28-W33 HydrophobicContact CE2-CZ3 4.47Å; F28-W33 AromaticContact CE2-NE1 3.23Å; F28-W33 HydrophobicContact CG-CD2 4.45Å; F28-W33 AromaticContact CZ-NE1 3.89Å
34	A	43.1	Very low	47.9	Very low	48 Å²	48	91.7 Å²	91.7	40%	0.397	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	128.6	170	0	0	0	0	0	109.4	A26 F27	A26-A34 CarbonylContact C-O 3.48Å; A26-A34 WeakPolarHBondContact CA-O 3.44Å; F27-A34 PolarHBondContact N-O 3.35Å; F27-A34 PolarHBondContact O-N 3.15Å
35	L	42.1	Very low	47.4	Very low	128 Å²	128	95.8 Å²	95.8	67%	0.67	54%	0.54	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.3	172.7	-78.9	156.8	0	0	0	109	A24 A26	A24-L35 HydrophobicContact CB-CD2 4.15Å; A26-L35 HydrophobicContact CB-CD2 4.11Å; A26-L35 HydrophobicContact CB-CG 4.48Å
36	A	50.1	Low	47	Very low	42 Å²	42	100.6 Å²	100.6	35%	0.347	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.5	-44.4	-178.7	0	0	0	0	0	112.5	S25 F27	S25-A36 PolarHBondContact O-N 2.79Å; F27-A36 HydrophobicContact CD2-CB 3.65Å; F27-A36 HydrophobicContact CE2-CB 3.77Å
37	D	47.7	Very low	46.5	Very low	87 Å²	87	104.1 Å²	104.1	47%	0.465	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-151.3	137.9	-177.1	-79.3	-50.9	0	0	0	111.1	A24 S25	A24-D37 WeakPolarHBondContact CA-O 3.44Å; S25-D37 PolarHBondContact N-O 3.32Å
38	T	47.5	Very low	46.1	Very low	73 Å²	73	105 Å²	105	45%	0.448	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-121.4	125.4	165.9	55.6	0	0	0	0	109.1	G23 A24	G23-T38 WeakPolarHBondContact O-CA 3.21Å; A24-T38 HydrophobicContact CB-CG2 3.99Å
39	G	48.2	Very low	46.2	Very low	29 Å²	29	104.5 Å²	104.5	30%	0.299	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.7	145.6	-178.3	0	0	0	0	0	112.5	G23	G23-G39 PolarHBondContact N-O 2.77Å; G23-G39 VanDerWaalsContact N-O 3.13Å; G23-G39 PolarHBondContact O-N 3.21Å
40	I	51.1	Low	46.2	Very low	90 Å²	90	104.1 Å²	104.1	46%	0.462	59%	0.586	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.9	121.7	170.3	-63.2	170.1	0	0	0	107.7	Y20 L22	Y20-I40 HydrophobicContact CD1-CG2 3.89Å; L22-I40 HydrophobicContact CD2-CD1 4.33Å; L22-I40 HydrophobicContact CD2-CG1 3.67Å
41	V	51.5	Low	45	Very low	73 Å²	73	104.8 Å²	104.8	44%	0.442	58%	0.578	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-106.8	117.4	173.1	-176.7	0	0	0	0	108.9	A21 L43	A21-V41 PolarHBondContact N-O 2.98Å; A21-V41 PolarHBondContact O-N 2.85Å; V41-L43 HydrophobicContact CG1-CD2 4.43Å; V41-L43 HydrophobicContact CG1-CG 4.46Å
42	G	48.5	Very low	44.8	Very low	22 Å²	22	103.3 Å²	103.3	23%	0.227	57%	0.568	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.7	120.6	169.3	0	0	0	0	0	110.5
43	L	53.4	Low	45	Very low	123 Å²	123	98.6 Å²	98.6	64%	0.644	57%	0.567	S	S	*	*			trans	-90.1	3	-168.9	-81.7	165.6	0	0	0	116.1	V41	V41-L43 HydrophobicContact CG1-CD2 4.43Å; V41-L43 HydrophobicContact CG1-CG 4.46Å
44	I	42.3	Very low	44.7	Very low	140 Å²	140	94.7 Å²	94.7	72%	0.718	57%	0.567	S	S	*	*	S	Bend	trans	-140.3	131.9	-176.4	-55.7	179.8	0	0	0	113
45	N	46.6	Very low	44.3	Very low	159 Å²	159	98.6 Å²	98.6	85%	0.85	59%	0.585	S	S	*	*	S	Bend	trans	71.5	10.6	169.6	-78.5	-6.3	0	0	0	121
46	K	43.1	Very low	43.9	Very low	155 Å²	155	97.1 Å²	97.1	67%	0.674	58%	0.584	S	S	*	*	S	Bend	trans	168.2	112.1	146.3	-99.1	172.5	-176.9	-176.2	0	104.7	F48	K46-F48 HydrophobicContact CB-CD2 4.03Å; K46-F48 HydrophobicContact CB-CE2 3.66Å; K46-F48 HydrophobicContact CD-CE2 4.18Å; K46-F48 HydrophobicContact CG-CE2 4.47Å; K46-F48 WeakPolarHBondContact O-CD2 3.31Å; K46-F48 PolarHBondContact O-N 3.34Å; K46-F48 VanDerWaalsContact O-N 3.15Å
47	P	39.8	Very low	43.3	Very low	115 Å²	115	103.8 Å²	103.8	75%	0.747	61%	0.605	S	S	*	*			trans	-62.7	121.7	179.6	24.8	-31.1	0	0	0	108.7
48	F	39.8	Very low	42.7	Very low	154 Å²	154	104.5 Å²	104.5	68%	0.675	61%	0.613	S	S	*	*			trans	-122	131.9	168.2	-78.3	-81.5	0	0	0	108.2	K46	K46-F48 HydrophobicContact CB-CD2 4.03Å; K46-F48 HydrophobicContact CB-CE2 3.66Å; K46-F48 HydrophobicContact CD-CE2 4.18Å; K46-F48 HydrophobicContact CG-CE2 4.47Å; K46-F48 WeakPolarHBondContact O-CD2 3.31Å; K46-F48 PolarHBondContact O-N 3.34Å; K46-F48 VanDerWaalsContact O-N 3.15Å
49	S	43.8	Very low	42.2	Very low	105 Å²	105	104.8 Å²	104.8	73%	0.734	61%	0.614	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.9	119.4	171	58.7	0	0	0	0	108.6
50	V	42.5	Very low	41.8	Very low	101 Å²	101	112.2 Å²	112.2	61%	0.612	64%	0.638	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-95.4	105.7	165.5	-178.1	0	0	0	0	106.3	C52	V50-C52 PolarHBondContact O-N 2.65Å
51	S	40.1	Very low	41.6	Very low	89 Å²	89	112.5 Å²	112.5	62%	0.622	64%	0.636	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-77.3	113	164.3	169.3	0	0	0	0	106.2	A53	S51-A53 VanDerWaalsContact C-N 3.32Å; S51-A53 PolarHBondContact O-N 2.84Å
52	C	43.3	Very low	41.5	Very low	78 Å²	78	113.4 Å²	113.4	53%	0.527	64%	0.644	S	S	.	*			trans	-69.4	99.8	164.4	-69.1	0	0	0	0	106.1	V50 S54	V50-C52 PolarHBondContact O-N 2.65Å; C52-S54 PolarHBondContact O-N 3.16Å; C52-S54 VanDerWaalsContact O-N 3.09Å
53	A	37.5	Very low	42	Very low	80 Å²	80	120.4 Å²	120.4	66%	0.661	67%	0.671	S	S	*	*			trans	-47.5	123.2	169.3	0	0	0	0	0	107.8	S51 V55	S51-A53 VanDerWaalsContact C-N 3.32Å; S51-A53 PolarHBondContact O-N 2.84Å; A53-V55 PolarHBondContact O-N 3.44Å
54	S	36.8	Very low	42.6	Very low	98 Å²	98	116.2 Å²	116.2	69%	0.685	65%	0.649	S	S	*	*			trans	-47.8	97.9	-179.4	54.1	0	0	0	0	109.8	C52 P56	C52-S54 PolarHBondContact O-N 3.16Å; C52-S54 VanDerWaalsContact O-N 3.09Å; S54-P56 WeakPolarHBondContact O-CD 3.48Å
55	V	34.5	Very low	44.2	Very low	129 Å²	129	113.3 Å²	113.3	78%	0.782	63%	0.634	S	S	*	*			trans	-73.2	109.3	161.1	-174	0	0	0	0	103	A53 F57	A53-V55 PolarHBondContact O-N 3.44Å; V55-F57 PolarHBondContact O-N 2.97Å
56	P	34.5	Very low	45.8	Very low	98 Å²	98	109.3 Å²	109.3	64%	0.636	61%	0.613	S	S	*	*			trans	-61.4	112.2	178.1	27.4	-32.2	0	0	0	105.8	S54 V58	S54-P56 WeakPolarHBondContact O-CD 3.48Å; P56-V58 HydrophobicContact CB-CG2 3.95Å; P56-V58 HydrophobicContact CG-CG2 4.43Å; P56-V58 PolarHBondContact O-N 3.48Å
57	F	36.9	Very low	47.8	Very low	181 Å²	181	110.4 Å²	110.4	79%	0.794	62%	0.617	S	S	*	*			trans	-67.5	81.2	172	-174.3	-101.1	0	0	0	106.7	V55 T59	V55-F57 PolarHBondContact O-N 2.97Å; F57-T59 VanDerWaalsContact C-N 3.33Å; F57-T59 WeakPolarHBondContact CD1-OG1 3.32Å; F57-T59 HydrophobicContact CD2-CG2 4.46Å; F57-T59 HydrophobicContact CE1-CG2 4.36Å; F57-T59 WeakPolarHBondContact CE1-OG1 3.4Å; F57-T59 HydrophobicContact CE2-CG2 3.95Å; F57-T59 HydrophobicContact CZ-CG2 3.9Å; F57-T59 WeakPolarHBondContact CZ-OG1 3.32Å; F57-T59 PolarHBondContact O-N 3.31Å
58	V	35.8	Very low	50.2	Low	103 Å²	103	109.2 Å²	109.2	62%	0.624	61%	0.605	S	S	*	*			trans	-96.9	68.3	171	-170	0	0	0	0	106.7	P56 K60	P56-V58 HydrophobicContact CB-CG2 3.95Å; P56-V58 HydrophobicContact CG-CG2 4.43Å; P56-V58 PolarHBondContact O-N 3.48Å; V58-K60 HydrophobicContact CG1-CB 4.04Å; V58-K60 HydrophobicContact CG1-CD 4.28Å; V58-K60 HydrophobicContact CG1-CG 4.09Å; V58-K60 PolarHBondContact O-N 2.64Å
59	T	36.9	Very low	52.8	Low	79 Å²	79	102.8 Å²	102.8	49%	0.485	58%	0.576	S	S	.	*			trans	-87.1	67.7	154.3	51.9	0	0	0	0	107.2	F57 F61	F57-T59 VanDerWaalsContact C-N 3.33Å; F57-T59 WeakPolarHBondContact CD1-OG1 3.32Å; F57-T59 HydrophobicContact CD2-CG2 4.46Å; F57-T59 HydrophobicContact CE1-CG2 4.36Å; F57-T59 WeakPolarHBondContact CE1-OG1 3.4Å; F57-T59 HydrophobicContact CE2-CG2 3.95Å; F57-T59 HydrophobicContact CZ-CG2 3.9Å; F57-T59 WeakPolarHBondContact CZ-OG1 3.32Å; F57-T59 PolarHBondContact O-N 3.31Å; T59-F61 PolarHBondContact O-N 2.71Å
60	K	39.6	Very low	55.3	Low	185 Å²	185	99.8 Å²	99.8	80%	0.804	55%	0.551	S	S	*	*			trans	-82.3	88.2	168	-88.6	-174.9	175.1	179.7	0	107.7	V58	V58-K60 HydrophobicContact CG1-CB 4.04Å; V58-K60 HydrophobicContact CG1-CD 4.28Å; V58-K60 HydrophobicContact CG1-CG 4.09Å; V58-K60 PolarHBondContact O-N 2.64Å
61	F	45.8	Very low	57.9	Low	95 Å²	95	96.6 Å²	96.6	42%	0.417	53%	0.533	S	S	.	.			trans	-64.1	142.8	144.7	-132.4	-95.1	0	0	0	107.1	T59 E63 D84 V93	T59-F61 PolarHBondContact O-N 2.71Å; F61-E63 PolarHBondContact O-N 3.39Å; F61-D84 WeakPolarHBondContact CD2-OD1 3.35Å; F61-D84 VanDerWaalsContact CE2-OD1 3.24Å; F61-D84 WeakPolarHBondContact CE2-OD1 3.31Å; F61-V93 HydrophobicContact CE1-CG1 4.45Å
62	P	50	Low	60.5	Low	92 Å²	92	97.3 Å²	97.3	60%	0.597	53%	0.529	S	S	*	.			trans	-52.7	129	169.9	20.8	-31.7	0	0	0	108.4	I64	P62-I64 PolarHBondContact O-N 3.42Å
63	E	58.6	Low	63	Low	170 Å²	170	93.8 Å²	93.8	79%	0.794	51%	0.505	S	S	*	.			trans	-44.7	119.1	178.6	-77.7	-177	153.6	0	0	109.1	F61 N65	F61-E63 PolarHBondContact O-N 3.39Å; E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.07Å
64	I	66.5	Low	65.7	Low	35 Å²	35	91.1 Å²	91.1	18%	0.179	48%	0.481	C	S	.	.			trans	-55.3	102.8	174.8	-70.4	176.7	0	0	0	107.3	P62 L66 W69 L80 Q81 V93	P62-I64 PolarHBondContact O-N 3.42Å; I64-L66 HydrophobicContact CG2-CD2 3.7Å; I64-L66 HydrophobicContact CG2-CG 4.31Å; I64-L66 PolarHBondContact O-N 3.04Å; I64-W69 HydrophobicContact CB-CH2 4.39Å; I64-W69 HydrophobicContact CD1-CH2 4.31Å; I64-W69 HydrophobicContact CG1-CH2 4.44Å; I64-W69 HydrophobicContact CG2-CE3 4.41Å; I64-W69 HydrophobicContact CG2-CH2 3.16Å; I64-W69 HydrophobicContact CG2-CZ2 3.55Å; I64-W69 HydrophobicContact CG2-CZ3 3.63Å; I64-L80 HydrophobicContact CD1-CB 4.29Å; I64-Q81 HydrophobicContact CD1-CG 3.8Å; I64-V93 HydrophobicContact CD1-CG2 4.48Å
65	N	76.2	Confident	68.4	Low	79 Å²	79	87.2 Å²	87.2	42%	0.422	45%	0.454	S	S	.	.			trans	-88.4	92.1	179	-173.1	-11.4	0	0	0	108.6	E63 K67 N68	E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.07Å; N65-K67 PolarHBondContact O-N 2.98Å; N65-K67 VanDerWaalsContact OD1-CB 3.26Å; N65-K67 WeakPolarHBondContact OD1-CB 3.34Å; N65-K67 PolarHBondContact OD1-N 3.38Å; N65-K67 VanDerWaalsContact OD1-N 3.12Å; N65-N68 WeakPolarHBondContact O-CB 3.48Å; N65-N68 PolarHBondContact O-N 3.28Å
66	L	80.6	Confident	71.1	Confident	75 Å²	75	84.1 Å²	84.1	39%	0.393	44%	0.438	S	S	.	.	G	3₁₀ helix	trans	-55.1	-23.7	179.9	-61	176.7	0	0	0	113.2	I64 N68 W69 L72 V77	I64-L66 HydrophobicContact CG2-CD2 3.7Å; I64-L66 HydrophobicContact CG2-CG 4.31Å; I64-L66 PolarHBondContact O-N 3.04Å; L66-N68 PolarHBondContact O-N 3.38Å; L66-W69 HydrophobicContact CD2-CD2 4.48Å; L66-W69 HydrophobicContact CD2-CE3 3.51Å; L66-W69 HydrophobicContact CD2-CH2 4.35Å; L66-W69 HydrophobicContact CD2-CZ3 3.42Å; L66-W69 VanDerWaalsContact CD2-CZ3 3.42Å; L66-W69 PolarHBondContact O-N 3.37Å; L66-L72 HydrophobicContact CD1-CD2 4.29Å; L66-V77 HydrophobicContact CD1-CG2 4.49Å; L66-V77 HydrophobicContact CD2-CG2 4.07Å
67	K	84.1	Confident	73.7	Confident	177 Å²	177	81.2 Å²	81.2	77%	0.77	42%	0.418	S	S	*	.	G	3₁₀ helix	trans	-65.8	-19.4	175.8	-58	-178.7	177.2	178.7	0	112.6	N65 K104	N65-K67 PolarHBondContact O-N 2.98Å; N65-K67 VanDerWaalsContact OD1-CB 3.26Å; N65-K67 WeakPolarHBondContact OD1-CB 3.34Å; N65-K67 PolarHBondContact OD1-N 3.38Å; N65-K67 VanDerWaalsContact OD1-N 3.12Å; K67-K104 PolarHBondContact O-NZ 3.23Å
68	N	89.6	Confident	76.1	Confident	91 Å²	91	77.7 Å²	77.7	49%	0.487	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-80.2	-20.6	178.8	-73	-17.2	0	0	0	113.1	N65 L66 G100 K104	N65-N68 WeakPolarHBondContact O-CB 3.48Å; N65-N68 PolarHBondContact O-N 3.28Å; L66-N68 PolarHBondContact O-N 3.38Å; N68-G100 WeakPolarHBondContact O-CA 3.17Å; N68-K104 PolarHBondContact O-NZ 3Å
69	W	95.5	Very high	78.5	Confident	18 Å²	18	77.4 Å²	77.4	7%	0.068	40%	0.399	C	S	.	.	S	Bend	trans	-91.3	160.2	-177.5	-58.6	-17	0	0	0	112.4	I64 L66 P73 L80 V93 M96	I64-W69 HydrophobicContact CB-CH2 4.39Å; I64-W69 HydrophobicContact CD1-CH2 4.31Å; I64-W69 HydrophobicContact CG1-CH2 4.44Å; I64-W69 HydrophobicContact CG2-CE3 4.41Å; I64-W69 HydrophobicContact CG2-CH2 3.16Å; I64-W69 HydrophobicContact CG2-CZ2 3.55Å; I64-W69 HydrophobicContact CG2-CZ3 3.63Å; L66-W69 HydrophobicContact CD2-CD2 4.48Å; L66-W69 HydrophobicContact CD2-CE3 3.51Å; L66-W69 HydrophobicContact CD2-CH2 4.35Å; L66-W69 HydrophobicContact CD2-CZ3 3.42Å; L66-W69 VanDerWaalsContact CD2-CZ3 3.42Å; L66-W69 PolarHBondContact O-N 3.37Å; W69-P73 HydrophobicContact CE3-CG 4.45Å; W69-P73 HydrophobicContact CZ3-CB 4.22Å; W69-P73 HydrophobicContact CZ3-CG 3.78Å; W69-L80 HydrophobicContact CH2-CD1 4.26Å; W69-V93 HydrophobicContact CZ2-CG1 4.49Å; W69-M96 HydrophobicContact CB-CE 3.9Å; W69-M96 HydrophobicContact CD2-CB 3.77Å; W69-M96 HydrophobicContact CD2-CE 3.84Å; W69-M96 HydrophobicContact CD2-CG 4.42Å; W69-M96 HydrophobicContact CE3-CB 4.33Å; W69-M96 HydrophobicContact CE3-CE 3.63Å; W69-M96 HydrophobicContact CG-CB 4.02Å; W69-M96 HydrophobicContact CG-CE 3.99Å; W69-M96 HydrophobicContact CH2-CB 4.4Å; W69-M96 HydrophobicContact CZ2-CB 3.88Å; W69-M96 HydrophobicContact CZ3-CE 4.33Å
70	M	96.5	Very high	81	Confident	42 Å²	42	74 Å²	74	21%	0.207	38%	0.378	C	S	.	.	S	Bend	trans	-77.4	-29.3	-179.8	-63.1	-53.5	-65.5	0	0	112.7	Q99 C103 F115 V117	M70-Q99 HydrophobicContact CG-CG 4.26Å; M70-C103 HydrophobicContact CE-CB 3.95Å; M70-C103 HydrophobicContact CG-CB 3.98Å; M70-C103 HydrophobicContact SD-CB 3.55Å; M70-C103 VanDerWaalsContact SD-CB 3.55Å; M70-F115 HydrophobicContact CE-CB 4.22Å; M70-V117 HydrophobicContact CB-CG1 4.45Å; M70-V117 HydrophobicContact CB-CG2 4.08Å; M70-V117 HydrophobicContact CE-CG2 4.04Å
71	C	95.9	Very high	83	Confident	35 Å²	35	70.5 Å²	70.5	24%	0.236	37%	0.365	C	S	.	.	S	Bend	trans	-157.7	-173.7	170.6	65.2	0	0	0	0	110	M96 V117 I129	C71-M96 VanDerWaalsContact O-CE 3.25Å; C71-M96 WeakPolarHBondContact O-CE 3.37Å; C71-V117 HydrophobicContact CB-CG1 3.92Å; C71-I129 WeakPolarHBondContact SG-CG2 3.4Å
72	L	95.3	Very high	84.2	Confident	104 Å²	104	73.2 Å²	73.2	55%	0.545	38%	0.383	S	S	.	.			trans	-63.3	146.7	170.9	-68	176	0	0	0	111.2	L66	L66-L72 HydrophobicContact CD1-CD2 4.29Å
73	P	95.3	Very high	85	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.019	36%	0.364	C	S	.	.			trans	-61.7	169.6	177.3	25.8	-33.5	0	0	0	112.4	W69 S75 V77 L80 E92 M96 K119	W69-P73 HydrophobicContact CE3-CG 4.45Å; W69-P73 HydrophobicContact CZ3-CB 4.22Å; W69-P73 HydrophobicContact CZ3-CG 3.78Å; P73-S75 CarbonylContact C-O 3.03Å; P73-S75 VanDerWaalsContact CG-O 3.3Å; P73-S75 WeakPolarHBondContact CG-O 3.3Å; P73-V77 HydrophobicContact CG-CG2 4.11Å; P73-L80 HydrophobicContact CB-CD1 3.67Å; P73-L80 HydrophobicContact CG-CD1 3.7Å; P73-E92 WeakPolarHBondContact CB-OE1 3.25Å; P73-M96 HydrophobicContact CB-CE 4.02Å; P73-M96 HydrophobicContact CB-CG 4.29Å; P73-M96 HydrophobicContact CB-SD 4.18Å; P73-K119 PolarHBondContact O-NZ 3.21Å
74	V	94.9	Very high	85	Confident	25 Å²	25	64.8 Å²	64.8	15%	0.152	34%	0.34	C	S	.	.	S	Bend	trans	-73.7	-49.9	176.1	-178.3	0	0	0	0	109.2	E92 I129 V148	V74-E92 WeakPolarHBondContact CA-OE1 3.49Å; V74-E92 PolarHBondContact N-OE1 3.49Å; V74-I129 HydrophobicContact CG2-CD1 4.22Å; V74-I129 HydrophobicContact CG2-CG1 4.17Å; V74-V148 HydrophobicContact CB-CB 3.82Å; V74-V148 HydrophobicContact CB-CG1 4.49Å; V74-V148 HydrophobicContact CB-CG2 3.87Å; V74-V148 HydrophobicContact CG1-CB 3.9Å; V74-V148 HydrophobicContact CG1-CG1 4.47Å; V74-V148 HydrophobicContact CG1-CG2 4.5Å; V74-V148 HydrophobicContact CG2-CB 4.1Å; V74-V148 HydrophobicContact CG2-CG2 3.89Å
75	S	93.8	Very high	84.9	Confident	16 Å²	16	71.6 Å²	71.6	11%	0.112	37%	0.371	C	S	.	.	S	Bend	trans	-71	158.7	170	-57.5	0	0	0	0	110.8	P73 E92	P73-S75 CarbonylContact C-O 3.03Å; P73-S75 VanDerWaalsContact CG-O 3.3Å; P73-S75 WeakPolarHBondContact CG-O 3.3Å; S75-E92 WeakPolarHBondContact CB-OE2 3.19Å; S75-E92 PolarHBondContact N-OE1 3.04Å; S75-E92 PolarHBondContact OG-OE2 3.02Å
76	S	91.5	Very high	85.5	Confident	64 Å²	64	69.7 Å²	69.7	45%	0.448	36%	0.364	S	S	.	.			trans	-67.6	150.5	175.1	71	0	0	0	0	111.1	D78 Q79 L80	S76-D78 PolarHBondContact O-N 2.92Å; S76-Q79 WeakPolarHBondContact O-CB 3.22Å; S76-Q79 PolarHBondContact O-N 3.05Å; S76-Q79 VanDerWaalsContact O-N 3.12Å; S76-Q79 VanDerWaalsContact OG-CB 3.26Å; S76-Q79 WeakPolarHBondContact OG-CB 3.47Å; S76-Q79 PolarHBondContact OG-N 3.11Å; S76-Q79 VanDerWaalsContact OG-N 3.16Å; S76-L80 PolarHBondContact O-N 3.41Å; S76-L80 VanDerWaalsContact O-N 3.08Å
77	V	88.7	Confident	86.1	Confident	36 Å²	36	67.9 Å²	67.9	22%	0.218	35%	0.352	C	S	.	.	H	α-helix	trans	-59.7	-39.8	177.6	177.8	0	0	0	0	110.8	L66 P73 Q79 L80 Q81	L66-V77 HydrophobicContact CD1-CG2 4.49Å; L66-V77 HydrophobicContact CD2-CG2 4.07Å; P73-V77 HydrophobicContact CG-CG2 4.11Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.48Å; V77-L80 PolarHBondContact O-N 3.34Å; V77-Q81 HydrophobicContact CG1-CG 4.39Å; V77-Q81 WeakPolarHBondContact O-CG 3.32Å; V77-Q81 PolarHBondContact O-N 2.93Å
78	D	87.1	Confident	86.7	Confident	108 Å²	108	62.9 Å²	62.9	58%	0.578	33%	0.328	S	S	*	.	H	α-helix	trans	-60.9	-41.9	176.2	-60.6	-25.6	0	0	0	111.5	S76 L80 Q81 L82	S76-D78 PolarHBondContact O-N 2.92Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 2.58Å; D78-Q81 PolarHBondContact O-N 2.92Å; D78-L82 HydrophobicContact CB-CD1 4.38Å; D78-L82 VanDerWaalsContact O-CB 3.26Å; D78-L82 WeakPolarHBondContact O-CB 3.43Å; D78-L82 WeakPolarHBondContact O-CD1 3.14Å; D78-L82 WeakPolarHBondContact O-CG 3.3Å; D78-L82 PolarHBondContact O-N 3.05Å
79	Q	86.5	Confident	86.9	Confident	96 Å²	96	58.8 Å²	58.8	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-62.8	-41.7	176.6	-178.4	-179.5	-2.6	0	0	111.5	S76 V77 Q81 S83	S76-Q79 WeakPolarHBondContact O-CB 3.22Å; S76-Q79 PolarHBondContact O-N 3.05Å; S76-Q79 VanDerWaalsContact O-N 3.12Å; S76-Q79 VanDerWaalsContact OG-CB 3.26Å; S76-Q79 WeakPolarHBondContact OG-CB 3.47Å; S76-Q79 PolarHBondContact OG-N 3.11Å; S76-Q79 VanDerWaalsContact OG-N 3.16Å; V77-Q79 VanDerWaalsContact C-N 3.33Å; V77-Q79 PolarHBondContact O-N 3.48Å; Q79-Q81 VanDerWaalsContact C-N 3.3Å; Q79-Q81 PolarHBondContact O-N 3.31Å; Q79-S83 PolarHBondContact O-N 2.95Å; Q79-S83 PolarHBondContact O-OG 3.25Å
80	L	88.1	Confident	86.9	Confident	9 Å²	9	60 Å²	60	5%	0.047	31%	0.312	C	S	.	.	H	α-helix	trans	-66.1	-32.5	177.6	-64.8	-178.2	0	0	0	112.6	I64 W69 P73 S76 V77 D78 E92 V93	I64-L80 HydrophobicContact CD1-CB 4.29Å; W69-L80 HydrophobicContact CH2-CD1 4.26Å; P73-L80 HydrophobicContact CB-CD1 3.67Å; P73-L80 HydrophobicContact CG-CD1 3.7Å; S76-L80 PolarHBondContact O-N 3.41Å; S76-L80 VanDerWaalsContact O-N 3.08Å; V77-L80 PolarHBondContact O-N 3.34Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-L80 PolarHBondContact O-N 2.58Å; L80-E92 HydrophobicContact CD1-CG 4.5Å; L80-E92 HydrophobicContact CD2-CB 4.02Å; L80-E92 HydrophobicContact CD2-CG 4.2Å; L80-V93 HydrophobicContact CB-CG2 4.42Å; L80-V93 HydrophobicContact CD1-CG2 4.26Å
81	Q	83.1	Confident	86.9	Confident	111 Å²	111	58 Å²	58	52%	0.519	30%	0.302	S	S	.	.	H	α-helix	trans	-82.2	-38.7	179.3	-71	179.8	-17.5	0	0	113.5	I64 V77 D78 Q79 S83	I64-Q81 HydrophobicContact CD1-CG 3.8Å; V77-Q81 HydrophobicContact CG1-CG 4.39Å; V77-Q81 WeakPolarHBondContact O-CG 3.32Å; V77-Q81 PolarHBondContact O-N 2.93Å; D78-Q81 PolarHBondContact O-N 2.92Å; Q79-Q81 VanDerWaalsContact C-N 3.3Å; Q79-Q81 PolarHBondContact O-N 3.31Å; Q81-S83 VanDerWaalsContact C-N 3.32Å; Q81-S83 PolarHBondContact O-N 3.03Å
82	L	71.1	Confident	86.9	Confident	152 Å²	152	56.3 Å²	56.3	80%	0.796	29%	0.291	S	S	*	.	H	α-helix	trans	-74	-23.6	-175.9	-72.6	169.6	0	0	0	113	D78	D78-L82 HydrophobicContact CB-CD1 4.38Å; D78-L82 VanDerWaalsContact O-CB 3.26Å; D78-L82 WeakPolarHBondContact O-CB 3.43Å; D78-L82 WeakPolarHBondContact O-CD1 3.14Å; D78-L82 WeakPolarHBondContact O-CG 3.3Å; D78-L82 PolarHBondContact O-N 3.05Å
83	S	66.1	Low	86.9	Confident	31 Å²	31	51.8 Å²	51.8	22%	0.217	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108	47	-174.5	78.9	0	0	0	0	112.2	Q79 Q81 E85 C86 S89	Q79-S83 PolarHBondContact O-N 2.95Å; Q79-S83 PolarHBondContact O-OG 3.25Å; Q81-S83 VanDerWaalsContact C-N 3.32Å; Q81-S83 PolarHBondContact O-N 3.03Å; S83-E85 PolarHBondContact O-N 2.88Å; S83-E85 VanDerWaalsContact O-N 3.09Å; S83-C86 WeakPolarHBondContact O-CB 3.42Å; S83-C86 PolarHBondContact O-N 2.92Å; S83-S89 WeakPolarHBondContact OG-CB 3.42Å; S83-S89 PolarHBondContact OG-OG 2.84Å
84	D	58.6	Low	87	Confident	54 Å²	54	52.3 Å²	52.3	29%	0.289	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	-33.7	-178.4	-171.1	15.7	0	0	0	112.3	F61 C86 K90	F61-D84 WeakPolarHBondContact CD2-OD1 3.35Å; F61-D84 VanDerWaalsContact CE2-OD1 3.24Å; F61-D84 WeakPolarHBondContact CE2-OD1 3.31Å; D84-C86 VanDerWaalsContact C-N 3.34Å; D84-C86 PolarHBondContact O-N 3.44Å; D84-K90 WeakPolarHBondContact O-CE 3.4Å
85	E	65.4	Low	87.1	Confident	177 Å²	177	51.1 Å²	51.1	83%	0.827	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-7.1	176.6	-60.1	-161.7	169.4	0	0	114.8	S83	S83-E85 PolarHBondContact O-N 2.88Å; S83-E85 VanDerWaalsContact O-N 3.09Å
86	C	88.1	Confident	87.3	Confident	39 Å²	39	50.4 Å²	50.4	26%	0.264	26%	0.258	S	S	.	.			trans	-90.8	118.9	-176.1	-167.8	0	0	0	0	112.1	S83 D84 R88 S89 K90	S83-C86 WeakPolarHBondContact O-CB 3.42Å; S83-C86 PolarHBondContact O-N 2.92Å; D84-C86 VanDerWaalsContact C-N 3.34Å; D84-C86 PolarHBondContact O-N 3.44Å; C86-R88 PolarHBondContact O-N 3.06Å; C86-R88 VanDerWaalsContact O-N 3.13Å; C86-S89 PolarHBondContact O-N 3.46Å; C86-K90 PolarHBondContact O-N 3.5Å; C86-K90 VanDerWaalsContact O-N 3.12Å
87	Y	93.9	Very high	87.6	Confident	38 Å²	38	50.2 Å²	50.2	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-61.9	-20.6	177.3	-69.6	-78.7	0	0	0	114.7	K90 M91 Y215 Q285 E286 F289	Y87-K90 HydrophobicContact CD1-CD 4.13Å; Y87-K90 HydrophobicContact CE1-CD 4.23Å; Y87-M91 VanDerWaalsContact O-CB 3.24Å; Y87-M91 WeakPolarHBondContact O-CB 3.4Å; Y87-M91 PolarHBondContact O-N 3.44Å; Y87-Y215 WeakPolarHBondContact CD1-OH 3.49Å; Y87-Q285 VanDerWaalsContact CB-NE2 3.29Å; Y87-Q285 HydrophobicContact CD1-CG 3.97Å; Y87-Q285 HydrophobicContact CD2-CB 4.22Å; Y87-Q285 HydrophobicContact CD2-CG 3.64Å; Y87-Q285 VanDerWaalsContact CD2-NE2 3.31Å; Y87-Q285 HydrophobicContact CE1-CB 4.34Å; Y87-Q285 HydrophobicContact CE1-CG 3.95Å; Y87-Q285 HydrophobicContact CE2-CB 3.69Å; Y87-Q285 VanDerWaalsContact CE2-CD 3.48Å; Y87-Q285 HydrophobicContact CE2-CG 3.62Å; Y87-Q285 VanDerWaalsContact CG-CD 3.44Å; Y87-Q285 HydrophobicContact CG-CG 3.82Å; Y87-Q285 VanDerWaalsContact CG-NE2 3.26Å; Y87-E286 WeakPolarHBondContact OH-CA 3.32Å; Y87-E286 VanDerWaalsContact OH-CB 3.23Å; Y87-E286 WeakPolarHBondContact OH-CB 3.25Å; Y87-E286 PolarHBondContact OH-N 3.3Å; Y87-F289 HydrophobicContact CD1-CB 3.94Å; Y87-F289 HydrophobicContact CD1-CD2 4.42Å; Y87-F289 HydrophobicContact CD1-CG 4.07Å; Y87-F289 HydrophobicContact CE1-CB 3.81Å; Y87-F289 HydrophobicContact CE1-CD1 4.47Å; Y87-F289 HydrophobicContact CE1-CG 4.18Å
88	R	94.8	Very high	88	Confident	72 Å²	72	48.7 Å²	48.7	27%	0.272	24%	0.241	S	C	.	.	H	α-helix	trans	-57.8	-50.7	169.9	-60	-172.3	-180	-170.1	-2.5	111	C86 E92 F177 Y201 E203	C86-R88 PolarHBondContact O-N 3.06Å; C86-R88 VanDerWaalsContact O-N 3.13Å; R88-E92 PolarHBondContact O-N 2.98Å; R88-F177 HydrophobicContact CB-CD1 4.21Å; R88-F177 HydrophobicContact CB-CE1 3.62Å; R88-F177 HydrophobicContact CB-CE2 4.23Å; R88-F177 HydrophobicContact CB-CZ 3.62Å; R88-F177 HydrophobicContact CG-CD1 3.61Å; R88-F177 HydrophobicContact CG-CD2 4.37Å; R88-F177 HydrophobicContact CG-CE1 3.55Å; R88-F177 HydrophobicContact CG-CE2 4.32Å; R88-F177 HydrophobicContact CG-CG 4.02Å; R88-F177 HydrophobicContact CG-CZ 3.92Å; R88-Y201 HydrophobicContact CG-CE1 4.16Å; R88-E203 WeakPolarHBondContact CG-OE2 3.28Å; R88-E203 IonicContact CZ-OE1 3.64Å; R88-E203 IonicContact CZ-OE2 3.61Å; R88-E203 IonicContact NE-OE1 2.72Å; R88-E203 PolarHBondContact NE-OE1 2.98Å; R88-E203 IonicContact NE-OE2 3.45Å; R88-E203 PolarHBondContact NE-OE2 3.02Å; R88-E203 IonicContact NH2-OE1 3.3Å; R88-E203 PolarHBondContact NH2-OE1 2.84Å
89	S	94.5	Very high	88.6	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.035	21%	0.214	C	C	.	.	H	α-helix	trans	-74.2	-39.7	-178.4	-62.8	0	0	0	0	112	S83 C86 M91 E92 V93	S83-S89 WeakPolarHBondContact OG-CB 3.42Å; S83-S89 PolarHBondContact OG-OG 2.84Å; C86-S89 PolarHBondContact O-N 3.46Å; S89-M91 VanDerWaalsContact C-N 3.29Å; S89-M91 PolarHBondContact O-N 2.79Å; S89-E92 PolarHBondContact O-N 3.27Å; S89-V93 WeakPolarHBondContact O-CB 3.29Å; S89-V93 VanDerWaalsContact O-CG2 3.3Å; S89-V93 WeakPolarHBondContact O-CG2 3.49Å; S89-V93 PolarHBondContact O-N 2.98Å
90	K	94.9	Very high	89.1	Confident	42 Å²	42	39 Å²	39	18%	0.183	19%	0.192	C	C	.	.	H	α-helix	trans	-57.9	-43.1	173.4	-64.9	-171.4	-179.1	-176.2	0	111.8	D84 C86 Y87 L94 F289	D84-K90 WeakPolarHBondContact O-CE 3.4Å; C86-K90 PolarHBondContact O-N 3.5Å; C86-K90 VanDerWaalsContact O-N 3.12Å; Y87-K90 HydrophobicContact CD1-CD 4.13Å; Y87-K90 HydrophobicContact CE1-CD 4.23Å; K90-L94 WeakPolarHBondContact O-CB 3.4Å; K90-L94 PolarHBondContact O-N 2.71Å; K90-F289 HydrophobicContact CB-CE1 4.04Å; K90-F289 HydrophobicContact CB-CE2 3.92Å; K90-F289 HydrophobicContact CB-CZ 3.63Å; K90-F289 HydrophobicContact CD-CD1 4.41Å; K90-F289 HydrophobicContact CD-CE1 4.18Å
91	M	97.1	Very high	89.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67	-44.9	177.1	-172.5	67.5	-172.1	0	0	112	Y87 S89 V93 L94 C95 C179 F199 Y215	Y87-M91 VanDerWaalsContact O-CB 3.24Å; Y87-M91 WeakPolarHBondContact O-CB 3.4Å; Y87-M91 PolarHBondContact O-N 3.44Å; S89-M91 VanDerWaalsContact C-N 3.29Å; S89-M91 PolarHBondContact O-N 2.79Å; M91-V93 PolarHBondContact O-N 3.23Å; M91-L94 WeakPolarHBondContact O-CB 3.34Å; M91-L94 PolarHBondContact O-N 3.3Å; M91-L94 HydrophobicContact SD-CD2 4.26Å; M91-C95 PolarHBondContact O-N 3.02Å; M91-C95 PolarHBondContact O-SG 2.96Å; M91-C179 HydrophobicContact CB-CB 4.35Å; M91-C179 HydrophobicContact CG-CB 3.97Å; M91-F199 HydrophobicContact CE-CB 4.03Å; M91-F199 WeakPolarHBondContact CE-O 3.39Å; M91-Y215 HydrophobicContact SD-CD1 4.42Å; M91-Y215 HydrophobicContact SD-CE1 3.92Å
92	E	96.7	Very high	90.3	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.187	C	C	.	.	H	α-helix	trans	-62.1	-44.1	178.5	-175.4	169.1	179.1	0	0	111.4	P73 V74 S75 L80 R88 S89 L94 C95 M96 V148	P73-E92 WeakPolarHBondContact CB-OE1 3.25Å; V74-E92 WeakPolarHBondContact CA-OE1 3.49Å; V74-E92 PolarHBondContact N-OE1 3.49Å; S75-E92 WeakPolarHBondContact CB-OE2 3.19Å; S75-E92 PolarHBondContact N-OE1 3.04Å; S75-E92 PolarHBondContact OG-OE2 3.02Å; L80-E92 HydrophobicContact CD1-CG 4.5Å; L80-E92 HydrophobicContact CD2-CB 4.02Å; L80-E92 HydrophobicContact CD2-CG 4.2Å; R88-E92 PolarHBondContact O-N 2.98Å; S89-E92 PolarHBondContact O-N 3.27Å; E92-L94 PolarHBondContact O-N 3.02Å; E92-C95 WeakPolarHBondContact O-CB 3.32Å; E92-C95 PolarHBondContact O-N 3.09Å; E92-M96 HydrophobicContact CG-CG 4.29Å; E92-M96 WeakPolarHBondContact O-CG 3.31Å; E92-M96 PolarHBondContact O-N 3.09Å; E92-V148 HydrophobicContact CG-CG2 3.98Å
93	V	95.3	Very high	91.6	Very high	9 Å²	9	31.8 Å²	31.8	6%	0.055	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-45.5	175.5	171	0	0	0	0	111.2	F61 I64 W69 L80 S89 M91 C95 M96 E97	F61-V93 HydrophobicContact CE1-CG1 4.45Å; I64-V93 HydrophobicContact CD1-CG2 4.48Å; W69-V93 HydrophobicContact CZ2-CG1 4.49Å; L80-V93 HydrophobicContact CB-CG2 4.42Å; L80-V93 HydrophobicContact CD1-CG2 4.26Å; S89-V93 WeakPolarHBondContact O-CB 3.29Å; S89-V93 VanDerWaalsContact O-CG2 3.3Å; S89-V93 WeakPolarHBondContact O-CG2 3.49Å; S89-V93 PolarHBondContact O-N 2.98Å; M91-V93 PolarHBondContact O-N 3.23Å; V93-C95 VanDerWaalsContact C-N 3.32Å; V93-C95 PolarHBondContact O-N 2.65Å; V93-M96 PolarHBondContact O-N 3.29Å; V93-E97 HydrophobicContact CG1-CG 4.39Å; V93-E97 WeakPolarHBondContact O-CG 3.28Å; V93-E97 PolarHBondContact O-N 2.83Å
94	L	96.6	Very high	93.2	Very high	13 Å²	13	33.9 Å²	33.9	7%	0.068	15%	0.154	C	C	.	.	H	α-helix	trans	-57.7	-44.6	175.3	177.3	63.6	0	0	0	111.7	K90 M91 E92 L98 F289 V292 K293 A296	K90-L94 WeakPolarHBondContact O-CB 3.4Å; K90-L94 PolarHBondContact O-N 2.71Å; M91-L94 WeakPolarHBondContact O-CB 3.34Å; M91-L94 PolarHBondContact O-N 3.3Å; M91-L94 HydrophobicContact SD-CD2 4.26Å; E92-L94 PolarHBondContact O-N 3.02Å; L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 2.86Å; L94-F289 HydrophobicContact CB-CZ 4.47Å; L94-F289 HydrophobicContact CD2-CE2 4.03Å; L94-F289 HydrophobicContact CD2-CZ 4.38Å; L94-V292 HydrophobicContact CD2-CG1 4.42Å; L94-K293 HydrophobicContact CD1-CB 4.4Å; L94-K293 HydrophobicContact CD1-CG 3.98Å; L94-K293 HydrophobicContact CD2-CB 4.22Å; L94-A296 HydrophobicContact CD1-CB 4.13Å; L94-A296 HydrophobicContact CD2-CB 4.32Å; L94-A296 HydrophobicContact CG-CB 4.42Å
95	C	98.2	Very high	95.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.007	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-46.8	176	-69	0	0	0	0	111.8	M91 E92 V93 E97 L98 Q99 I146 G180 I181	M91-C95 PolarHBondContact O-N 3.02Å; M91-C95 PolarHBondContact O-SG 2.96Å; E92-C95 WeakPolarHBondContact O-CB 3.32Å; E92-C95 PolarHBondContact O-N 3.09Å; V93-C95 VanDerWaalsContact C-N 3.32Å; V93-C95 PolarHBondContact O-N 2.65Å; C95-E97 PolarHBondContact O-N 3.04Å; C95-L98 PolarHBondContact O-N 3.24Å; C95-Q99 WeakPolarHBondContact O-CB 3.45Å; C95-Q99 PolarHBondContact O-N 2.9Å; C95-I146 HydrophobicContact CB-CD1 3.95Å; C95-I146 HydrophobicContact CB-CG1 4.02Å; C95-I146 HydrophobicContact CB-CG2 4.1Å; C95-I146 WeakPolarHBondContact O-CD1 3.5Å; C95-G180 VanDerWaalsContact SG-C 3.59Å; C95-I181 HydrophobicContact CB-CB 4.1Å
96	M	97.5	Very high	96.7	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-41.5	-179.3	-67.1	-63.1	-66.1	0	0	111.9	W69 C71 P73 E92 V93 G100 I129 I146	W69-M96 HydrophobicContact CB-CE 3.9Å; W69-M96 HydrophobicContact CD2-CB 3.77Å; W69-M96 HydrophobicContact CD2-CE 3.84Å; W69-M96 HydrophobicContact CD2-CG 4.42Å; W69-M96 HydrophobicContact CE3-CB 4.33Å; W69-M96 HydrophobicContact CE3-CE 3.63Å; W69-M96 HydrophobicContact CG-CB 4.02Å; W69-M96 HydrophobicContact CG-CE 3.99Å; W69-M96 HydrophobicContact CH2-CB 4.4Å; W69-M96 HydrophobicContact CZ2-CB 3.88Å; W69-M96 HydrophobicContact CZ3-CE 4.33Å; C71-M96 VanDerWaalsContact O-CE 3.25Å; C71-M96 WeakPolarHBondContact O-CE 3.37Å; P73-M96 HydrophobicContact CB-CE 4.02Å; P73-M96 HydrophobicContact CB-CG 4.29Å; P73-M96 HydrophobicContact CB-SD 4.18Å; E92-M96 HydrophobicContact CG-CG 4.29Å; E92-M96 WeakPolarHBondContact O-CG 3.31Å; E92-M96 PolarHBondContact O-N 3.09Å; V93-M96 PolarHBondContact O-N 3.29Å; M96-G100 PolarHBondContact O-N 2.73Å; M96-I129 HydrophobicContact CE-CD1 3.92Å; M96-I129 HydrophobicContact SD-CD1 3.55Å; M96-I129 VanDerWaalsContact SD-CD1 3.55Å; M96-I146 HydrophobicContact CG-CD1 4.29Å; M96-I146 HydrophobicContact SD-CD1 3.53Å; M96-I146 VanDerWaalsContact SD-CD1 3.53Å
97	E	96.7	Very high	97.2	Very high	61 Å²	61	25.5 Å²	25.5	29%	0.285	11%	0.109	S	C	.	.	H	α-helix	trans	-65.2	-47.7	176.3	-72.8	-179.7	172.6	0	0	112.4	V93 C95 G100 R101	V93-E97 HydrophobicContact CG1-CG 4.39Å; V93-E97 WeakPolarHBondContact O-CG 3.28Å; V93-E97 PolarHBondContact O-N 2.83Å; C95-E97 PolarHBondContact O-N 3.04Å; E97-G100 PolarHBondContact O-N 3.37Å; E97-R101 VanDerWaalsContact O-CB 3.3Å; E97-R101 WeakPolarHBondContact O-CB 3.2Å; E97-R101 PolarHBondContact O-N 3.19Å
98	L	98.1	Very high	97.4	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.021	13%	0.131	C	C	.	.	H	α-helix	trans	-64.8	-44.7	179.5	179	57.1	0	0	0	111.3	L94 C95 R101 L102 I181 F197 F199 A296 I300	L94-L98 WeakPolarHBondContact O-CB 3.47Å; L94-L98 PolarHBondContact O-N 2.86Å; C95-L98 PolarHBondContact O-N 3.24Å; L98-R101 PolarHBondContact O-N 2.97Å; L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 2.98Å; L98-I181 HydrophobicContact CB-CD1 3.97Å; L98-I181 HydrophobicContact CD2-CD1 4Å; L98-I181 HydrophobicContact CD2-CG2 4.24Å; L98-I181 HydrophobicContact CG-CD1 3.88Å; L98-F197 HydrophobicContact CD2-CD2 4.48Å; L98-F197 HydrophobicContact CD2-CE2 3.71Å; L98-F197 HydrophobicContact CD2-CZ 4.06Å; L98-F197 HydrophobicContact CG-CE2 4.47Å; L98-F197 HydrophobicContact CG-CZ 4.4Å; L98-F199 HydrophobicContact CD2-CD2 4.39Å; L98-F199 HydrophobicContact CD2-CE2 4.49Å; L98-A296 HydrophobicContact CD2-CB 4Å; L98-I300 HydrophobicContact CD1-CD1 4.37Å
99	Q	98.5	Very high	97.5	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.4	-50.2	177	-178.2	-171.2	68.4	0	0	111.2	M70 C95 R101 L102 C103 I129 C131 V144 I146 I181	M70-Q99 HydrophobicContact CG-CG 4.26Å; C95-Q99 WeakPolarHBondContact O-CB 3.45Å; C95-Q99 PolarHBondContact O-N 2.9Å; Q99-R101 PolarHBondContact O-N 3.35Å; Q99-L102 PolarHBondContact O-N 3.07Å; Q99-C103 VanDerWaalsContact O-CB 3.26Å; Q99-C103 WeakPolarHBondContact O-CB 3.33Å; Q99-C103 PolarHBondContact O-N 3.38Å; Q99-C103 PolarHBondContact O-SG 3.39Å; Q99-C103 VanDerWaalsContact O-SG 3.36Å; Q99-I129 PolarHBondContact NE2-O 2.93Å; Q99-C131 VanDerWaalsContact CD-SG 3.54Å; Q99-C131 PolarHBondContact NE2-SG 3.22Å; Q99-V144 HydrophobicContact CB-CG1 3.97Å; Q99-V144 HydrophobicContact CG-CB 4.13Å; Q99-V144 HydrophobicContact CG-CG1 3.77Å; Q99-V144 PolarHBondContact NE2-O 3.26Å; Q99-I146 HydrophobicContact CB-CD1 3.76Å; Q99-I146 HydrophobicContact CB-CG1 4.23Å; Q99-I146 HydrophobicContact CG-CD1 4.26Å; Q99-I181 HydrophobicContact CB-CD1 3.99Å
100	G	98.3	Very high	97.7	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-58.4	-46.9	179.6	0	0	0	0	0	112.7	N68 M96 E97 K104	N68-G100 WeakPolarHBondContact O-CA 3.17Å; M96-G100 PolarHBondContact O-N 2.73Å; E97-G100 PolarHBondContact O-N 3.37Å; G100-K104 WeakPolarHBondContact O-CB 3.43Å; G100-K104 WeakPolarHBondContact O-CD 3.32Å; G100-K104 VanDerWaalsContact O-CG 3.29Å; G100-K104 WeakPolarHBondContact O-CG 3.38Å; G100-K104 PolarHBondContact O-N 3.05Å
101	R	98.1	Very high	97.9	Very high	118 Å²	118	34 Å²	34	45%	0.445	14%	0.144	S	C	.	.	H	α-helix	trans	-65.9	-48.9	180	-165.9	-177.5	-62.6	133.7	4.8	111.7	E97 L98 Q99 K104 E105 I300	E97-R101 VanDerWaalsContact O-CB 3.3Å; E97-R101 WeakPolarHBondContact O-CB 3.2Å; E97-R101 PolarHBondContact O-N 3.19Å; L98-R101 PolarHBondContact O-N 2.97Å; Q99-R101 PolarHBondContact O-N 3.35Å; R101-K104 PolarHBondContact O-N 2.96Å; R101-E105 PolarHBondContact O-N 3.13Å; R101-E105 VanDerWaalsContact O-N 3.1Å; R101-I300 HydrophobicContact CB-CD1 4.02Å; R101-I300 HydrophobicContact CG-CD1 3.63Å
102	L	98.6	Very high	97.9	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-46	-177.6	179.8	61.8	0	0	0	111.7	L98 Q99 K104 E105 I106 V144 F197 I300 L304	L98-L102 WeakPolarHBondContact O-CB 3.49Å; L98-L102 PolarHBondContact O-N 2.98Å; Q99-L102 PolarHBondContact O-N 3.07Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.1Å; L102-E105 PolarHBondContact O-N 3.13Å; L102-I106 HydrophobicContact CD1-CD1 3.79Å; L102-I106 HydrophobicContact CD1-CG1 4.06Å; L102-I106 HydrophobicContact CD2-CD1 4.42Å; L102-I106 HydrophobicContact CG-CD1 3.73Å; L102-I106 HydrophobicContact CG-CG1 4.38Å; L102-I106 WeakPolarHBondContact O-CB 3.46Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 3.37Å; L102-V144 HydrophobicContact CD2-CG1 4.28Å; L102-V144 HydrophobicContact CD2-CG2 3.83Å; L102-V144 HydrophobicContact CG-CG2 4.32Å; L102-F197 HydrophobicContact CD2-CE1 3.47Å; L102-F197 VanDerWaalsContact CD2-CE1 3.47Å; L102-F197 HydrophobicContact CD2-CZ 3.57Å; L102-I300 HydrophobicContact CB-CD1 4.22Å; L102-I300 HydrophobicContact CB-CG1 4.44Å; L102-I300 HydrophobicContact CD1-CD1 4.5Å; L102-I300 HydrophobicContact CD1-CG1 3.88Å; L102-L304 HydrophobicContact CD1-CD2 4.47Å
103	C	98.7	Very high	98	Very high	0 Å²	0	41 Å²	41	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59	-44	178.6	-76.3	0	0	0	0	111.6	M70 Q99 I106 E107 F115	M70-C103 HydrophobicContact CE-CB 3.95Å; M70-C103 HydrophobicContact CG-CB 3.98Å; M70-C103 HydrophobicContact SD-CB 3.55Å; M70-C103 VanDerWaalsContact SD-CB 3.55Å; Q99-C103 VanDerWaalsContact O-CB 3.26Å; Q99-C103 WeakPolarHBondContact O-CB 3.33Å; Q99-C103 PolarHBondContact O-N 3.38Å; Q99-C103 PolarHBondContact O-SG 3.39Å; Q99-C103 VanDerWaalsContact O-SG 3.36Å; C103-I106 PolarHBondContact O-N 3.01Å; C103-E107 WeakPolarHBondContact O-CG 3.33Å; C103-E107 PolarHBondContact O-N 3.46Å; C103-F115 VanDerWaalsContact CA-CE2 3.49Å; C103-F115 HydrophobicContact CB-CD2 3.66Å; C103-F115 HydrophobicContact CB-CE2 3.74Å; C103-F115 HydrophobicContact CB-CG 4.21Å; C103-F115 HydrophobicContact CB-CZ 4.31Å; C103-F115 WeakPolarHBondContact O-CE2 3.21Å
104	K	98.2	Very high	98.1	Very high	75 Å²	75	46.9 Å²	46.9	33%	0.326	20%	0.202	S	C	.	.	H	α-helix	trans	-64.9	-43.6	179.2	-74.9	171.5	177.8	167.8	0	113.1	K67 N68 G100 R101 L102 E107 K108	K67-K104 PolarHBondContact O-NZ 3.23Å; N68-K104 PolarHBondContact O-NZ 3Å; G100-K104 WeakPolarHBondContact O-CB 3.43Å; G100-K104 WeakPolarHBondContact O-CD 3.32Å; G100-K104 VanDerWaalsContact O-CG 3.29Å; G100-K104 WeakPolarHBondContact O-CG 3.38Å; G100-K104 PolarHBondContact O-N 3.05Å; R101-K104 PolarHBondContact O-N 2.96Å; L102-K104 VanDerWaalsContact C-N 3.32Å; L102-K104 PolarHBondContact O-N 3.1Å; K104-E107 PolarHBondContact O-N 3.47Å; K104-K108 WeakPolarHBondContact O-CB 3.43Å; K104-K108 PolarHBondContact O-N 2.86Å
105	E	98.5	Very high	98.2	Very high	66 Å²	66	47 Å²	47	31%	0.308	20%	0.202	S	C	.	.	H	α-helix	trans	-67	-38.8	176.7	-69.5	-57.7	138.9	0	0	111.6	R101 L102 K108 I109 L304	R101-E105 PolarHBondContact O-N 3.13Å; R101-E105 VanDerWaalsContact O-N 3.1Å; L102-E105 PolarHBondContact O-N 3.13Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K108 IonicContact OE2-NZ 2.91Å; E105-K108 PolarHBondContact OE2-NZ 2.86Å; E105-I109 VanDerWaalsContact O-CG1 3.31Å; E105-I109 WeakPolarHBondContact O-CG1 3.44Å; E105-I109 PolarHBondContact O-N 2.87Å; E105-L304 HydrophobicContact CB-CD1 3.46Å; E105-L304 VanDerWaalsContact CB-CD1 3.46Å; E105-L304 HydrophobicContact CG-CD1 4.22Å
106	I	98.6	Very high	98.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-60.3	-48	173.7	-75.1	173	0	0	0	111.1	L102 C103 K108 I109 D110 F115 L133 F139 I185	L102-I106 HydrophobicContact CD1-CD1 3.79Å; L102-I106 HydrophobicContact CD1-CG1 4.06Å; L102-I106 HydrophobicContact CD2-CD1 4.42Å; L102-I106 HydrophobicContact CG-CD1 3.73Å; L102-I106 HydrophobicContact CG-CG1 4.38Å; L102-I106 WeakPolarHBondContact O-CB 3.46Å; L102-I106 VanDerWaalsContact O-CG1 3.31Å; L102-I106 WeakPolarHBondContact O-CG1 3.41Å; L102-I106 PolarHBondContact O-N 3.37Å; C103-I106 PolarHBondContact O-N 3.01Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.39Å; I106-I109 PolarHBondContact O-N 2.83Å; I106-D110 WeakPolarHBondContact O-CB 3.34Å; I106-D110 PolarHBondContact O-N 2.83Å; I106-F115 HydrophobicContact CB-CE2 3.83Å; I106-F115 HydrophobicContact CB-CZ 4.12Å; I106-F115 HydrophobicContact CD1-CE2 4.49Å; I106-F115 HydrophobicContact CD1-CZ 3.96Å; I106-F115 HydrophobicContact CG2-CE2 3.51Å; I106-F115 HydrophobicContact CG2-CZ 3.67Å; I106-L133 HydrophobicContact CG2-CD1 4.05Å; I106-F139 HydrophobicContact CB-CE2 4.21Å; I106-F139 HydrophobicContact CG1-CE2 4.34Å; I106-F139 HydrophobicContact CG1-CZ 4.22Å; I106-F139 HydrophobicContact CG2-CD2 3.62Å; I106-F139 HydrophobicContact CG2-CE2 3.62Å; I106-F139 HydrophobicContact CG2-CG 4.28Å; I106-F139 HydrophobicContact CG2-CZ 4.28Å; I106-I185 HydrophobicContact CD1-CD1 3.58Å; I106-I185 HydrophobicContact CD1-CG1 4.26Å
107	E	98.5	Very high	98.2	Very high	28 Å²	28	57 Å²	57	13%	0.131	25%	0.25	C	C	.	.	H	α-helix	trans	-63.7	-35.5	178.4	-72.7	-175.3	172	0	0	112.9	C103 K104 R111 K114 F115 L133	C103-E107 WeakPolarHBondContact O-CG 3.33Å; C103-E107 PolarHBondContact O-N 3.46Å; K104-E107 PolarHBondContact O-N 3.47Å; E107-R111 PolarHBondContact O-N 2.7Å; E107-K114 HydrophobicContact CB-CD 4.18Å; E107-K114 HydrophobicContact CG-CD 3.85Å; E107-K114 WeakPolarHBondContact OE2-CD 3.45Å; E107-K114 IonicContact OE2-NZ 3.63Å; E107-K114 PolarHBondContact OE2-NZ 2.84Å; E107-F115 HydrophobicContact CG-CD2 3.69Å; E107-F115 HydrophobicContact CG-CE2 4.11Å; E107-F115 PolarHBondContact OE1-N 2.88Å; E107-L133 HydrophobicContact CG-CD1 4.49Å
108	K	98.3	Very high	98.2	Very high	140 Å²	140	56.5 Å²	56.5	61%	0.609	25%	0.249	S	C	*	.	H	α-helix	trans	-66.3	-39.7	176	178.6	-173.9	171.2	-165.9	0	111.5	K104 E105 I106 R111	K104-K108 WeakPolarHBondContact O-CB 3.43Å; K104-K108 PolarHBondContact O-N 2.86Å; E105-K108 PolarHBondContact O-N 3.06Å; E105-K108 IonicContact OE2-NZ 2.91Å; E105-K108 PolarHBondContact OE2-NZ 2.86Å; I106-K108 VanDerWaalsContact C-N 3.29Å; I106-K108 PolarHBondContact O-N 3.39Å; K108-R111 WeakPolarHBondContact O-CG 3.45Å
109	I	98.4	Very high	98.2	Very high	12 Å²	12	60.2 Å²	60.2	6%	0.062	27%	0.265	C	S	.	.	H	α-helix	trans	-68.4	-49	174.4	-70.4	170.2	0	0	0	109.8	E105 I106 V138 F139 L304 V307 R311	E105-I109 VanDerWaalsContact O-CG1 3.31Å; E105-I109 WeakPolarHBondContact O-CG1 3.44Å; E105-I109 PolarHBondContact O-N 2.87Å; I106-I109 PolarHBondContact O-N 2.83Å; I109-V138 HydrophobicContact CG2-CB 4.39Å; I109-V138 HydrophobicContact CG2-CG1 4.04Å; I109-V138 HydrophobicContact CG2-CG2 4.26Å; I109-F139 HydrophobicContact CB-CE2 4.14Å; I109-F139 HydrophobicContact CG2-CE2 3.81Å; I109-F139 HydrophobicContact CG2-CZ 4.04Å; I109-L304 HydrophobicContact CD1-CB 4.25Å; I109-L304 HydrophobicContact CD1-CD1 4.06Å; I109-L304 HydrophobicContact CD1-CD2 4.03Å; I109-L304 HydrophobicContact CD1-CG 4.35Å; I109-V307 HydrophobicContact CG2-CG1 4.02Å; I109-R311 VanDerWaalsContact CG2-NH1 3.29Å; I109-R311 PolarHBondContact O-NH1 3Å
110	D	98.5	Very high	98	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	27%	0.271	C	S	.	.	H	α-helix	trans	-66.6	-40.8	-174.4	-162.4	-90.9	0	0	0	113.1	I106 K112 A113 G136 D137 V138 F139	I106-D110 WeakPolarHBondContact O-CB 3.34Å; I106-D110 PolarHBondContact O-N 2.83Å; D110-K112 PolarHBondContact O-N 3.12Å; D110-K112 WeakPolarHBondContact OD1-CB 3.45Å; D110-K112 PolarHBondContact OD1-N 2.66Å; D110-A113 PolarHBondContact OD1-N 3.44Å; D110-G136 WeakPolarHBondContact OD1-CA 3.42Å; D110-G136 VanDerWaalsContact OD2-CA 3.3Å; D110-G136 WeakPolarHBondContact OD2-CA 3.37Å; D110-D137 PolarHBondContact OD1-N 3.08Å; D110-D137 PolarHBondContact OD2-N 3.17Å; D110-V138 PolarHBondContact OD2-N 3.24Å; D110-F139 HydrophobicContact CB-CD2 3.97Å; D110-F139 HydrophobicContact CB-CE2 4.38Å; D110-F139 PolarHBondContact OD2-N 2.96Å
111	R	97.4	Very high	97.8	Very high	182 Å²	182	69.2 Å²	69.2	69%	0.687	31%	0.305	S	S	*	.	S	Bend	trans	59.6	-4.7	-178.5	-56.6	-179	-66	169.4	1.3	116.2	E107 K108	E107-R111 PolarHBondContact O-N 2.7Å; K108-R111 WeakPolarHBondContact O-CG 3.45Å
112	K	98.4	Very high	97.4	Very high	135 Å²	135	66.1 Å²	66.1	59%	0.587	29%	0.294	S	S	*	.	S	Bend	trans	-114.9	-61.2	-178.9	178.5	-172.3	174.1	-164	0	111.8	D110 N135 D137	D110-K112 PolarHBondContact O-N 3.12Å; D110-K112 WeakPolarHBondContact OD1-CB 3.45Å; D110-K112 PolarHBondContact OD1-N 2.66Å; K112-N135 PolarHBondContact NZ-O 2.86Å; K112-D137 HydrophobicContact CB-CB 3.97Å; K112-D137 HydrophobicContact CD-CB 4.02Å
113	A	97.9	Very high	96.9	Very high	13 Å²	13	76.4 Å²	76.4	11%	0.107	33%	0.333	C	S	.	.			trans	-89.5	155.9	-177.9	0	0	0	0	0	112.1	D110 L133 G136	D110-A113 PolarHBondContact OD1-N 3.44Å; A113-L133 HydrophobicContact CB-CD1 4Å; A113-L133 HydrophobicContact CB-CD2 3.78Å; A113-L133 HydrophobicContact CB-CG 3.67Å; A113-G136 VanDerWaalsContact CB-CA 3.46Å
114	K	98.3	Very high	96.2	Very high	133 Å²	133	79.3 Å²	79.3	58%	0.578	36%	0.357	S	S	*	.			trans	-124.5	153	178.6	-65.9	-63.5	-170.8	179.2	0	109.7	E107 K116	E107-K114 HydrophobicContact CB-CD 4.18Å; E107-K114 HydrophobicContact CG-CD 3.85Å; E107-K114 WeakPolarHBondContact OE2-CD 3.45Å; E107-K114 IonicContact OE2-NZ 3.63Å; E107-K114 PolarHBondContact OE2-NZ 2.84Å; K114-K116 PolarHBondContact O-N 2.96Å
115	F	98.6	Very high	95.7	Very high	15 Å²	15	76.7 Å²	76.7	7%	0.066	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-71.3	127.2	174.2	-76.5	-88.3	0	0	0	110.3	M70 C103 I106 E107 C131 V132 L133 A142 V144	M70-F115 HydrophobicContact CE-CB 4.22Å; C103-F115 VanDerWaalsContact CA-CE2 3.49Å; C103-F115 HydrophobicContact CB-CD2 3.66Å; C103-F115 HydrophobicContact CB-CE2 3.74Å; C103-F115 HydrophobicContact CB-CG 4.21Å; C103-F115 HydrophobicContact CB-CZ 4.31Å; C103-F115 WeakPolarHBondContact O-CE2 3.21Å; I106-F115 HydrophobicContact CB-CE2 3.83Å; I106-F115 HydrophobicContact CB-CZ 4.12Å; I106-F115 HydrophobicContact CD1-CE2 4.49Å; I106-F115 HydrophobicContact CD1-CZ 3.96Å; I106-F115 HydrophobicContact CG2-CE2 3.51Å; I106-F115 HydrophobicContact CG2-CZ 3.67Å; E107-F115 HydrophobicContact CG-CD2 3.69Å; E107-F115 HydrophobicContact CG-CE2 4.11Å; E107-F115 PolarHBondContact OE1-N 2.88Å; F115-C131 HydrophobicContact CB-CB 4.23Å; F115-C131 VanDerWaalsContact CD1-C 3.49Å; F115-C131 HydrophobicContact CD1-CB 3.69Å; F115-C131 HydrophobicContact CE1-CB 4.39Å; F115-C131 HydrophobicContact CG-CB 4.19Å; F115-V132 WeakPolarHBondContact CA-O 3.24Å; F115-L133 HydrophobicContact CD1-CB 3.73Å; F115-L133 HydrophobicContact CD2-CB 4.23Å; F115-L133 HydrophobicContact CD2-CD1 4.15Å; F115-L133 HydrophobicContact CE1-CB 3.74Å; F115-L133 HydrophobicContact CE2-CB 4.2Å; F115-L133 HydrophobicContact CE2-CD1 3.97Å; F115-L133 HydrophobicContact CG-CB 4.01Å; F115-L133 HydrophobicContact CZ-CB 3.99Å; F115-L133 HydrophobicContact CZ-CD1 4.4Å; F115-A142 HydrophobicContact CE1-CB 4.31Å; F115-A142 HydrophobicContact CZ-CB 4.26Å; F115-V144 HydrophobicContact CE1-CG2 4.27Å; F115-V144 HydrophobicContact CZ-CG2 4.41Å
116	K	98.2	Very high	95.4	Very high	157 Å²	157	74.9 Å²	74.9	68%	0.683	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.5	159	-179	-178.9	177.1	-176.2	0	107.9	K114 C131 V132	K114-K116 PolarHBondContact O-N 2.96Å; K116-C131 WeakPolarHBondContact O-CA 3.45Å; K116-V132 PolarHBondContact N-O 3.49Å; K116-V132 PolarHBondContact O-N 3.01Å
117	V	98.1	Very high	95.2	Very high	55 Å²	55	74.9 Å²	74.9	33%	0.333	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	119.6	177	-172.1	0	0	0	0	108.8	M70 C71 I129	M70-V117 HydrophobicContact CB-CG1 4.45Å; M70-V117 HydrophobicContact CB-CG2 4.08Å; M70-V117 HydrophobicContact CE-CG2 4.04Å; C71-V117 HydrophobicContact CB-CG1 3.92Å; V117-I129 HydrophobicContact CG1-CG2 3.96Å
118	D	96.9	Very high	95.1	Very high	50 Å²	50	73.6 Å²	73.6	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	101.5	178.6	-175.6	21.7	0	0	0	109.3	S130 R351	D118-S130 PolarHBondContact N-O 3.05Å; D118-S130 PolarHBondContact O-N 3.31Å; D118-R351 IonicContact OD2-CZ 4Å; D118-R351 IonicContact OD2-NE 2.6Å; D118-R351 IonicContact OD2-NH2 3.92Å; D118-R351 PolarHBondContact OD2-NH2 2.81Å
119	K	96.8	Very high	95.1	Very high	82 Å²	82	66.9 Å²	66.9	36%	0.357	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.5	173.7	-178.3	178.2	171.7	179.4	0	109.2	P73 G128 I129	P73-K119 PolarHBondContact O-NZ 3.21Å; K119-G128 WeakPolarHBondContact CA-O 3.43Å; K119-I129 HydrophobicContact CB-CG1 4.42Å; K119-I129 HydrophobicContact CG-CG1 4.16Å
120	W	95.1	Very high	95.1	Very high	36 Å²	36	66.5 Å²	66.5	14%	0.136	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.2	-175.6	55.8	-88.7	0	0	0	111.7	R122 G127 G128 I149 R351	W120-R122 HydrophobicContact CE3-CG 4.18Å; W120-R122 HydrophobicContact CZ3-CG 3.6Å; W120-G127 CarbonylContact O-C 3.59Å; W120-G127 WeakPolarHBondContact O-CA 3.27Å; W120-G128 VanDerWaalsContact CE2-CA 3.49Å; W120-G128 PolarHBondContact N-O 3.04Å; W120-G128 PolarHBondContact O-N 2.79Å; W120-I149 HydrophobicContact CH2-CD1 4.2Å; W120-I149 HydrophobicContact CZ3-CD1 4.47Å; W120-R351 HydrophobicContact CD2-CB 4.38Å; W120-R351 HydrophobicContact CD2-CG 4.42Å; W120-R351 HydrophobicContact CH2-CB 4.42Å; W120-R351 HydrophobicContact CZ2-CB 4.28Å
121	E	93.7	Very high	95.1	Very high	153 Å²	153	66.4 Å²	66.4	72%	0.715	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.2	156	-177.3	-65.5	179.3	177	0	0	110.4	G126	E121-G126 WeakPolarHBondContact CA-O 3.43Å
122	R	90.2	Very high	95.2	Very high	53 Å²	53	59.6 Å²	59.6	20%	0.2	29%	0.291	C	S	.	.			trans	-109.9	142.8	176	-63.4	179.9	68.2	-171.3	-2.6	110.7	W120 A124 G125 G126	W120-R122 HydrophobicContact CE3-CG 4.18Å; W120-R122 HydrophobicContact CZ3-CG 3.6Å; R122-A124 PolarHBondContact O-N 2.92Å; R122-G125 PolarHBondContact O-N 2.85Å; R122-G126 PolarHBondContact N-O 3.45Å
123	R	86.7	Confident	95.2	Very high	219 Å²	219	53.1 Å²	53.1	83%	0.826	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-36.3	172	-66.8	-169.5	-78.6	-155	-4.5	112.3	G125 E349	R123-G125 PolarHBondContact O-N 2.91Å; R123-E349 IonicContact CZ-OE1 2.83Å; R123-E349 IonicContact NE-OE1 3.94Å; R123-E349 PolarHBondContact NE-OE1 3.03Å; R123-E349 IonicContact NE-OE2 3.82Å; R123-E349 IonicContact NH2-OE1 3.06Å; R123-E349 PolarHBondContact NH2-OE1 2.83Å
124	A	84.4	Confident	95.2	Very high	61 Å²	61	56.3 Å²	56.3	50%	0.504	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-9	177.5	0	0	0	0	0	114.5	R122	R122-A124 PolarHBondContact O-N 2.92Å
125	G	87.4	Confident	95.1	Very high	20 Å²	20	53.7 Å²	53.7	21%	0.206	27%	0.268	C	S	.	.	S	Bend	trans	115.7	145	-178.9	0	0	0	0	0	113.9	R122 R123	R122-G125 PolarHBondContact O-N 2.85Å; R123-G125 PolarHBondContact O-N 2.91Å
126	G	92.3	Very high	95.1	Very high	28 Å²	28	53.2 Å²	53.2	29%	0.289	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	77	-157.3	-176.7	0	0	0	0	0	113.1	E121 R122 V148	E121-G126 WeakPolarHBondContact CA-O 3.43Å; R122-G126 PolarHBondContact N-O 3.45Å; G126-V148 CarbonylContact C-O 3.43Å; G126-V148 WeakPolarHBondContact CA-O 3.47Å
127	G	95.1	Very high	95.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.7	-156	-172	0	0	0	0	0	112.6	W120 V148 I149	W120-G127 CarbonylContact O-C 3.59Å; W120-G127 WeakPolarHBondContact O-CA 3.27Å; G127-V148 PolarHBondContact N-O 2.97Å; G127-V148 PolarHBondContact O-N 2.79Å; G127-I149 WeakPolarHBondContact O-CD1 3.12Å
128	G	96.6	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	174.6	177.9	0	0	0	0	0	113.3	K119 W120 I146	K119-G128 WeakPolarHBondContact CA-O 3.43Å; W120-G128 VanDerWaalsContact CE2-CA 3.49Å; W120-G128 PolarHBondContact N-O 3.04Å; W120-G128 PolarHBondContact O-N 2.79Å; G128-I146 CarbonylContact C-O 3.5Å; G128-I146 WeakPolarHBondContact CA-O 3.3Å
129	I	98.2	Very high	95.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	112.6	179.8	-58.9	160.3	0	0	0	106.9	C71 V74 M96 Q99 V117 K119 N145 I146	C71-I129 WeakPolarHBondContact SG-CG2 3.4Å; V74-I129 HydrophobicContact CG2-CD1 4.22Å; V74-I129 HydrophobicContact CG2-CG1 4.17Å; M96-I129 HydrophobicContact CE-CD1 3.92Å; M96-I129 HydrophobicContact SD-CD1 3.55Å; M96-I129 VanDerWaalsContact SD-CD1 3.55Å; Q99-I129 PolarHBondContact NE2-O 2.93Å; V117-I129 HydrophobicContact CG1-CG2 3.96Å; K119-I129 HydrophobicContact CB-CG1 4.42Å; K119-I129 HydrophobicContact CG-CG1 4.16Å; I129-N145 CarbonylContact O-C 3.56Å; I129-N145 WeakPolarHBondContact O-CA 3.3Å; I129-I146 HydrophobicContact CB-CB 4.37Å; I129-I146 PolarHBondContact N-O 2.81Å; I129-I146 PolarHBondContact O-N 3.3Å
130	S	98.4	Very high	95.3	Very high	3 Å²	3	42 Å²	42	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	114.4	173.8	-82.2	0	0	0	0	110.4	D118 N145 S354	D118-S130 PolarHBondContact N-O 3.05Å; D118-S130 PolarHBondContact O-N 3.31Å; S130-N145 VanDerWaalsContact CA-OD1 3.26Å; S130-N145 WeakPolarHBondContact CA-OD1 3.49Å; S130-N145 WeakPolarHBondContact CB-OD1 3.32Å; S130-N145 PolarHBondContact OG-OD1 3.46Å; S130-S354 WeakPolarHBondContact OG-CB 3.31Å; S130-S354 PolarHBondContact OG-OG 2.89Å
131	C	98.5	Very high	95.4	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	115	167.5	-67.1	0	0	0	0	107.9	Q99 F115 K116 G143 V144	Q99-C131 VanDerWaalsContact CD-SG 3.54Å; Q99-C131 PolarHBondContact NE2-SG 3.22Å; F115-C131 HydrophobicContact CB-CB 4.23Å; F115-C131 VanDerWaalsContact CD1-C 3.49Å; F115-C131 HydrophobicContact CD1-CB 3.69Å; F115-C131 HydrophobicContact CE1-CB 4.39Å; F115-C131 HydrophobicContact CG-CB 4.19Å; K116-C131 WeakPolarHBondContact O-CA 3.45Å; C131-G143 CarbonylContact O-C 3.6Å; C131-G143 WeakPolarHBondContact O-CA 3.42Å; C131-V144 WeakPolarHBondContact CB-O 3.46Å; C131-V144 PolarHBondContact N-O 3.41Å; C131-V144 PolarHBondContact O-N 3.25Å
132	V	98.5	Very high	95.7	Very high	38 Å²	38	34.2 Å²	34.2	23%	0.23	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	127.9	179.1	-171.7	0	0	0	0	111	F115 K116 E134 A142 M357	F115-V132 WeakPolarHBondContact CA-O 3.24Å; K116-V132 PolarHBondContact N-O 3.49Å; K116-V132 PolarHBondContact O-N 3.01Å; V132-E134 HydrophobicContact CG1-CG 4.03Å; V132-A142 CarbonylContact C-O 3.6Å; V132-A142 WeakPolarHBondContact CA-O 3.44Å; V132-M357 HydrophobicContact CG1-CG 4.13Å; V132-M357 HydrophobicContact CG2-CG 3.78Å
133	L	98.5	Very high	96.1	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	131.7	172.5	178.2	158.4	0	0	0	108.4	I106 E107 A113 F115 F139 K141 A142	I106-L133 HydrophobicContact CG2-CD1 4.05Å; E107-L133 HydrophobicContact CG-CD1 4.49Å; A113-L133 HydrophobicContact CB-CD1 4Å; A113-L133 HydrophobicContact CB-CD2 3.78Å; A113-L133 HydrophobicContact CB-CG 3.67Å; F115-L133 HydrophobicContact CD1-CB 3.73Å; F115-L133 HydrophobicContact CD2-CB 4.23Å; F115-L133 HydrophobicContact CD2-CD1 4.15Å; F115-L133 HydrophobicContact CE1-CB 3.74Å; F115-L133 HydrophobicContact CE2-CB 4.2Å; F115-L133 HydrophobicContact CE2-CD1 3.97Å; F115-L133 HydrophobicContact CG-CB 4.01Å; F115-L133 HydrophobicContact CZ-CB 3.99Å; F115-L133 HydrophobicContact CZ-CD1 4.4Å; L133-F139 HydrophobicContact CD2-CB 3.97Å; L133-K141 CarbonylContact O-C 3.54Å; L133-K141 WeakPolarHBondContact O-CA 3.13Å; L133-A142 HydrophobicContact CB-CB 4.45Å; L133-A142 PolarHBondContact N-O 3.08Å; L133-A142 PolarHBondContact O-N 3.34Å
134	E	97.8	Very high	96.6	Very high	79 Å²	79	21.2 Å²	21.2	37%	0.369	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	154.3	176.4	-58.6	-160.8	124.9	0	0	111.3	V132 G136 E140 K141 R361	V132-E134 HydrophobicContact CG1-CG 4.03Å; E134-G136 PolarHBondContact O-N 2.97Å; E134-E140 WeakPolarHBondContact CA-O 3.47Å; E134-K141 HydrophobicContact CG-CG 4.27Å; E134-R361 IonicContact OE1-NH1 3.34Å; E134-R361 PolarHBondContact OE1-NH1 3.4Å; E134-R361 IonicContact OE2-NH1 2.85Å; E134-R361 PolarHBondContact OE2-NH1 3.28Å
135	N	97.3	Very high	97.3	Very high	78 Å²	78	18.6 Å²	18.6	42%	0.417	11%	0.11	S	C	.	.	S	Bend	trans	59.5	31.4	175.8	-51.8	-57.6	0	0	0	114.2	K112 E140 R361	K112-N135 PolarHBondContact NZ-O 2.86Å; N135-E140 PolarHBondContact N-O 2.72Å; N135-R361 PolarHBondContact OD1-NE 3.06Å
136	G	98.2	Very high	97.8	Very high	5 Å²	5	17.7 Å²	17.7	5%	0.052	10%	0.1	C	C	.	.			trans	-66.7	172.8	171	0	0	0	0	0	113.4	D110 A113 E134 F139	D110-G136 WeakPolarHBondContact OD1-CA 3.42Å; D110-G136 VanDerWaalsContact OD2-CA 3.3Å; D110-G136 WeakPolarHBondContact OD2-CA 3.37Å; A113-G136 VanDerWaalsContact CB-CA 3.46Å; E134-G136 PolarHBondContact O-N 2.97Å; G136-F139 WeakPolarHBondContact CA-O 3.45Å; G136-F139 PolarHBondContact N-O 3.33Å
137	D	98	Very high	98	Very high	92 Å²	92	18.3 Å²	18.3	49%	0.492	10%	0.1	S	C	.	.	S	Bend	trans	-84	-29	176.5	-159.8	54.9	0	0	0	111.8	D110 K112	D110-D137 PolarHBondContact OD1-N 3.08Å; D110-D137 PolarHBondContact OD2-N 3.17Å; K112-D137 HydrophobicContact CB-CB 3.97Å; K112-D137 HydrophobicContact CD-CB 4.02Å
138	V	98.7	Very high	98.1	Very high	11 Å²	11	18.5 Å²	18.5	7%	0.067	10%	0.102	C	C	.	.	S	Bend	trans	-110.2	-40.5	178.3	179.7	0	0	0	0	110.4	I109 D110 P187 L188 V307 R311	I109-V138 HydrophobicContact CG2-CB 4.39Å; I109-V138 HydrophobicContact CG2-CG1 4.04Å; I109-V138 HydrophobicContact CG2-CG2 4.26Å; D110-V138 PolarHBondContact OD2-N 3.24Å; V138-P187 WeakPolarHBondContact O-CA 3.27Å; V138-L188 PolarHBondContact O-N 3.45Å; V138-V307 HydrophobicContact CG1-CG1 3.74Å; V138-R311 HydrophobicContact CG1-CB 3.91Å; V138-R311 HydrophobicContact CG2-CB 4.42Å
139	F	98.7	Very high	97.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	115.8	-177.2	-53.1	-77.6	0	0	0	110.7	I106 I109 D110 L133 G136 A142 I185 Y303 V307	I106-F139 HydrophobicContact CB-CE2 4.21Å; I106-F139 HydrophobicContact CG1-CE2 4.34Å; I106-F139 HydrophobicContact CG1-CZ 4.22Å; I106-F139 HydrophobicContact CG2-CD2 3.62Å; I106-F139 HydrophobicContact CG2-CE2 3.62Å; I106-F139 HydrophobicContact CG2-CG 4.28Å; I106-F139 HydrophobicContact CG2-CZ 4.28Å; I109-F139 HydrophobicContact CB-CE2 4.14Å; I109-F139 HydrophobicContact CG2-CE2 3.81Å; I109-F139 HydrophobicContact CG2-CZ 4.04Å; D110-F139 HydrophobicContact CB-CD2 3.97Å; D110-F139 HydrophobicContact CB-CE2 4.38Å; D110-F139 PolarHBondContact OD2-N 2.96Å; L133-F139 HydrophobicContact CD2-CB 3.97Å; G136-F139 WeakPolarHBondContact CA-O 3.45Å; G136-F139 PolarHBondContact N-O 3.33Å; F139-A142 HydrophobicContact CB-CB 4.45Å; F139-I185 HydrophobicContact CD1-CG2 3.31Å; F139-I185 HydrophobicContact CE1-CG2 3.61Å; F139-I185 HydrophobicContact CG-CG2 4.31Å; F139-Y303 HydrophobicContact CE1-CE1 4.48Å; F139-V307 HydrophobicContact CE1-CG1 3.96Å; F139-V307 HydrophobicContact CE1-CG2 4.22Å; F139-V307 HydrophobicContact CZ-CG1 3.75Å; F139-V307 HydrophobicContact CZ-CG2 4.45Å
140	E	98.4	Very high	97.6	Very high	7 Å²	7	21.6 Å²	21.6	3%	0.033	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-39.9	179.2	-173.3	178.5	101.4	0	0	111.4	E134 N135 H186 L188 R320 R327 R361 Y362	E134-E140 WeakPolarHBondContact CA-O 3.47Å; N135-E140 PolarHBondContact N-O 2.72Å; E140-H186 PolarHBondContact N-O 3.28Å; E140-L188 HydrophobicContact CB-CB 4.42Å; E140-L188 HydrophobicContact CB-CD1 4.44Å; E140-L188 WeakPolarHBondContact OE2-CD1 3.27Å; E140-R320 IonicContact OE1-NH2 3.68Å; E140-R320 IonicContact OE2-CZ 3.18Å; E140-R320 IonicContact OE2-NH1 2.84Å; E140-R320 PolarHBondContact OE2-NH1 3.04Å; E140-R320 IonicContact OE2-NH2 2.65Å; E140-R320 PolarHBondContact OE2-NH2 2.94Å; E140-R327 IonicContact OE1-CZ 3.35Å; E140-R327 IonicContact OE1-NH1 3.17Å; E140-R327 PolarHBondContact OE1-NH1 2.96Å; E140-R327 IonicContact OE1-NH2 3.83Å; E140-R327 IonicContact OE2-NH1 2.68Å; E140-R361 HydrophobicContact CG-CB 4.39Å; E140-Y362 HydrophobicContact CG-CE2 4.49Å; E140-Y362 WeakPolarHBondContact OE1-CD2 3.23Å
141	K	98.6	Very high	97.2	Very high	24 Å²	24	22.5 Å²	22.5	10%	0.104	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	132.3	171.2	-174.5	174.3	179.8	-164.6	0	109.2	L133 E134 H186 L356 M357 L359 R361	L133-K141 CarbonylContact O-C 3.54Å; L133-K141 WeakPolarHBondContact O-CA 3.13Å; E134-K141 HydrophobicContact CG-CG 4.27Å; K141-H186 PolarHBondContact N-O 3.44Å; K141-H186 WeakPolarHBondContact O-CA 3.37Å; K141-H186 WeakPolarHBondContact O-CB 3.43Å; K141-H186 PolarHBondContact O-N 3.36Å; K141-L356 PolarHBondContact NZ-O 3.37Å; K141-M357 WeakPolarHBondContact CE-O 3.27Å; K141-M357 PolarHBondContact NZ-O 2.71Å; K141-M357 VanDerWaalsContact NZ-O 3.09Å; K141-L359 WeakPolarHBondContact CD-O 3.3Å; K141-L359 PolarHBondContact NZ-O 2.97Å; K141-R361 HydrophobicContact CB-CB 4.46Å; K141-R361 HydrophobicContact CD-CB 4.42Å
142	A	98.6	Very high	96.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	145.9	172	0	0	0	0	0	108.8	F115 V132 L133 F139 V184 I185	F115-A142 HydrophobicContact CE1-CB 4.31Å; F115-A142 HydrophobicContact CZ-CB 4.26Å; V132-A142 CarbonylContact C-O 3.6Å; V132-A142 WeakPolarHBondContact CA-O 3.44Å; L133-A142 HydrophobicContact CB-CB 4.45Å; L133-A142 PolarHBondContact N-O 3.08Å; L133-A142 PolarHBondContact O-N 3.34Å; F139-A142 HydrophobicContact CB-CB 4.45Å; A142-V184 WeakPolarHBondContact CA-O 3.15Å; A142-I185 HydrophobicContact CB-CB 4.46Å; A142-I185 HydrophobicContact CB-CG1 4.21Å; A142-I185 HydrophobicContact CB-CG2 4.14Å
143	G	98.5	Very high	96.1	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	150.3	163.5	0	0	0	0	0	113.3	C131 S183 V184 M357	C131-G143 CarbonylContact O-C 3.6Å; C131-G143 WeakPolarHBondContact O-CA 3.42Å; G143-S183 WeakPolarHBondContact O-CA 3.39Å; G143-S183 PolarHBondContact O-OG 2.72Å; G143-V184 PolarHBondContact N-O 2.89Å; G143-V184 PolarHBondContact O-N 3.27Å; G143-V184 VanDerWaalsContact O-N 3.1Å; G143-M357 VanDerWaalsContact C-CE 3.47Å; G143-M357 WeakPolarHBondContact CA-SD 3.41Å; G143-M357 PolarHBondContact N-SD 2.84Å; G143-M357 WeakPolarHBondContact O-CE 3.2Å
144	V	98.7	Very high	95.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	101.1	-175.4	-168.2	0	0	0	0	106.3	Q99 L102 F115 C131 I181 S182	Q99-V144 HydrophobicContact CB-CG1 3.97Å; Q99-V144 HydrophobicContact CG-CB 4.13Å; Q99-V144 HydrophobicContact CG-CG1 3.77Å; Q99-V144 PolarHBondContact NE2-O 3.26Å; L102-V144 HydrophobicContact CD2-CG1 4.28Å; L102-V144 HydrophobicContact CD2-CG2 3.83Å; L102-V144 HydrophobicContact CG-CG2 4.32Å; F115-V144 HydrophobicContact CE1-CG2 4.27Å; F115-V144 HydrophobicContact CZ-CG2 4.41Å; C131-V144 WeakPolarHBondContact CB-O 3.46Å; C131-V144 PolarHBondContact N-O 3.41Å; C131-V144 PolarHBondContact O-N 3.25Å; V144-I181 HydrophobicContact CG1-CD1 3.8Å; V144-I181 HydrophobicContact CG1-CG1 4.13Å; V144-S182 CarbonylContact C-O 3.59Å; V144-S182 WeakPolarHBondContact CA-O 3.37Å
145	N	98.1	Very high	94.6	Very high	6 Å²	6	28.4 Å²	28.4	3%	0.032	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.9	-171.1	-69.5	-22.1	0	0	0	110.5	I129 S130 I181 S182 S354 M357	I129-N145 CarbonylContact O-C 3.56Å; I129-N145 WeakPolarHBondContact O-CA 3.3Å; S130-N145 VanDerWaalsContact CA-OD1 3.26Å; S130-N145 WeakPolarHBondContact CA-OD1 3.49Å; S130-N145 WeakPolarHBondContact CB-OD1 3.32Å; S130-N145 PolarHBondContact OG-OD1 3.46Å; N145-I181 CarbonylContact O-C 3.56Å; N145-I181 VanDerWaalsContact O-CA 3.26Å; N145-I181 WeakPolarHBondContact O-CA 3.39Å; N145-S182 PolarHBondContact N-O 3.06Å; N145-S182 PolarHBondContact O-N 3.43Å; N145-S354 PolarHBondContact ND2-O 2.69Å; N145-M357 WeakPolarHBondContact ND2-CE 3.45Å
146	I	98.3	Very high	93.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	140.9	167.3	-61.1	174.4	0	0	0	108.2	C95 M96 Q99 G128 I129 V148 G180 I181	C95-I146 HydrophobicContact CB-CD1 3.95Å; C95-I146 HydrophobicContact CB-CG1 4.02Å; C95-I146 HydrophobicContact CB-CG2 4.1Å; C95-I146 WeakPolarHBondContact O-CD1 3.5Å; M96-I146 HydrophobicContact CG-CD1 4.29Å; M96-I146 HydrophobicContact SD-CD1 3.53Å; M96-I146 VanDerWaalsContact SD-CD1 3.53Å; Q99-I146 HydrophobicContact CB-CD1 3.76Å; Q99-I146 HydrophobicContact CB-CG1 4.23Å; Q99-I146 HydrophobicContact CG-CD1 4.26Å; G128-I146 CarbonylContact C-O 3.5Å; G128-I146 WeakPolarHBondContact CA-O 3.3Å; I129-I146 HydrophobicContact CB-CB 4.37Å; I129-I146 PolarHBondContact N-O 2.81Å; I129-I146 PolarHBondContact O-N 3.3Å; I146-V148 HydrophobicContact CG2-CG2 4.13Å; I146-G180 CarbonylContact C-O 3.53Å; I146-G180 WeakPolarHBondContact CA-O 3.41Å; I146-I181 HydrophobicContact CG1-CG1 4.33Å
147	S	96.3	Very high	93	Very high	41 Å²	41	30.2 Å²	30.2	29%	0.287	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	131.5	170.6	-63.2	0	0	0	0	109.4	C179 G180	S147-C179 CarbonylContact O-C 3.5Å; S147-C179 VanDerWaalsContact O-CA 3.28Å; S147-C179 WeakPolarHBondContact O-CA 3.5Å; S147-G180 PolarHBondContact N-O 3.47Å; S147-G180 PolarHBondContact O-N 2.69Å
148	V	96.5	Very high	92.3	Very high	5 Å²	5	26.2 Å²	26.2	3%	0.03	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	101.1	176	-177	0	0	0	0	106.7	V74 E92 G126 G127 I146 F177 A178	V74-V148 HydrophobicContact CB-CB 3.82Å; V74-V148 HydrophobicContact CB-CG1 4.49Å; V74-V148 HydrophobicContact CB-CG2 3.87Å; V74-V148 HydrophobicContact CG1-CB 3.9Å; V74-V148 HydrophobicContact CG1-CG1 4.47Å; V74-V148 HydrophobicContact CG1-CG2 4.5Å; V74-V148 HydrophobicContact CG2-CB 4.1Å; V74-V148 HydrophobicContact CG2-CG2 3.89Å; E92-V148 HydrophobicContact CG-CG2 3.98Å; G126-V148 CarbonylContact C-O 3.43Å; G126-V148 WeakPolarHBondContact CA-O 3.47Å; G127-V148 PolarHBondContact N-O 2.97Å; G127-V148 PolarHBondContact O-N 2.79Å; I146-V148 HydrophobicContact CG2-CG2 4.13Å; V148-F177 HydrophobicContact CG1-CE2 3.63Å; V148-F177 HydrophobicContact CG1-CZ 3.85Å; V148-A178 CarbonylContact C-O 3.47Å; V148-A178 WeakPolarHBondContact CA-O 3.16Å
149	I	93.5	Very high	91.5	Very high	19 Å²	19	32.9 Å²	32.9	10%	0.097	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.6	-166.4	-55.9	-53.9	0	0	0	109.3	W120 G127 F176 F177 A178	W120-I149 HydrophobicContact CH2-CD1 4.2Å; W120-I149 HydrophobicContact CZ3-CD1 4.47Å; G127-I149 WeakPolarHBondContact O-CD1 3.12Å; I149-F176 HydrophobicContact CB-CE2 4.5Å; I149-F176 HydrophobicContact CG2-CE2 3.73Å; I149-F176 HydrophobicContact CG2-CZ 3.83Å; I149-F177 CarbonylContact O-C 3.43Å; I149-F177 WeakPolarHBondContact O-CA 3.16Å; I149-A178 HydrophobicContact CB-CB 4.44Å; I149-A178 PolarHBondContact N-O 3.36Å; I149-A178 PolarHBondContact O-N 3.16Å
150	S	91.7	Very high	90.6	Very high	45 Å²	45	37.7 Å²	37.7	32%	0.315	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.4	168.9	58.4	0	0	0	0	109.7	F176	S150-F176 WeakPolarHBondContact CA-O 3.44Å
151	G	90.2	Very high	89.8	Confident	22 Å²	22	38.6 Å²	38.6	23%	0.227	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	173.5	-161.7	176.2	0	0	0	0	0	112	K175 F176	G151-K175 CarbonylContact O-C 3.58Å; G151-K175 WeakPolarHBondContact O-CA 3.25Å; G151-F176 VanDerWaalsContact C-CD1 3.48Å; G151-F176 VanDerWaalsContact C-CE1 3.49Å; G151-F176 PolarHBondContact N-O 3Å; G151-F176 WeakPolarHBondContact O-CD1 3.26Å; G151-F176 PolarHBondContact O-N 2.95Å
152	N	88.8	Confident	89	Confident	84 Å²	84	42 Å²	42	45%	0.449	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.9	172.7	-71.3	-30.4	0	0	0	110	K175	N152-K175 VanDerWaalsContact OD1-CG 3.26Å; N152-K175 WeakPolarHBondContact OD1-CG 3.41Å
153	L	85	Confident	88	Confident	23 Å²	23	46 Å²	46	12%	0.12	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-64.4	140.1	172.9	-66.7	175.3	0	0	0	110.2	A157 V158 M161 C174 F176 F202 V204	L153-A157 HydrophobicContact CB-CB 4.37Å; L153-A157 HydrophobicContact CD2-CB 4.2Å; L153-V158 HydrophobicContact CB-CG2 3.59Å; L153-V158 HydrophobicContact CD1-CG2 4.09Å; L153-M161 HydrophobicContact CD1-SD 3.46Å; L153-M161 WeakPolarHBondContact CD1-SD 3.33Å; L153-M161 HydrophobicContact CD2-CE 3.83Å; L153-M161 HydrophobicContact CD2-SD 3.82Å; L153-M161 HydrophobicContact CG-SD 4.31Å; L153-C174 HydrophobicContact CB-CB 4.11Å; L153-C174 HydrophobicContact CD1-CB 3.87Å; L153-C174 HydrophobicContact CG-CB 4.24Å; L153-C174 PolarHBondContact N-O 3.07Å; L153-F176 HydrophobicContact CD2-CB 4.01Å; L153-F176 HydrophobicContact CD2-CD1 3.68Å; L153-F176 HydrophobicContact CD2-CE1 4.31Å; L153-F176 HydrophobicContact CD2-CG 3.84Å; L153-F176 HydrophobicContact CG-CB 4.07Å; L153-F176 HydrophobicContact CG-CD1 3.94Å; L153-F176 HydrophobicContact CG-CG 4.26Å; L153-F202 HydrophobicContact CD2-CZ 4.06Å; L153-V204 HydrophobicContact CD1-CG1 4.02Å; L153-V204 HydrophobicContact CD1-CG2 3.91Å
154	S	82.5	Confident	87.1	Confident	69 Å²	69	52.2 Å²	52.2	48%	0.483	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-69.8	155.7	169.1	70.5	0	0	0	0	110.4	Q156 A157 V158	S154-Q156 PolarHBondContact O-N 3.25Å; S154-Q156 VanDerWaalsContact O-N 3.16Å; S154-A157 PolarHBondContact O-N 3.01Å; S154-A157 WeakPolarHBondContact OG-CB 3.43Å; S154-A157 PolarHBondContact OG-N 3.31Å; S154-A157 VanDerWaalsContact OG-N 3.13Å; S154-V158 WeakPolarHBondContact O-CG2 3.45Å; S154-V158 PolarHBondContact O-N 3.29Å
155	G	82.6	Confident	86.3	Confident	66 Å²	66	52.9 Å²	52.9	68%	0.68	30%	0.298	S	S	*	.	H	α-helix	trans	-56.4	-33	177	0	0	0	0	0	113.5	K159	G155-K159 PolarHBondContact O-N 3.38Å
156	Q	80.8	Confident	85.5	Confident	107 Å²	107	58.8 Å²	58.8	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-68.6	-45.4	173.5	-177.6	60.9	24	0	0	112	S154 V158 K159 E160	S154-Q156 PolarHBondContact O-N 3.25Å; S154-Q156 VanDerWaalsContact O-N 3.16Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 2.82Å; Q156-K159 WeakPolarHBondContact O-CB 3.29Å; Q156-K159 PolarHBondContact O-N 2.98Å; Q156-K159 VanDerWaalsContact O-N 3.16Å; Q156-E160 PolarHBondContact NE2-OE1 3.38Å; Q156-E160 PolarHBondContact O-N 2.91Å
157	A	79.8	Confident	84.8	Confident	13 Å²	13	64.9 Å²	64.9	11%	0.107	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-40.1	176.6	0	0	0	0	0	111.4	L153 S154 K159 E160 M161	L153-A157 HydrophobicContact CB-CB 4.37Å; L153-A157 HydrophobicContact CD2-CB 4.2Å; S154-A157 PolarHBondContact O-N 3.01Å; S154-A157 WeakPolarHBondContact OG-CB 3.43Å; S154-A157 PolarHBondContact OG-N 3.31Å; S154-A157 VanDerWaalsContact OG-N 3.13Å; A157-K159 PolarHBondContact O-N 2.99Å; A157-E160 PolarHBondContact O-N 3.26Å; A157-M161 WeakPolarHBondContact O-CB 2.89Å; A157-M161 VanDerWaalsContact O-CG 3.3Å; A157-M161 WeakPolarHBondContact O-CG 3.3Å; A157-M161 PolarHBondContact O-N 3.04Å
158	V	83.2	Confident	84.1	Confident	9 Å²	9	63 Å²	63	6%	0.055	34%	0.344	C	S	.	.	H	α-helix	trans	-59.8	-46.3	173	174	0	0	0	0	110.9	L153 S154 Q156 E160 M161 R162 I168 P170 C174	L153-V158 HydrophobicContact CB-CG2 3.59Å; L153-V158 HydrophobicContact CD1-CG2 4.09Å; S154-V158 WeakPolarHBondContact O-CG2 3.45Å; S154-V158 PolarHBondContact O-N 3.29Å; Q156-V158 VanDerWaalsContact C-N 3.31Å; Q156-V158 PolarHBondContact O-N 2.82Å; V158-E160 PolarHBondContact O-N 2.92Å; V158-M161 PolarHBondContact O-N 3.42Å; V158-R162 HydrophobicContact CG1-CG 4.18Å; V158-R162 WeakPolarHBondContact O-CB 3.41Å; V158-R162 VanDerWaalsContact O-CG 3.26Å; V158-R162 WeakPolarHBondContact O-CG 3.26Å; V158-R162 PolarHBondContact O-N 3.02Å; V158-I168 HydrophobicContact CG1-CG2 3.81Å; V158-P170 HydrophobicContact CG1-CB 4.12Å; V158-C174 HydrophobicContact CG2-CB 4.13Å
159	K	82.1	Confident	83.3	Confident	151 Å²	151	65.6 Å²	65.6	66%	0.657	36%	0.358	S	S	*	.	H	α-helix	trans	-59.8	-43.7	178.4	-174.2	-179.6	178.4	-178.1	0	112.4	G155 Q156 A157	G155-K159 PolarHBondContact O-N 3.38Å; Q156-K159 WeakPolarHBondContact O-CB 3.29Å; Q156-K159 PolarHBondContact O-N 2.98Å; Q156-K159 VanDerWaalsContact O-N 3.16Å; A157-K159 PolarHBondContact O-N 2.99Å
160	E	80	Confident	82.7	Confident	101 Å²	101	67.8 Å²	67.8	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-68.9	-40.8	178.5	-72.3	173.5	-164.6	0	0	112.5	Q156 A157 V158 A163	Q156-E160 PolarHBondContact NE2-OE1 3.38Å; Q156-E160 PolarHBondContact O-N 2.91Å; A157-E160 PolarHBondContact O-N 3.26Å; V158-E160 PolarHBondContact O-N 2.92Å; E160-A163 PolarHBondContact O-N 3.16Å
161	M	81.7	Confident	82.3	Confident	25 Å²	25	72.7 Å²	72.7	12%	0.123	40%	0.396	C	S	.	.	H	α-helix	trans	-68.6	-37.3	177.6	-74.4	178.3	175.9	0	0	112.1	L153 A157 V158 A163 R164 H165 I168 F202 V204 W214	L153-M161 HydrophobicContact CD1-SD 3.46Å; L153-M161 WeakPolarHBondContact CD1-SD 3.33Å; L153-M161 HydrophobicContact CD2-CE 3.83Å; L153-M161 HydrophobicContact CD2-SD 3.82Å; L153-M161 HydrophobicContact CG-SD 4.31Å; A157-M161 WeakPolarHBondContact O-CB 2.89Å; A157-M161 VanDerWaalsContact O-CG 3.3Å; A157-M161 WeakPolarHBondContact O-CG 3.3Å; A157-M161 PolarHBondContact O-N 3.04Å; V158-M161 PolarHBondContact O-N 3.42Å; M161-A163 PolarHBondContact O-N 3.37Å; M161-R164 CarbonylContact O-C 3.54Å; M161-R164 PolarHBondContact O-N 2.93Å; M161-H165 PolarHBondContact O-N 2.65Å; M161-I168 HydrophobicContact CB-CD1 3.76Å; M161-I168 HydrophobicContact SD-CD1 4.49Å; M161-F202 HydrophobicContact CE-CD1 4.41Å; M161-F202 HydrophobicContact CE-CE1 3.5Å; M161-F202 HydrophobicContact CE-CE2 4.1Å; M161-F202 HydrophobicContact CE-CZ 3.34Å; M161-F202 HydrophobicContact SD-CE1 4.09Å; M161-F202 HydrophobicContact SD-CZ 4.37Å; M161-V204 HydrophobicContact SD-CG2 4.43Å; M161-W214 HydrophobicContact CE-CH2 4.27Å; M161-W214 HydrophobicContact CE-CZ2 4.31Å; M161-W214 HydrophobicContact SD-CH2 4.2Å
162	R	81.8	Confident	81.9	Confident	95 Å²	95	78 Å²	78	36%	0.358	41%	0.413	S	S	.	.	H	α-helix	trans	-61.1	-25.5	178.8	-79.4	-175.4	77.3	-132.9	-5.8	113.8	V158 R164 H165 N166 I168	V158-R162 HydrophobicContact CG1-CG 4.18Å; V158-R162 WeakPolarHBondContact O-CB 3.41Å; V158-R162 VanDerWaalsContact O-CG 3.26Å; V158-R162 WeakPolarHBondContact O-CG 3.26Å; V158-R162 PolarHBondContact O-N 3.02Å; R162-R164 PolarHBondContact O-N 3.48Å; R162-R164 VanDerWaalsContact O-N 3.15Å; R162-H165 WeakPolarHBondContact CA-O 3.34Å; R162-N166 PolarHBondContact O-OD1 2.81Å; R162-I168 WeakPolarHBondContact CD-O 3.39Å; R162-I168 HydrophobicContact CG-CB 3.89Å; R162-I168 HydrophobicContact CG-CG2 4.39Å; R162-I168 PolarHBondContact NE-O 2.99Å
163	A	79.1	Confident	81.6	Confident	84 Å²	84	81 Å²	81	69%	0.694	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-20.8	173.3	0	0	0	0	0	113	E160 M161	E160-A163 PolarHBondContact O-N 3.16Å; M161-A163 PolarHBondContact O-N 3.37Å
164	R	78.2	Confident	81.7	Confident	132 Å²	132	80.3 Å²	80.3	50%	0.498	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-27.3	179.4	-58.3	-169.3	-65.3	-82.7	-2.4	112.8	M161 R162 D279	M161-R164 CarbonylContact O-C 3.54Å; M161-R164 PolarHBondContact O-N 2.93Å; R162-R164 PolarHBondContact O-N 3.48Å; R162-R164 VanDerWaalsContact O-N 3.15Å; R164-D279 WeakPolarHBondContact CD-OD2 3.24Å; R164-D279 IonicContact CZ-OD2 3.22Å; R164-D279 IonicContact NE-OD2 3.98Å; R164-D279 PolarHBondContact NE-OD2 2.97Å
165	H	81.2	Confident	82.1	Confident	14 Å²	14	82.6 Å²	82.6	7%	0.065	42%	0.422	C	S	.	.			trans	-128.5	82.3	-178.8	-54.9	-79.2	0	0	0	110.8	M161 R162 E167 I168 W214 E281	M161-H165 PolarHBondContact O-N 2.65Å; R162-H165 WeakPolarHBondContact CA-O 3.34Å; H165-E167 PolarHBondContact O-N 2.92Å; H165-I168 HydrophobicContact CB-CD1 3.92Å; H165-I168 HydrophobicContact CB-CG1 4.21Å; H165-I168 PolarHBondContact O-N 3.31Å; H165-W214 AromaticContact CD2-CZ3 3.94Å; H165-W214 AromaticContact CE1-CE3 3.68Å; H165-W214 AromaticContact CE1-CZ3 3.99Å; H165-W214 AromaticContact NE2-CD2 3.96Å; H165-W214 AromaticContact NE2-CE3 3.66Å; H165-W214 AromaticContact NE2-CH2 3.99Å; H165-W214 AromaticContact NE2-CZ3 3.69Å; H165-E281 IonicContact CE1-OE2 3.58Å; H165-E281 IonicContact ND1-OE2 3.95Å
166	N	82	Confident	82.6	Confident	129 Å²	129	81 Å²	81	69%	0.69	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-18	-174.4	-71.8	-29.6	0	0	0	114.5	R162 I168	R162-N166 PolarHBondContact O-OD1 2.81Å; N166-I168 VanDerWaalsContact C-N 3.31Å; N166-I168 PolarHBondContact O-N 3.17Å
167	E	83.9	Confident	83.2	Confident	129 Å²	129	76.5 Å²	76.5	60%	0.603	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-16	-178.1	-63.9	-173.5	-122.2	0	0	114.6	H165 D169 L206 R210	H165-E167 PolarHBondContact O-N 2.92Å; E167-D169 PolarHBondContact O-N 3.39Å; E167-L206 HydrophobicContact CB-CD1 4.12Å; E167-R210 IonicContact OE2-NH1 4Å
168	I	81.1	Confident	83.9	Confident	2 Å²	2	76.9 Å²	76.9	1%	0.01	38%	0.379	C	S	.	.			trans	-70	121.1	178.7	-58.6	173.7	0	0	0	109	V158 M161 R162 H165 N166 P170 C174 V204 L206	V158-I168 HydrophobicContact CG1-CG2 3.81Å; M161-I168 HydrophobicContact CB-CD1 3.76Å; M161-I168 HydrophobicContact SD-CD1 4.49Å; R162-I168 WeakPolarHBondContact CD-O 3.39Å; R162-I168 HydrophobicContact CG-CB 3.89Å; R162-I168 HydrophobicContact CG-CG2 4.39Å; R162-I168 PolarHBondContact NE-O 2.99Å; H165-I168 HydrophobicContact CB-CD1 3.92Å; H165-I168 HydrophobicContact CB-CG1 4.21Å; H165-I168 PolarHBondContact O-N 3.31Å; N166-I168 VanDerWaalsContact C-N 3.31Å; N166-I168 PolarHBondContact O-N 3.17Å; I168-P170 WeakPolarHBondContact O-CD 3.48Å; I168-C174 HydrophobicContact CG2-CB 4.37Å; I168-C174 WeakPolarHBondContact CG2-SG 3.04Å; I168-V204 HydrophobicContact CD1-CG2 4.38Å; I168-L206 HydrophobicContact CG1-CD2 4.03Å
169	D	80.9	Confident	84.6	Confident	58 Å²	58	76.5 Å²	76.5	31%	0.31	38%	0.377	S	S	.	.			trans	-82.8	112.3	179.6	-175.4	-8.4	0	0	0	110.6	E167 N171 K172 C174	E167-D169 PolarHBondContact O-N 3.39Å; D169-N171 PolarHBondContact O-N 3.43Å; D169-N171 VanDerWaalsContact O-N 3.16Å; D169-N171 WeakPolarHBondContact OD1-CB 3.31Å; D169-N171 PolarHBondContact OD1-N 3.24Å; D169-N171 PolarHBondContact OD1-ND2 3.31Å; D169-K172 HydrophobicContact CB-CB 4.34Å; D169-K172 HydrophobicContact CB-CD 4.25Å; D169-K172 HydrophobicContact CB-CG 4.35Å; D169-K172 PolarHBondContact O-N 2.95Å; D169-K172 VanDerWaalsContact OD2-CD 3.3Å; D169-K172 WeakPolarHBondContact OD2-CD 3.46Å; D169-K172 WeakPolarHBondContact OD2-CE 3.31Å; D169-K172 WeakPolarHBondContact OD2-CG 3.42Å; D169-K172 IonicContact OD2-NZ 3.77Å; D169-C174 PolarHBondContact O-SG 2.92Å; D169-C174 VanDerWaalsContact O-SG 3.39Å
170	P	81.1	Confident	85.3	Confident	66 Å²	66	69.8 Å²	69.8	43%	0.429	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-12.9	-178.1	31.7	-37	0	0	0	113.9	V158 I168	V158-P170 HydrophobicContact CG1-CB 4.12Å; I168-P170 WeakPolarHBondContact O-CD 3.48Å
171	N	83.4	Confident	86.2	Confident	147 Å²	147	65.1 Å²	65.1	79%	0.786	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-0.1	-178.7	-54.8	-58.5	0	0	0	112.8	D169	D169-N171 PolarHBondContact O-N 3.43Å; D169-N171 VanDerWaalsContact O-N 3.16Å; D169-N171 WeakPolarHBondContact OD1-CB 3.31Å; D169-N171 PolarHBondContact OD1-N 3.24Å; D169-N171 PolarHBondContact OD1-ND2 3.31Å
172	K	81.2	Confident	87	Confident	135 Å²	135	65.8 Å²	65.8	59%	0.587	34%	0.335	S	S	*	.	S	Bend	trans	-117	154	179.4	-69.8	-178.6	-175.7	172.2	0	111.5	D169 C174	D169-K172 HydrophobicContact CB-CB 4.34Å; D169-K172 HydrophobicContact CB-CD 4.25Å; D169-K172 HydrophobicContact CB-CG 4.35Å; D169-K172 PolarHBondContact O-N 2.95Å; D169-K172 VanDerWaalsContact OD2-CD 3.3Å; D169-K172 WeakPolarHBondContact OD2-CD 3.46Å; D169-K172 WeakPolarHBondContact OD2-CE 3.31Å; D169-K172 WeakPolarHBondContact OD2-CG 3.42Å; D169-K172 IonicContact OD2-NZ 3.77Å; K172-C174 PolarHBondContact O-N 3.22Å; K172-C174 VanDerWaalsContact O-N 3.08Å; K172-C174 PolarHBondContact O-SG 3.32Å; K172-C174 VanDerWaalsContact O-SG 3.36Å
173	E	83	Confident	87.8	Confident	147 Å²	147	61.3 Å²	61.3	69%	0.687	32%	0.319	S	S	*	.			trans	-61	112.8	166.9	-69.1	-168.9	164.8	0	0	109.7	K175	E173-K175 PolarHBondContact O-N 3.38Å
174	C	86	Confident	88.7	Confident	7 Å²	7	57.6 Å²	57.6	5%	0.047	29%	0.288	C	S	.	.			trans	-93.3	90.8	178.3	-63.2	0	0	0	0	109.1	L153 V158 I168 D169 K172 V204	L153-C174 HydrophobicContact CB-CB 4.11Å; L153-C174 HydrophobicContact CD1-CB 3.87Å; L153-C174 HydrophobicContact CG-CB 4.24Å; L153-C174 PolarHBondContact N-O 3.07Å; V158-C174 HydrophobicContact CG2-CB 4.13Å; I168-C174 HydrophobicContact CG2-CB 4.37Å; I168-C174 WeakPolarHBondContact CG2-SG 3.04Å; D169-C174 PolarHBondContact O-SG 2.92Å; D169-C174 VanDerWaalsContact O-SG 3.39Å; K172-C174 PolarHBondContact O-N 3.22Å; K172-C174 VanDerWaalsContact O-N 3.08Å; K172-C174 PolarHBondContact O-SG 3.32Å; K172-C174 VanDerWaalsContact O-SG 3.36Å; C174-V204 HydrophobicContact CB-CG1 3.97Å
175	K	91.4	Very high	89.7	Confident	118 Å²	118	51.4 Å²	51.4	51%	0.513	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	131.9	173.9	-69.8	175.6	-177.5	176.8	0	109.3	G151 N152 E173 V204 D205	G151-K175 CarbonylContact O-C 3.58Å; G151-K175 WeakPolarHBondContact O-CA 3.25Å; N152-K175 VanDerWaalsContact OD1-CG 3.26Å; N152-K175 WeakPolarHBondContact OD1-CG 3.41Å; E173-K175 PolarHBondContact O-N 3.38Å; K175-V204 CarbonylContact O-C 3.54Å; K175-V204 WeakPolarHBondContact O-CA 3.35Å; K175-D205 HydrophobicContact CB-CB 4.07Å; K175-D205 PolarHBondContact O-N 2.91Å
176	F	92.5	Very high	90.5	Very high	33 Å²	33	50.8 Å²	50.8	15%	0.145	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	159	176.9	79.6	-84.3	0	0	0	111.9	I149 S150 G151 L153 A178 F202 E203 V204	I149-F176 HydrophobicContact CB-CE2 4.5Å; I149-F176 HydrophobicContact CG2-CE2 3.73Å; I149-F176 HydrophobicContact CG2-CZ 3.83Å; S150-F176 WeakPolarHBondContact CA-O 3.44Å; G151-F176 VanDerWaalsContact C-CD1 3.48Å; G151-F176 VanDerWaalsContact C-CE1 3.49Å; G151-F176 PolarHBondContact N-O 3Å; G151-F176 WeakPolarHBondContact O-CD1 3.26Å; G151-F176 PolarHBondContact O-N 2.95Å; L153-F176 HydrophobicContact CD2-CB 4.01Å; L153-F176 HydrophobicContact CD2-CD1 3.68Å; L153-F176 HydrophobicContact CD2-CE1 4.31Å; L153-F176 HydrophobicContact CD2-CG 3.84Å; L153-F176 HydrophobicContact CG-CB 4.07Å; L153-F176 HydrophobicContact CG-CD1 3.94Å; L153-F176 HydrophobicContact CG-CG 4.26Å; F176-A178 HydrophobicContact CD2-CB 4.43Å; F176-A178 HydrophobicContact CE2-CB 4.39Å; F176-F202 HydrophobicContact CB-CE1 4Å; F176-F202 HydrophobicContact CB-CZ 3.87Å; F176-F202 HydrophobicContact CD2-CE1 4.42Å; F176-F202 AromaticContact CD2-CE2 3.8Å; F176-F202 HydrophobicContact CD2-CE2 3.8Å; F176-F202 AromaticContact CD2-CZ 3.55Å; F176-F202 HydrophobicContact CD2-CZ 3.55Å; F176-F202 HydrophobicContact CE2-CE2 4.33Å; F176-F202 HydrophobicContact CE2-CZ 4.38Å; F176-F202 AromaticContact CG-CZ 3.91Å; F176-F202 HydrophobicContact CG-CZ 3.91Å; F176-E203 CarbonylContact C-O 3.55Å; F176-E203 WeakPolarHBondContact CA-O 3.36Å; F176-E203 WeakPolarHBondContact CB-O 3.29Å; F176-V204 HydrophobicContact CB-CG2 4.33Å
177	F	94.2	Very high	91.3	Very high	11 Å²	11	44.6 Å²	44.6	5%	0.048	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	139.3	166.1	173.2	-88.1	0	0	0	109.2	R88 V148 I149 C179 Y201 F202 E203	R88-F177 HydrophobicContact CB-CD1 4.21Å; R88-F177 HydrophobicContact CB-CE1 3.62Å; R88-F177 HydrophobicContact CB-CE2 4.23Å; R88-F177 HydrophobicContact CB-CZ 3.62Å; R88-F177 HydrophobicContact CG-CD1 3.61Å; R88-F177 HydrophobicContact CG-CD2 4.37Å; R88-F177 HydrophobicContact CG-CE1 3.55Å; R88-F177 HydrophobicContact CG-CE2 4.32Å; R88-F177 HydrophobicContact CG-CG 4.02Å; R88-F177 HydrophobicContact CG-CZ 3.92Å; V148-F177 HydrophobicContact CG1-CE2 3.63Å; V148-F177 HydrophobicContact CG1-CZ 3.85Å; I149-F177 CarbonylContact O-C 3.43Å; I149-F177 WeakPolarHBondContact O-CA 3.16Å; F177-C179 HydrophobicContact CE1-CB 3.47Å; F177-C179 VanDerWaalsContact CE1-CB 3.47Å; F177-C179 HydrophobicContact CZ-CB 3.64Å; F177-Y201 AromaticContact CD1-CD1 3.98Å; F177-Y201 HydrophobicContact CD1-CD1 3.98Å; F177-Y201 HydrophobicContact CD1-CE1 4.06Å; F177-Y201 AromaticContact CE1-CD1 3.91Å; F177-Y201 HydrophobicContact CE1-CD1 3.91Å; F177-Y201 HydrophobicContact CE1-CE1 4.27Å; F177-F202 CarbonylContact O-C 3.55Å; F177-F202 WeakPolarHBondContact O-CA 3.45Å; F177-E203 HydrophobicContact CB-CG 3.73Å; F177-E203 HydrophobicContact CD1-CG 4.25Å; F177-E203 HydrophobicContact CG-CG 4.45Å; F177-E203 PolarHBondContact N-O 3.46Å; F177-E203 PolarHBondContact O-N 3.35Å
178	A	94.8	Very high	92	Very high	21 Å²	21	40.7 Å²	40.7	17%	0.174	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	128	173.8	0	0	0	0	0	109.9	V148 I149 F176 Y201 F202	V148-A178 CarbonylContact C-O 3.47Å; V148-A178 WeakPolarHBondContact CA-O 3.16Å; I149-A178 HydrophobicContact CB-CB 4.44Å; I149-A178 PolarHBondContact N-O 3.36Å; I149-A178 PolarHBondContact O-N 3.16Å; F176-A178 HydrophobicContact CD2-CB 4.43Å; F176-A178 HydrophobicContact CE2-CB 4.39Å; A178-Y201 CarbonylContact C-O 3.54Å; A178-Y201 VanDerWaalsContact CA-O 3.28Å; A178-Y201 WeakPolarHBondContact CA-O 3.47Å; A178-F202 HydrophobicContact CB-CD2 3.6Å; A178-F202 HydrophobicContact CB-CE2 3.8Å
179	C	97.1	Very high	92.8	Very high	2 Å²	2	41 Å²	41	1%	0.014	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.5	173.8	178.6	0	0	0	0	109.3	M91 S147 F177 R200 Y201	M91-C179 HydrophobicContact CB-CB 4.35Å; M91-C179 HydrophobicContact CG-CB 3.97Å; S147-C179 CarbonylContact O-C 3.5Å; S147-C179 VanDerWaalsContact O-CA 3.28Å; S147-C179 WeakPolarHBondContact O-CA 3.5Å; F177-C179 HydrophobicContact CE1-CB 3.47Å; F177-C179 VanDerWaalsContact CE1-CB 3.47Å; F177-C179 HydrophobicContact CZ-CB 3.64Å; C179-R200 CarbonylContact O-C 3.6Å; C179-R200 WeakPolarHBondContact O-CA 3.17Å; C179-Y201 PolarHBondContact N-O 3.07Å; C179-Y201 PolarHBondContact O-N 3.3Å
180	G	97.9	Very high	93.7	Very high	10 Å²	10	38.3 Å²	38.3	10%	0.103	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.7	163.1	176.6	0	0	0	0	0	114.5	C95 I146 S147 F199	C95-G180 VanDerWaalsContact SG-C 3.59Å; I146-G180 CarbonylContact C-O 3.53Å; I146-G180 WeakPolarHBondContact CA-O 3.41Å; S147-G180 PolarHBondContact N-O 3.47Å; S147-G180 PolarHBondContact O-N 2.69Å; G180-F199 CarbonylContact C-O 3.59Å; G180-F199 WeakPolarHBondContact CA-O 3.47Å
181	I	98.5	Very high	94.5	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	137.6	171.7	-173.3	171.5	0	0	0	108.9	C95 L98 Q99 V144 N145 I146 F197 N198 F199	C95-I181 HydrophobicContact CB-CB 4.1Å; L98-I181 HydrophobicContact CB-CD1 3.97Å; L98-I181 HydrophobicContact CD2-CD1 4Å; L98-I181 HydrophobicContact CD2-CG2 4.24Å; L98-I181 HydrophobicContact CG-CD1 3.88Å; Q99-I181 HydrophobicContact CB-CD1 3.99Å; V144-I181 HydrophobicContact CG1-CD1 3.8Å; V144-I181 HydrophobicContact CG1-CG1 4.13Å; N145-I181 CarbonylContact O-C 3.56Å; N145-I181 VanDerWaalsContact O-CA 3.26Å; N145-I181 WeakPolarHBondContact O-CA 3.39Å; I146-I181 HydrophobicContact CG1-CG1 4.33Å; I181-F197 HydrophobicContact CD1-CE2 4.14Å; I181-F197 HydrophobicContact CD1-CZ 4.47Å; I181-F197 HydrophobicContact CG1-CE2 4.07Å; I181-F197 HydrophobicContact CG2-CE2 4.24Å; I181-N198 CarbonylContact O-C 3.59Å; I181-N198 VanDerWaalsContact O-CA 3.28Å; I181-N198 WeakPolarHBondContact O-CA 3.26Å; I181-N198 PolarHBondContact O-ND2 3.19Å; I181-F199 HydrophobicContact CG2-CB 4.15Å; I181-F199 HydrophobicContact CG2-CD2 4.22Å; I181-F199 PolarHBondContact N-O 3.13Å; I181-F199 PolarHBondContact O-N 3.11Å
182	S	97.6	Very high	95.3	Very high	38 Å²	38	29.3 Å²	29.3	27%	0.266	15%	0.145	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	147	170.4	62.3	0	0	0	0	110.1	V144 N145 F197	V144-S182 CarbonylContact C-O 3.59Å; V144-S182 WeakPolarHBondContact CA-O 3.37Å; N145-S182 PolarHBondContact N-O 3.06Å; N145-S182 PolarHBondContact O-N 3.43Å; S182-F197 CarbonylContact C-O 3.29Å; S182-F197 WeakPolarHBondContact CA-O 3.5Å
183	S	98.5	Very high	96.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	142.8	177.9	178.5	0	0	0	0	110.8	G143 H196 F197	G143-S183 WeakPolarHBondContact O-CA 3.39Å; G143-S183 PolarHBondContact O-OG 2.72Å; S183-H196 VanDerWaalsContact O-CA 3.25Å; S183-H196 WeakPolarHBondContact O-CA 3.49Å; S183-H196 PolarHBondContact O-CD2 2.81Å; S183-F197 PolarHBondContact N-O 3.35Å; S183-F197 PolarHBondContact O-N 3.46Å; S183-F197 WeakPolarHBondContact OG-CE1 3.45Å
184	V	98.5	Very high	96.9	Very high	7 Å²	7	16.2 Å²	16.2	4%	0.042	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	132.3	167.1	-175.5	0	0	0	0	107.9	A142 G143 H186 T194 T195 H196 Y330	A142-V184 WeakPolarHBondContact CA-O 3.15Å; G143-V184 PolarHBondContact N-O 2.89Å; G143-V184 PolarHBondContact O-N 3.27Å; G143-V184 VanDerWaalsContact O-N 3.1Å; V184-H186 VanDerWaalsContact CG1-NE2 3.27Å; V184-H186 WeakPolarHBondContact CG1-NE2 3.25Å; V184-T194 HydrophobicContact CG1-CG2 4.3Å; V184-T195 WeakPolarHBondContact CA-O 3.38Å; V184-H196 HydrophobicContact CG2-CB 4.27Å; V184-Y330 HydrophobicContact CG1-CE1 4.2Å; V184-Y330 VanDerWaalsContact CG1-OH 3.3Å; V184-Y330 WeakPolarHBondContact CG1-OH 3.49Å
185	I	98.8	Very high	97.5	Very high	1 Å²	1	16 Å²	16	1%	0.005	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.7	-178.4	-56.2	170.3	0	0	0	108.5	I106 F139 A142 P187 T194 T195 Y303	I106-I185 HydrophobicContact CD1-CD1 3.58Å; I106-I185 HydrophobicContact CD1-CG1 4.26Å; F139-I185 HydrophobicContact CD1-CG2 3.31Å; F139-I185 HydrophobicContact CE1-CG2 3.61Å; F139-I185 HydrophobicContact CG-CG2 4.31Å; A142-I185 HydrophobicContact CB-CB 4.46Å; A142-I185 HydrophobicContact CB-CG1 4.21Å; A142-I185 HydrophobicContact CB-CG2 4.14Å; I185-P187 WeakPolarHBondContact O-CD 3.45Å; I185-T194 VanDerWaalsContact O-CA 3.24Å; I185-T194 WeakPolarHBondContact O-CA 3.36Å; I185-T194 WeakPolarHBondContact O-CG2 3.3Å; I185-T195 HydrophobicContact CB-CG2 4.12Å; I185-T195 HydrophobicContact CD1-CG2 3.93Å; I185-T195 HydrophobicContact CG1-CG2 4.29Å; I185-T195 PolarHBondContact N-O 3.21Å; I185-T195 PolarHBondContact O-N 2.91Å; I185-Y303 HydrophobicContact CB-CE1 4.22Å; I185-Y303 HydrophobicContact CD1-CD1 4.09Å; I185-Y303 HydrophobicContact CD1-CE1 3.72Å; I185-Y303 HydrophobicContact CG2-CE1 4.03Å
186	H	98.8	Very high	97.8	Very high	1 Å²	1	12 Å²	12	1%	0.005	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	101	178.4	-65.1	-58.5	0	0	0	110.5	E140 K141 V184 T194 Y330 S358 P360	E140-H186 PolarHBondContact N-O 3.28Å; K141-H186 PolarHBondContact N-O 3.44Å; K141-H186 WeakPolarHBondContact O-CA 3.37Å; K141-H186 WeakPolarHBondContact O-CB 3.43Å; K141-H186 PolarHBondContact O-N 3.36Å; V184-H186 VanDerWaalsContact CG1-NE2 3.27Å; V184-H186 WeakPolarHBondContact CG1-NE2 3.25Å; H186-T194 WeakPolarHBondContact ND1-CG2 3.3Å; H186-T194 PolarHBondContact ND1-OG1 3.1Å; H186-Y330 AromaticContact CE1-CD1 3.87Å; H186-Y330 AromaticContact CE1-CE1 3.73Å; H186-S358 PolarHBondContact NE2-O 3.5Å; H186-P360 WeakPolarHBondContact CD2-CA 3.05Å
187	P	98.8	Very high	98.1	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	153.7	-179.3	-19.5	32.8	0	0	0	113.3	V138 I185 V192 P193 Y303 Q323 R327	V138-P187 WeakPolarHBondContact O-CA 3.27Å; I185-P187 WeakPolarHBondContact O-CD 3.45Å; P187-V192 HydrophobicContact CB-CB 3.55Å; P187-V192 HydrophobicContact CB-CG1 3.73Å; P187-V192 HydrophobicContact CB-CG2 4.38Å; P187-V192 HydrophobicContact CG-CB 3.67Å; P187-V192 HydrophobicContact CG-CG1 3.38Å; P187-P193 VanDerWaalsContact CG-O 3.27Å; P187-P193 WeakPolarHBondContact CG-O 3.47Å; P187-Y303 WeakPolarHBondContact CG-OH 3.33Å; P187-Q323 PolarHBondContact O-NE2 3.23Å; P187-R327 PolarHBondContact O-NH2 2.84Å
188	L	98.4	Very high	98.3	Very high	47 Å²	47	11.6 Å²	11.6	25%	0.246	7%	0.068	C	C	.	.	S	Bend	trans	-70.3	-44.9	172.7	-176.5	64	0	0	0	111.5	V138 E140 R320 Q323	V138-L188 PolarHBondContact O-N 3.45Å; E140-L188 HydrophobicContact CB-CB 4.42Å; E140-L188 HydrophobicContact CB-CD1 4.44Å; E140-L188 WeakPolarHBondContact OE2-CD1 3.27Å; L188-R320 PolarHBondContact O-NH1 2.72Å; L188-Q323 PolarHBondContact O-NE2 2.72Å; L188-Q323 PolarHBondContact O-OE1 2.68Å
189	N	98.7	Very high	98.5	Very high	9 Å²	9	10.6 Å²	10.6	5%	0.048	6%	0.06	C	C	.	.	S	Bend	trans	-75.8	124	-177.2	-168.4	-37.9	0	0	0	111.5	Y191 V192 R310 R311 L313 Y315	N189-Y191 PolarHBondContact O-N 3.09Å; N189-Y191 VanDerWaalsContact O-N 3.09Å; N189-Y191 VanDerWaalsContact OD1-CD2 3.3Å; N189-Y191 WeakPolarHBondContact OD1-CD2 3.2Å; N189-Y191 PolarHBondContact OD1-N 2.91Å; N189-V192 HydrophobicContact CB-CG2 4.05Å; N189-V192 PolarHBondContact O-N 3.35Å; N189-R310 PolarHBondContact ND2-O 2.9Å; N189-R311 PolarHBondContact ND2-O 3.35Å; N189-L313 PolarHBondContact ND2-O 2.82Å; N189-Y315 HydrophobicContact CB-CE1 4.34Å
190	P	98.6	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-20.4	177.3	-27.4	36.6	0	0	0	115.5	V192 Y224 Y225 Y315 E319 R320 Q323	P190-V192 VanDerWaalsContact C-N 3.33Å; P190-Y224 WeakPolarHBondContact O-CB 3.49Å; P190-Y224 VanDerWaalsContact O-CD2 3.31Å; P190-Y224 WeakPolarHBondContact O-CD2 3.31Å; P190-Y225 HydrophobicContact CB-CD2 4.27Å; P190-Y225 HydrophobicContact CB-CE2 4Å; P190-Y315 HydrophobicContact CG-CD2 3.86Å; P190-Y315 HydrophobicContact CG-CE2 4.39Å; P190-Y315 HydrophobicContact CG-CG 4.02Å; P190-E319 HydrophobicContact CB-CB 4.05Å; P190-E319 HydrophobicContact CG-CB 3.98Å; P190-R320 HydrophobicContact CG-CB 4.5Å; P190-Q323 HydrophobicContact CB-CB 4.04Å; P190-Q323 HydrophobicContact CB-CG 4.44Å; P190-Q323 HydrophobicContact CG-CB 4.11Å
191	Y	98.8	Very high	98.5	Very high	25 Å²	25	13.1 Å²	13.1	10%	0.098	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-7.4	178	-60.3	-61.5	0	0	0	113.8	N189 Y225 F227 R310 L313 K314 E319 R376	N189-Y191 PolarHBondContact O-N 3.09Å; N189-Y191 VanDerWaalsContact O-N 3.09Å; N189-Y191 VanDerWaalsContact OD1-CD2 3.3Å; N189-Y191 WeakPolarHBondContact OD1-CD2 3.2Å; N189-Y191 PolarHBondContact OD1-N 2.91Å; Y191-Y225 AromaticContact CD1-CD2 3.67Å; Y191-Y225 HydrophobicContact CD1-CD2 3.67Å; Y191-Y225 HydrophobicContact CD1-CE2 4.45Å; Y191-Y225 AromaticContact CD1-CG 3.98Å; Y191-Y225 HydrophobicContact CD1-CG 3.98Å; Y191-Y225 HydrophobicContact CE1-CD1 4.49Å; Y191-Y225 AromaticContact CE1-CD2 3.6Å; Y191-Y225 HydrophobicContact CE1-CD2 3.6Å; Y191-Y225 HydrophobicContact CE1-CE2 4.03Å; Y191-Y225 AromaticContact CE1-CG 3.87Å; Y191-Y225 HydrophobicContact CE1-CG 3.87Å; Y191-F227 AromaticContact CD1-CE2 3.92Å; Y191-F227 HydrophobicContact CD1-CE2 3.92Å; Y191-F227 AromaticContact CD1-CZ 3.93Å; Y191-F227 HydrophobicContact CD1-CZ 3.93Å; Y191-F227 HydrophobicContact CG-CE2 4.45Å; Y191-R310 WeakPolarHBondContact O-CB 3.27Å; Y191-R310 WeakPolarHBondContact O-CG 3.43Å; Y191-L313 HydrophobicContact CD2-CB 3.54Å; Y191-L313 HydrophobicContact CD2-CD1 4.24Å; Y191-L313 HydrophobicContact CE2-CB 4.19Å; Y191-L313 HydrophobicContact CG-CB 4.17Å; Y191-L313 HydrophobicContact CG-CD1 4.04Å; Y191-K314 WeakPolarHBondContact CE2-O 3.07Å; Y191-E319 HydrophobicContact CE1-CG 4.47Å; Y191-E319 HydrophobicContact CE2-CG 4.49Å; Y191-E319 VanDerWaalsContact OH-CG 3.31Å; Y191-E319 WeakPolarHBondContact OH-CG 3.41Å; Y191-R376 PolarHBondContact OH-NH1 2.81Å
192	V	98.9	Very high	98.3	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-97.3	125.2	172.6	-172.3	0	0	0	0	108.3	P187 N189 P190 Y224 V307 R310 R311	P187-V192 HydrophobicContact CB-CB 3.55Å; P187-V192 HydrophobicContact CB-CG1 3.73Å; P187-V192 HydrophobicContact CB-CG2 4.38Å; P187-V192 HydrophobicContact CG-CB 3.67Å; P187-V192 HydrophobicContact CG-CG1 3.38Å; N189-V192 HydrophobicContact CB-CG2 4.05Å; N189-V192 PolarHBondContact O-N 3.35Å; P190-V192 VanDerWaalsContact C-N 3.33Å; V192-Y224 WeakPolarHBondContact O-CE2 3.45Å; V192-V307 HydrophobicContact CG1-CB 4.18Å; V192-V307 HydrophobicContact CG1-CG1 4.2Å; V192-V307 HydrophobicContact CG1-CG2 3.79Å; V192-R310 HydrophobicContact CG2-CB 3.74Å; V192-R311 HydrophobicContact CG2-CB 4.28Å
193	P	98.8	Very high	98.2	Very high	5 Å²	5	12.8 Å²	12.8	3%	0.032	6%	0.06	C	C	.	.	P	Polyproline II helix	trans	-68.5	151.1	179	26	-32.8	0	0	0	112.5	P187 L221 T222 P223 Y303 I306	P187-P193 VanDerWaalsContact CG-O 3.27Å; P187-P193 WeakPolarHBondContact CG-O 3.47Å; P193-L221 HydrophobicContact CB-CD1 3.73Å; P193-L221 HydrophobicContact CB-CD2 4.28Å; P193-L221 HydrophobicContact CB-CG 3.77Å; P193-L221 HydrophobicContact CG-CD1 3.58Å; P193-L221 HydrophobicContact CG-CD2 4.02Å; P193-L221 HydrophobicContact CG-CG 3.9Å; P193-T222 WeakPolarHBondContact CA-O 3.46Å; P193-P223 HydrophobicContact CB-CB 4.14Å; P193-Y303 HydrophobicContact CG-CE2 4.2Å; P193-Y303 WeakPolarHBondContact O-CE2 3.49Å; P193-Y303 PolarHBondContact O-OH 2.82Å; P193-I306 HydrophobicContact CG-CG2 3.83Å
194	T	98.9	Very high	97.9	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.006	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	139.8	159.4	-73.5	0	0	0	0	108.8	V184 I185 H186 T222 Y224 Y330	V184-T194 HydrophobicContact CG1-CG2 4.3Å; I185-T194 VanDerWaalsContact O-CA 3.24Å; I185-T194 WeakPolarHBondContact O-CA 3.36Å; I185-T194 WeakPolarHBondContact O-CG2 3.3Å; H186-T194 WeakPolarHBondContact ND1-CG2 3.3Å; H186-T194 PolarHBondContact ND1-OG1 3.1Å; T194-T222 PolarHBondContact N-O 2.74Å; T194-T222 PolarHBondContact O-N 2.77Å; T194-Y224 PolarHBondContact OG1-OH 3.4Å; T194-Y330 HydrophobicContact CG2-CD2 4.16Å; T194-Y330 HydrophobicContact CG2-CE2 3.7Å
195	T	98.7	Very high	97.5	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	149.9	167.2	-168.8	0	0	0	0	110.4	V184 I185 D220 Y303	V184-T195 WeakPolarHBondContact CA-O 3.38Å; I185-T195 HydrophobicContact CB-CG2 4.12Å; I185-T195 HydrophobicContact CD1-CG2 3.93Å; I185-T195 HydrophobicContact CG1-CG2 4.29Å; I185-T195 PolarHBondContact N-O 3.21Å; I185-T195 PolarHBondContact O-N 2.91Å; T195-D220 WeakPolarHBondContact CA-O 3.45Å; T195-D220 PolarHBondContact OG1-O 3.17Å; T195-Y303 HydrophobicContact CG2-CD1 3.53Å; T195-Y303 HydrophobicContact CG2-CD2 3.62Å; T195-Y303 HydrophobicContact CG2-CE1 3.5Å; T195-Y303 VanDerWaalsContact CG2-CE1 3.5Å; T195-Y303 HydrophobicContact CG2-CE2 3.58Å; T195-Y303 HydrophobicContact CG2-CG 3.6Å
196	H	98.5	Very high	97.1	Very high	34 Å²	34	16.7 Å²	16.7	16%	0.157	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	143.2	169.5	156.5	-93.9	0	0	0	109.1	S183 V184 A219 D220	S183-H196 VanDerWaalsContact O-CA 3.25Å; S183-H196 WeakPolarHBondContact O-CA 3.49Å; S183-H196 PolarHBondContact O-CD2 2.81Å; V184-H196 HydrophobicContact CG2-CB 4.27Å; H196-A219 CarbonylContact O-C 3.54Å; H196-A219 VanDerWaalsContact O-CA 3.28Å; H196-A219 WeakPolarHBondContact O-CA 3.34Å; H196-D220 WeakPolarHBondContact CB-OD1 3.39Å; H196-D220 IonicContact CE1-OD1 2.71Å; H196-D220 IonicContact CG-OD1 3.84Å; H196-D220 PolarHBondContact N-O 3Å; H196-D220 VanDerWaalsContact N-O 3.16Å; H196-D220 IonicContact ND1-OD1 3.81Å; H196-D220 PolarHBondContact ND1-OD1 2.81Å; H196-D220 PolarHBondContact O-N 3.04Å
197	F	98.6	Very high	96.4	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	153.9	164.5	68.4	-97.6	0	0	0	110.9	L98 L102 I181 S182 S183 F199 G218 A219 I299	L98-F197 HydrophobicContact CD2-CD2 4.48Å; L98-F197 HydrophobicContact CD2-CE2 3.71Å; L98-F197 HydrophobicContact CD2-CZ 4.06Å; L98-F197 HydrophobicContact CG-CE2 4.47Å; L98-F197 HydrophobicContact CG-CZ 4.4Å; L102-F197 HydrophobicContact CD2-CE1 3.47Å; L102-F197 VanDerWaalsContact CD2-CE1 3.47Å; L102-F197 HydrophobicContact CD2-CZ 3.57Å; I181-F197 HydrophobicContact CD1-CE2 4.14Å; I181-F197 HydrophobicContact CD1-CZ 4.47Å; I181-F197 HydrophobicContact CG1-CE2 4.07Å; I181-F197 HydrophobicContact CG2-CE2 4.24Å; S182-F197 CarbonylContact C-O 3.29Å; S182-F197 WeakPolarHBondContact CA-O 3.5Å; S183-F197 PolarHBondContact N-O 3.35Å; S183-F197 PolarHBondContact O-N 3.46Å; S183-F197 WeakPolarHBondContact OG-CE1 3.45Å; F197-F199 HydrophobicContact CB-CE2 4.37Å; F197-F199 AromaticContact CD2-CD2 3.97Å; F197-F199 HydrophobicContact CD2-CD2 3.97Å; F197-F199 AromaticContact CD2-CE2 3.84Å; F197-F199 HydrophobicContact CD2-CE2 3.84Å; F197-F199 HydrophobicContact CG-CE2 4.37Å; F197-G218 CarbonylContact C-O 3.51Å; F197-G218 WeakPolarHBondContact CA-O 3.46Å; F197-G218 WeakPolarHBondContact CB-O 3.29Å; F197-A219 HydrophobicContact CB-CB 3.83Å; F197-I299 HydrophobicContact CB-CD1 3.67Å; F197-I299 HydrophobicContact CB-CG1 4.46Å; F197-I299 HydrophobicContact CD1-CD1 4.05Å; F197-I299 HydrophobicContact CD1-CG1 4.19Å; F197-I299 HydrophobicContact CD1-CG2 3.51Å; F197-I299 HydrophobicContact CD2-CD1 4.48Å; F197-I299 HydrophobicContact CD2-CG1 4.4Å; F197-I299 HydrophobicContact CE1-CG2 3.43Å; F197-I299 VanDerWaalsContact CE1-CG2 3.43Å; F197-I299 HydrophobicContact CG-CD1 3.83Å; F197-I299 HydrophobicContact CG-CG1 4.11Å; F197-I299 HydrophobicContact CG-CG2 4.28Å; F197-I299 HydrophobicContact CZ-CG2 4.15Å
198	N	98	Very high	95.8	Very high	34 Å²	34	25 Å²	25	18%	0.182	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	138	170.4	173.7	-116.4	0	0	0	109.2	I181 R200 G217 G218	I181-N198 CarbonylContact O-C 3.59Å; I181-N198 VanDerWaalsContact O-CA 3.28Å; I181-N198 WeakPolarHBondContact O-CA 3.26Å; I181-N198 PolarHBondContact O-ND2 3.19Å; N198-R200 PolarHBondContact OD1-NH1 3.06Å; N198-G217 CarbonylContact O-C 3.52Å; N198-G217 VanDerWaalsContact O-C 3.29Å; N198-G217 WeakPolarHBondContact O-CA 3.31Å; N198-G218 PolarHBondContact N-O 3.02Å; N198-G218 PolarHBondContact O-N 3.06Å
199	F	98.6	Very high	95	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.2	166.3	-58.3	-70.7	0	0	0	108.1	M91 L98 G180 I181 F197 F277 V292 C295 A296 I299	M91-F199 HydrophobicContact CE-CB 4.03Å; M91-F199 WeakPolarHBondContact CE-O 3.39Å; L98-F199 HydrophobicContact CD2-CD2 4.39Å; L98-F199 HydrophobicContact CD2-CE2 4.49Å; G180-F199 CarbonylContact C-O 3.59Å; G180-F199 WeakPolarHBondContact CA-O 3.47Å; I181-F199 HydrophobicContact CG2-CB 4.15Å; I181-F199 HydrophobicContact CG2-CD2 4.22Å; I181-F199 PolarHBondContact N-O 3.13Å; I181-F199 PolarHBondContact O-N 3.11Å; F197-F199 HydrophobicContact CB-CE2 4.37Å; F197-F199 AromaticContact CD2-CD2 3.97Å; F197-F199 HydrophobicContact CD2-CD2 3.97Å; F197-F199 AromaticContact CD2-CE2 3.84Å; F197-F199 HydrophobicContact CD2-CE2 3.84Å; F197-F199 HydrophobicContact CG-CE2 4.37Å; F199-F277 HydrophobicContact CD1-CZ 4.12Å; F199-F277 HydrophobicContact CE1-CZ 4.2Å; F199-V292 HydrophobicContact CB-CG1 4.07Å; F199-V292 HydrophobicContact CD1-CG1 4.15Å; F199-V292 HydrophobicContact CG-CG1 4.34Å; F199-C295 HydrophobicContact CD1-CB 4.47Å; F199-C295 HydrophobicContact CE1-CB 3.52Å; F199-C295 HydrophobicContact CZ-CB 3.78Å; F199-A296 HydrophobicContact CD2-CB 4.06Å; F199-A296 HydrophobicContact CE2-CB 4.04Å; F199-I299 HydrophobicContact CE2-CD1 3.85Å; F199-I299 HydrophobicContact CE2-CG1 3.74Å; F199-I299 HydrophobicContact CZ-CD1 3.89Å; F199-I299 HydrophobicContact CZ-CG1 4.16Å
200	R	97.6	Very high	94.5	Very high	62 Å²	62	37.2 Å²	37.2	23%	0.234	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	145.7	-175.8	65	-176	178.7	-72.4	-4.3	111.1	C179 N198 Y215 G216 D278	C179-R200 CarbonylContact O-C 3.6Å; C179-R200 WeakPolarHBondContact O-CA 3.17Å; N198-R200 PolarHBondContact OD1-NH1 3.06Å; R200-Y215 VanDerWaalsContact O-CA 3.32Å; R200-Y215 WeakPolarHBondContact O-CA 3.38Å; R200-G216 WeakPolarHBondContact CG-O 3.45Å; R200-G216 PolarHBondContact N-O 3Å; R200-G216 PolarHBondContact O-N 2.75Å; R200-D278 IonicContact CZ-OD1 2.81Å; R200-D278 IonicContact NE-OD1 3.47Å; R200-D278 IonicContact NH2-OD1 2.8Å; R200-D278 PolarHBondContact NH2-OD1 3.22Å; R200-D278 IonicContact NH2-OD2 2.93Å; R200-D278 PolarHBondContact NH2-OD2 3.21Å
201	Y	97.8	Very high	94.1	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.016	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	139	167.6	175.4	-123.4	0	0	0	108.4	R88 F177 A178 C179 E203 W213 Y215 Q285	R88-Y201 HydrophobicContact CG-CE1 4.16Å; F177-Y201 AromaticContact CD1-CD1 3.98Å; F177-Y201 HydrophobicContact CD1-CD1 3.98Å; F177-Y201 HydrophobicContact CD1-CE1 4.06Å; F177-Y201 AromaticContact CE1-CD1 3.91Å; F177-Y201 HydrophobicContact CE1-CD1 3.91Å; F177-Y201 HydrophobicContact CE1-CE1 4.27Å; A178-Y201 CarbonylContact C-O 3.54Å; A178-Y201 VanDerWaalsContact CA-O 3.28Å; A178-Y201 WeakPolarHBondContact CA-O 3.47Å; C179-Y201 PolarHBondContact N-O 3.07Å; C179-Y201 PolarHBondContact O-N 3.3Å; Y201-E203 HydrophobicContact CE1-CB 4.29Å; Y201-E203 HydrophobicContact CE1-CG 3.96Å; Y201-E203 VanDerWaalsContact CE1-OE2 3.3Å; Y201-E203 WeakPolarHBondContact CE1-OE2 3.38Å; Y201-E203 PolarHBondContact OH-OE2 3.16Å; Y201-W213 HydrophobicContact CE2-CB 3.9Å; Y201-W213 HydrophobicContact CE2-CE3 4.49Å; Y201-Y215 HydrophobicContact CD2-CD1 4.06Å; Y201-Y215 HydrophobicContact CD2-CD2 4.17Å; Y201-Y215 AromaticContact CD2-CE1 3.63Å; Y201-Y215 HydrophobicContact CD2-CE1 3.63Å; Y201-Y215 AromaticContact CD2-CE2 3.77Å; Y201-Y215 HydrophobicContact CD2-CE2 3.77Å; Y201-Y215 HydrophobicContact CD2-CG 4.32Å; Y201-Y215 AromaticContact CD2-CZ 3.47Å; Y201-Y215 VanDerWaalsContact CD2-CZ 3.47Å; Y201-Y215 HydrophobicContact CE2-CE2 4.11Å; Y201-Y215 HydrophobicContact CG-CD1 4.46Å; Y201-Y215 AromaticContact CG-CE1 3.93Å; Y201-Y215 HydrophobicContact CG-CE1 3.93Å; Y201-Q285 VanDerWaalsContact CZ-NE2 3.34Å; Y201-Q285 PolarHBondContact OH-NE2 2.85Å
202	F	95.4	Very high	93.7	Very high	31 Å²	31	40.9 Å²	40.9	14%	0.136	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.1	174.6	-157.2	-83.6	0	0	0	109.6	L153 M161 F176 F177 A178 V204 W213 W214	L153-F202 HydrophobicContact CD2-CZ 4.06Å; M161-F202 HydrophobicContact CE-CD1 4.41Å; M161-F202 HydrophobicContact CE-CE1 3.5Å; M161-F202 HydrophobicContact CE-CE2 4.1Å; M161-F202 HydrophobicContact CE-CZ 3.34Å; M161-F202 HydrophobicContact SD-CE1 4.09Å; M161-F202 HydrophobicContact SD-CZ 4.37Å; F176-F202 HydrophobicContact CB-CE1 4Å; F176-F202 HydrophobicContact CB-CZ 3.87Å; F176-F202 HydrophobicContact CD2-CE1 4.42Å; F176-F202 AromaticContact CD2-CE2 3.8Å; F176-F202 HydrophobicContact CD2-CE2 3.8Å; F176-F202 AromaticContact CD2-CZ 3.55Å; F176-F202 HydrophobicContact CD2-CZ 3.55Å; F176-F202 HydrophobicContact CE2-CE2 4.33Å; F176-F202 HydrophobicContact CE2-CZ 4.38Å; F176-F202 AromaticContact CG-CZ 3.91Å; F176-F202 HydrophobicContact CG-CZ 3.91Å; F177-F202 CarbonylContact O-C 3.55Å; F177-F202 WeakPolarHBondContact O-CA 3.45Å; A178-F202 HydrophobicContact CB-CD2 3.6Å; A178-F202 HydrophobicContact CB-CE2 3.8Å; F202-V204 HydrophobicContact CD1-CG2 4.12Å; F202-V204 HydrophobicContact CE1-CG2 3.57Å; F202-W213 CarbonylContact O-C 3.59Å; F202-W213 WeakPolarHBondContact O-CA 3.48Å; F202-W214 HydrophobicContact CB-CD2 4.05Å; F202-W214 HydrophobicContact CB-CH2 4.39Å; F202-W214 HydrophobicContact CB-CZ2 3.84Å; F202-W214 HydrophobicContact CD1-CD2 4.49Å; F202-W214 AromaticContact CD1-CE2 3.95Å; F202-W214 HydrophobicContact CD1-CE3 4.39Å; F202-W214 AromaticContact CD1-CH2 3.14Å; F202-W214 HydrophobicContact CD1-CH2 3.14Å; F202-W214 AromaticContact CD1-CZ2 3.26Å; F202-W214 HydrophobicContact CD1-CZ2 3.26Å; F202-W214 AromaticContact CD1-CZ3 3.75Å; F202-W214 HydrophobicContact CD1-CZ3 3.75Å; F202-W214 HydrophobicContact CD2-CZ2 4.46Å; F202-W214 AromaticContact CE1-CH2 3.59Å; F202-W214 HydrophobicContact CE1-CH2 3.59Å; F202-W214 AromaticContact CE1-CZ2 3.89Å; F202-W214 HydrophobicContact CE1-CZ2 3.89Å; F202-W214 HydrophobicContact CE1-CZ3 4.42Å; F202-W214 AromaticContact CG-CE2 3.96Å; F202-W214 AromaticContact CG-CH2 3.97Å; F202-W214 HydrophobicContact CG-CH2 3.97Å; F202-W214 AromaticContact CG-CZ2 3.6Å; F202-W214 HydrophobicContact CG-CZ2 3.6Å; F202-W214 PolarHBondContact N-O 2.72Å; F202-W214 PolarHBondContact O-N 3.2Å
203	E	94.1	Very high	93.5	Very high	3 Å²	3	42.9 Å²	42.9	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	148.9	168.6	60.1	170.4	-99.6	0	0	111.5	R88 F176 F177 Y201 K211 C212 W213	R88-E203 WeakPolarHBondContact CG-OE2 3.28Å; R88-E203 IonicContact CZ-OE1 3.64Å; R88-E203 IonicContact CZ-OE2 3.61Å; R88-E203 IonicContact NE-OE1 2.72Å; R88-E203 PolarHBondContact NE-OE1 2.98Å; R88-E203 IonicContact NE-OE2 3.45Å; R88-E203 PolarHBondContact NE-OE2 3.02Å; R88-E203 IonicContact NH2-OE1 3.3Å; R88-E203 PolarHBondContact NH2-OE1 2.84Å; F176-E203 CarbonylContact C-O 3.55Å; F176-E203 WeakPolarHBondContact CA-O 3.36Å; F176-E203 WeakPolarHBondContact CB-O 3.29Å; F177-E203 HydrophobicContact CB-CG 3.73Å; F177-E203 HydrophobicContact CD1-CG 4.25Å; F177-E203 HydrophobicContact CG-CG 4.45Å; F177-E203 PolarHBondContact N-O 3.46Å; F177-E203 PolarHBondContact O-N 3.35Å; Y201-E203 HydrophobicContact CE1-CB 4.29Å; Y201-E203 HydrophobicContact CE1-CG 3.96Å; Y201-E203 VanDerWaalsContact CE1-OE2 3.3Å; Y201-E203 WeakPolarHBondContact CE1-OE2 3.38Å; Y201-E203 PolarHBondContact OH-OE2 3.16Å; E203-K211 WeakPolarHBondContact OE1-CD 3.46Å; E203-K211 WeakPolarHBondContact OE1-CE 3.25Å; E203-K211 IonicContact OE1-NZ 2.72Å; E203-K211 PolarHBondContact OE1-NZ 2.94Å; E203-K211 IonicContact OE2-NZ 3.51Å; E203-C212 CarbonylContact C-O 3.57Å; E203-C212 WeakPolarHBondContact CA-O 3.44Å; E203-W213 HydrophobicContact CB-CB 3.95Å
204	V	92.4	Very high	93.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	131.7	171.4	-171.8	0	0	0	0	108.5	L153 M161 I168 C174 K175 F176 F202 L206 K211 C212 W214	L153-V204 HydrophobicContact CD1-CG1 4.02Å; L153-V204 HydrophobicContact CD1-CG2 3.91Å; M161-V204 HydrophobicContact SD-CG2 4.43Å; I168-V204 HydrophobicContact CD1-CG2 4.38Å; C174-V204 HydrophobicContact CB-CG1 3.97Å; K175-V204 CarbonylContact O-C 3.54Å; K175-V204 WeakPolarHBondContact O-CA 3.35Å; F176-V204 HydrophobicContact CB-CG2 4.33Å; F202-V204 HydrophobicContact CD1-CG2 4.12Å; F202-V204 HydrophobicContact CE1-CG2 3.57Å; V204-L206 PolarHBondContact O-N 2.9Å; V204-K211 VanDerWaalsContact O-CA 3.23Å; V204-K211 WeakPolarHBondContact O-CA 3.38Å; V204-C212 VanDerWaalsContact CB-SG 3.6Å; V204-C212 PolarHBondContact N-O 2.88Å; V204-C212 PolarHBondContact O-N 2.74Å; V204-W214 HydrophobicContact CG2-CH2 4.35Å; V204-W214 HydrophobicContact CG2-CZ3 4.41Å
205	D	91.3	Very high	93.3	Very high	62 Å²	62	43.1 Å²	43.1	33%	0.332	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	122.3	172.2	-169.1	-14.2	0	0	0	109.7	K175 G207	K175-D205 HydrophobicContact CB-CB 4.07Å; K175-D205 PolarHBondContact O-N 2.91Å; D205-G207 WeakPolarHBondContact OD1-CA 3.31Å; D205-G207 PolarHBondContact OD1-N 2.78Å
206	L	88.9	Confident	93.2	Very high	28 Å²	28	43 Å²	43	15%	0.147	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	2.4	177.8	-57.2	177.6	0	0	0	112.1	E167 I168 V204 R210 C212	E167-L206 HydrophobicContact CB-CD1 4.12Å; I168-L206 HydrophobicContact CG1-CD2 4.03Å; V204-L206 PolarHBondContact O-N 2.9Å; L206-R210 HydrophobicContact CB-CB 4.25Å; L206-R210 PolarHBondContact N-O 2.87Å; L206-C212 HydrophobicContact CD1-CB 4.14Å
207	G	85.3	Confident	93.2	Very high	29 Å²	29	41.4 Å²	41.4	30%	0.299	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.3	171.2	-171.1	0	0	0	0	0	113.4	D205 N209 R210	D205-G207 WeakPolarHBondContact OD1-CA 3.31Å; D205-G207 PolarHBondContact OD1-N 2.78Å; G207-N209 VanDerWaalsContact C-N 3.28Å; G207-N209 PolarHBondContact O-N 3.19Å; G207-R210 WeakPolarHBondContact O-CB 3.29Å; G207-R210 PolarHBondContact O-N 3.15Å
208	N	84.8	Confident	93.2	Very high	148 Å²	148	41.6 Å²	41.6	79%	0.791	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	39.5	178.6	-58.1	-24.8	0	0	0	113.8	R210	N208-R210 PolarHBondContact O-N 2.68Å
209	N	82.7	Confident	93.2	Very high	173 Å²	173	40 Å²	40	93%	0.925	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.6	19.2	-175.3	-61.1	-23.6	0	0	0	114.8	G207	G207-N209 VanDerWaalsContact C-N 3.28Å; G207-N209 PolarHBondContact O-N 3.19Å
210	R	87.6	Confident	93.2	Very high	138 Å²	138	40 Å²	40	52%	0.521	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	148.2	174.1	-59.6	-168.4	-57.5	155.9	6.7	110.9	E167 L206 G207 N208	E167-R210 IonicContact OE2-NH1 4Å; L206-R210 HydrophobicContact CB-CB 4.25Å; L206-R210 PolarHBondContact N-O 2.87Å; G207-R210 WeakPolarHBondContact O-CB 3.29Å; G207-R210 PolarHBondContact O-N 3.15Å; N208-R210 PolarHBondContact O-N 2.68Å
211	K	89.9	Confident	93.3	Very high	91 Å²	91	37.2 Å²	37.2	40%	0.396	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	144.7	177.9	-57.2	178	178	-169.6	0	109.3	E203 V204	E203-K211 WeakPolarHBondContact OE1-CD 3.46Å; E203-K211 WeakPolarHBondContact OE1-CE 3.25Å; E203-K211 IonicContact OE1-NZ 2.72Å; E203-K211 PolarHBondContact OE1-NZ 2.94Å; E203-K211 IonicContact OE2-NZ 3.51Å; V204-K211 VanDerWaalsContact O-CA 3.23Å; V204-K211 WeakPolarHBondContact O-CA 3.38Å
212	C	90.9	Very high	93.3	Very high	12 Å²	12	37.2 Å²	37.2	8%	0.081	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	147.1	155.9	65.7	0	0	0	0	108.6	E203 V204 L206	E203-C212 CarbonylContact C-O 3.57Å; E203-C212 WeakPolarHBondContact CA-O 3.44Å; V204-C212 VanDerWaalsContact CB-SG 3.6Å; V204-C212 PolarHBondContact N-O 2.88Å; V204-C212 PolarHBondContact O-N 2.74Å; L206-C212 HydrophobicContact CD1-CB 4.14Å
213	W	93.9	Very high	93.5	Very high	42 Å²	42	36.3 Å²	36.3	16%	0.159	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	151.6	-175.3	62.4	-93.4	0	0	0	110.1	Y201 F202 E203 Y215 E281 D282 Q285 V288	Y201-W213 HydrophobicContact CE2-CB 3.9Å; Y201-W213 HydrophobicContact CE2-CE3 4.49Å; F202-W213 CarbonylContact O-C 3.59Å; F202-W213 WeakPolarHBondContact O-CA 3.48Å; E203-W213 HydrophobicContact CB-CB 3.95Å; W213-Y215 HydrophobicContact CE3-CD2 4.21Å; W213-Y215 HydrophobicContact CE3-CE2 4.17Å; W213-Y215 HydrophobicContact CZ3-CD2 4.05Å; W213-Y215 HydrophobicContact CZ3-CE2 4.12Å; W213-E281 HydrophobicContact CE3-CB 4.44Å; W213-E281 HydrophobicContact CH2-CB 4.25Å; W213-E281 HydrophobicContact CZ3-CB 4.08Å; W213-E281 VanDerWaalsContact O-OE2 3.12Å; W213-D282 VanDerWaalsContact CH2-O 3.22Å; W213-D282 WeakPolarHBondContact CH2-O 3.31Å; W213-D282 WeakPolarHBondContact CZ2-O 3.49Å; W213-Q285 HydrophobicContact CD2-CB 4.42Å; W213-Q285 HydrophobicContact CD2-CG 3.89Å; W213-Q285 HydrophobicContact CE3-CB 4.49Å; W213-Q285 HydrophobicContact CE3-CG 3.77Å; W213-Q285 VanDerWaalsContact CH2-CA 3.4Å; W213-Q285 HydrophobicContact CH2-CB 3.62Å; W213-Q285 HydrophobicContact CH2-CG 3.75Å; W213-Q285 HydrophobicContact CZ2-CB 3.46Å; W213-Q285 VanDerWaalsContact CZ2-CB 3.46Å; W213-Q285 HydrophobicContact CZ2-CG 3.82Å; W213-Q285 HydrophobicContact CZ3-CB 4.14Å; W213-Q285 HydrophobicContact CZ3-CG 3.72Å; W213-V288 HydrophobicContact CH2-CB 4.44Å; W213-V288 HydrophobicContact CH2-CG2 4.07Å; W213-V288 HydrophobicContact CZ3-CB 4.23Å; W213-V288 HydrophobicContact CZ3-CG1 4.44Å; W213-V288 HydrophobicContact CZ3-CG2 4.24Å
214	W	95.9	Very high	93.7	Very high	11 Å²	11	36.3 Å²	36.3	4%	0.042	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	163.2	174.5	61.2	98.5	0	0	0	110.4	M161 H165 F202 V204 D279 L280 E281	M161-W214 HydrophobicContact CE-CH2 4.27Å; M161-W214 HydrophobicContact CE-CZ2 4.31Å; M161-W214 HydrophobicContact SD-CH2 4.2Å; H165-W214 AromaticContact CD2-CZ3 3.94Å; H165-W214 AromaticContact CE1-CE3 3.68Å; H165-W214 AromaticContact CE1-CZ3 3.99Å; H165-W214 AromaticContact NE2-CD2 3.96Å; H165-W214 AromaticContact NE2-CE3 3.66Å; H165-W214 AromaticContact NE2-CH2 3.99Å; H165-W214 AromaticContact NE2-CZ3 3.69Å; F202-W214 HydrophobicContact CB-CD2 4.05Å; F202-W214 HydrophobicContact CB-CH2 4.39Å; F202-W214 HydrophobicContact CB-CZ2 3.84Å; F202-W214 HydrophobicContact CD1-CD2 4.49Å; F202-W214 AromaticContact CD1-CE2 3.95Å; F202-W214 HydrophobicContact CD1-CE3 4.39Å; F202-W214 AromaticContact CD1-CH2 3.14Å; F202-W214 HydrophobicContact CD1-CH2 3.14Å; F202-W214 AromaticContact CD1-CZ2 3.26Å; F202-W214 HydrophobicContact CD1-CZ2 3.26Å; F202-W214 AromaticContact CD1-CZ3 3.75Å; F202-W214 HydrophobicContact CD1-CZ3 3.75Å; F202-W214 HydrophobicContact CD2-CZ2 4.46Å; F202-W214 AromaticContact CE1-CH2 3.59Å; F202-W214 HydrophobicContact CE1-CH2 3.59Å; F202-W214 AromaticContact CE1-CZ2 3.89Å; F202-W214 HydrophobicContact CE1-CZ2 3.89Å; F202-W214 HydrophobicContact CE1-CZ3 4.42Å; F202-W214 AromaticContact CG-CE2 3.96Å; F202-W214 AromaticContact CG-CH2 3.97Å; F202-W214 HydrophobicContact CG-CH2 3.97Å; F202-W214 AromaticContact CG-CZ2 3.6Å; F202-W214 HydrophobicContact CG-CZ2 3.6Å; F202-W214 PolarHBondContact N-O 2.72Å; F202-W214 PolarHBondContact O-N 3.2Å; V204-W214 HydrophobicContact CG2-CH2 4.35Å; V204-W214 HydrophobicContact CG2-CZ3 4.41Å; W214-D279 PolarHBondContact NE1-OD1 3.44Å; W214-D279 VanDerWaalsContact NE1-OD1 3.09Å; W214-L280 WeakPolarHBondContact CA-O 3.26Å; W214-E281 HydrophobicContact CB-CB 4.31Å
215	Y	98	Very high	94	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	151.5	168	-70.3	-93.2	0	0	0	110.4	Y87 M91 R200 Y201 W213 D279 L280 Q285 V288 F289 V292	Y87-Y215 WeakPolarHBondContact CD1-OH 3.49Å; M91-Y215 HydrophobicContact SD-CD1 4.42Å; M91-Y215 HydrophobicContact SD-CE1 3.92Å; R200-Y215 VanDerWaalsContact O-CA 3.32Å; R200-Y215 WeakPolarHBondContact O-CA 3.38Å; Y201-Y215 HydrophobicContact CD2-CD1 4.06Å; Y201-Y215 HydrophobicContact CD2-CD2 4.17Å; Y201-Y215 AromaticContact CD2-CE1 3.63Å; Y201-Y215 HydrophobicContact CD2-CE1 3.63Å; Y201-Y215 AromaticContact CD2-CE2 3.77Å; Y201-Y215 HydrophobicContact CD2-CE2 3.77Å; Y201-Y215 HydrophobicContact CD2-CG 4.32Å; Y201-Y215 AromaticContact CD2-CZ 3.47Å; Y201-Y215 VanDerWaalsContact CD2-CZ 3.47Å; Y201-Y215 HydrophobicContact CE2-CE2 4.11Å; Y201-Y215 HydrophobicContact CG-CD1 4.46Å; Y201-Y215 AromaticContact CG-CE1 3.93Å; Y201-Y215 HydrophobicContact CG-CE1 3.93Å; W213-Y215 HydrophobicContact CE3-CD2 4.21Å; W213-Y215 HydrophobicContact CE3-CE2 4.17Å; W213-Y215 HydrophobicContact CZ3-CD2 4.05Å; W213-Y215 HydrophobicContact CZ3-CE2 4.12Å; Y215-D279 PolarHBondContact O-N 3.36Å; Y215-L280 PolarHBondContact N-O 3.47Å; Y215-L280 WeakPolarHBondContact O-CB 3.21Å; Y215-L280 PolarHBondContact O-N 3.46Å; Y215-Q285 HydrophobicContact CE2-CG 4.16Å; Y215-V288 HydrophobicContact CD2-CB 4.16Å; Y215-V288 HydrophobicContact CD2-CG1 3.49Å; Y215-V288 VanDerWaalsContact CD2-CG1 3.49Å; Y215-V288 HydrophobicContact CE2-CB 4.47Å; Y215-V288 HydrophobicContact CE2-CG1 4.25Å; Y215-V288 HydrophobicContact CG-CG1 4.1Å; Y215-F289 HydrophobicContact CE1-CD2 4.08Å; Y215-F289 HydrophobicContact CE2-CB 4.37Å; Y215-F289 AromaticContact CZ-CD2 3.96Å; Y215-F289 WeakPolarHBondContact OH-CD2 3.19Å; Y215-V292 HydrophobicContact CD1-CB 4.32Å; Y215-V292 HydrophobicContact CD1-CG1 4.27Å; Y215-V292 HydrophobicContact CD1-CG2 3.79Å; Y215-V292 HydrophobicContact CG-CG2 3.82Å
216	G	97.4	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.8	167.7	0	0	0	0	0	109.5	R200 F277	R200-G216 WeakPolarHBondContact CG-O 3.45Å; R200-G216 PolarHBondContact N-O 3Å; R200-G216 PolarHBondContact O-N 2.75Å; G216-F277 CarbonylContact C-O 3.53Å; G216-F277 WeakPolarHBondContact CA-O 3.21Å
217	G	97.9	Very high	94.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.01	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-169.7	176.8	0	0	0	0	0	114	N198 F277	N198-G217 CarbonylContact O-C 3.52Å; N198-G217 VanDerWaalsContact O-C 3.29Å; N198-G217 WeakPolarHBondContact O-CA 3.31Å; G217-F277 PolarHBondContact N-O 3.21Å; G217-F277 PolarHBondContact O-N 3.01Å
218	G	98.1	Very high	95.4	Very high	4 Å²	4	39.7 Å²	39.7	4%	0.041	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	158.8	169	-176.7	0	0	0	0	0	112.2	F197 N198 I275	F197-G218 CarbonylContact C-O 3.51Å; F197-G218 WeakPolarHBondContact CA-O 3.46Å; F197-G218 WeakPolarHBondContact CB-O 3.29Å; N198-G218 PolarHBondContact N-O 3.02Å; N198-G218 PolarHBondContact O-N 3.06Å; G218-I275 CarbonylContact C-O 3.6Å; G218-I275 WeakPolarHBondContact CA-O 3.3Å
219	A	98.8	Very high	96	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	138.6	173.2	0	0	0	0	0	108	H196 F197 F234 L238 G274 I275 I299	H196-A219 CarbonylContact O-C 3.54Å; H196-A219 VanDerWaalsContact O-CA 3.28Å; H196-A219 WeakPolarHBondContact O-CA 3.34Å; F197-A219 HydrophobicContact CB-CB 3.83Å; A219-F234 HydrophobicContact CB-CZ 4.18Å; A219-L238 HydrophobicContact CB-CD1 4.46Å; A219-L238 HydrophobicContact CB-CD2 4.17Å; A219-G274 CarbonylContact O-C 3.58Å; A219-G274 WeakPolarHBondContact O-CA 3.26Å; A219-I275 PolarHBondContact N-O 3.39Å; A219-I275 PolarHBondContact O-N 3.31Å; A219-I299 HydrophobicContact CB-CD1 3.55Å
220	D	98.7	Very high	96.8	Very high	2 Å²	2	29.2 Å²	29.2	1%	0.011	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157	178.4	71.9	-80.9	0	0	0	112.3	T195 H196 F261 R270 G273	T195-D220 WeakPolarHBondContact CA-O 3.45Å; T195-D220 PolarHBondContact OG1-O 3.17Å; H196-D220 WeakPolarHBondContact CB-OD1 3.39Å; H196-D220 IonicContact CE1-OD1 2.71Å; H196-D220 IonicContact CG-OD1 3.84Å; H196-D220 PolarHBondContact N-O 3Å; H196-D220 VanDerWaalsContact N-O 3.16Å; H196-D220 IonicContact ND1-OD1 3.81Å; H196-D220 PolarHBondContact ND1-OD1 2.81Å; H196-D220 PolarHBondContact O-N 3.04Å; D220-F261 HydrophobicContact CB-CD2 4.38Å; D220-F261 HydrophobicContact CB-CE2 4.23Å; D220-R270 IonicContact OD1-NH2 3.12Å; D220-R270 PolarHBondContact OD1-NH2 3.19Å; D220-R270 IonicContact OD2-CZ 3.11Å; D220-R270 IonicContact OD2-NE 2.66Å; D220-R270 IonicContact OD2-NH2 3.27Å; D220-R270 PolarHBondContact OD2-NH2 3.27Å; D220-G273 WeakPolarHBondContact CA-O 3.12Å
221	L	98.8	Very high	97.3	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.6	-179.1	-161.1	71.2	0	0	0	110.6	P193 P223 F234 G271 I272 G273 Y303 I306	P193-L221 HydrophobicContact CB-CD1 3.73Å; P193-L221 HydrophobicContact CB-CD2 4.28Å; P193-L221 HydrophobicContact CB-CG 3.77Å; P193-L221 HydrophobicContact CG-CD1 3.58Å; P193-L221 HydrophobicContact CG-CD2 4.02Å; P193-L221 HydrophobicContact CG-CG 3.9Å; L221-P223 WeakPolarHBondContact O-CD 3.49Å; L221-F234 HydrophobicContact CB-CD1 3.85Å; L221-F234 HydrophobicContact CB-CD2 4.3Å; L221-F234 HydrophobicContact CB-CE1 3.83Å; L221-F234 HydrophobicContact CB-CE2 4.3Å; L221-F234 HydrophobicContact CB-CG 4.09Å; L221-F234 HydrophobicContact CB-CZ 4.07Å; L221-F234 HydrophobicContact CD1-CD2 4.04Å; L221-F234 HydrophobicContact CD1-CE2 4.12Å; L221-F234 HydrophobicContact CD2-CB 3.95Å; L221-F234 HydrophobicContact CD2-CD1 4.46Å; L221-F234 HydrophobicContact CD2-CD2 4.28Å; L221-F234 HydrophobicContact CD2-CG 3.99Å; L221-F234 HydrophobicContact CG-CD2 4.44Å; L221-F234 HydrophobicContact CG-CG 4.43Å; L221-G271 CarbonylContact O-C 3.49Å; L221-G271 WeakPolarHBondContact O-CA 3.09Å; L221-I272 HydrophobicContact CB-CD1 4.13Å; L221-I272 HydrophobicContact CB-CG1 3.92Å; L221-I272 HydrophobicContact CD2-CD1 3.92Å; L221-I272 HydrophobicContact CD2-CG1 4.49Å; L221-I272 HydrophobicContact CG-CD1 4.49Å; L221-I272 VanDerWaalsContact O-CG1 3.27Å; L221-I272 WeakPolarHBondContact O-CG1 3.36Å; L221-I272 PolarHBondContact O-N 3.5Å; L221-G273 PolarHBondContact N-O 2.81Å; L221-G273 VanDerWaalsContact N-O 3.09Å; L221-Y303 HydrophobicContact CD1-CD2 3.87Å; L221-Y303 HydrophobicContact CD1-CE2 4.07Å; L221-I306 HydrophobicContact CD2-CD1 4.06Å
222	T	98.8	Very high	97.8	Very high	4 Å²	4	23.3 Å²	23.3	3%	0.025	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	87.1	-180	-60.7	0	0	0	0	109.8	P193 T194 R270 Y330	P193-T222 WeakPolarHBondContact CA-O 3.46Å; T194-T222 PolarHBondContact N-O 2.74Å; T194-T222 PolarHBondContact O-N 2.77Å; T222-R270 VanDerWaalsContact CG2-O 3.27Å; T222-R270 WeakPolarHBondContact CG2-O 3.26Å; T222-Y330 HydrophobicContact CG2-CD2 4.32Å
223	P	98.8	Very high	98.1	Very high	12 Å²	12	25 Å²	25	8%	0.078	12%	0.12	C	C	.	.			trans	-73.6	154.1	173.3	29.4	-33	0	0	0	112.3	P193 L221 Y225 I272 L380	P193-P223 HydrophobicContact CB-CB 4.14Å; L221-P223 WeakPolarHBondContact O-CD 3.49Å; P223-Y225 WeakPolarHBondContact CB-O 3.49Å; P223-I272 HydrophobicContact CG-CG1 4.36Å; P223-I272 HydrophobicContact CG-CG2 3.6Å; P223-L380 HydrophobicContact CG-CD1 3.93Å; P223-L380 VanDerWaalsContact O-CD2 3.3Å; P223-L380 WeakPolarHBondContact O-CD2 3.37Å
224	Y	98.6	Very high	98.4	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.012	11%	0.112	C	C	.	.	S	Bend	trans	-98.8	-29.1	168.8	-46.9	-69.9	0	0	0	111.3	P190 V192 T194 W322 Q323 R326 R327 L380	P190-Y224 WeakPolarHBondContact O-CB 3.49Å; P190-Y224 VanDerWaalsContact O-CD2 3.31Å; P190-Y224 WeakPolarHBondContact O-CD2 3.31Å; V192-Y224 WeakPolarHBondContact O-CE2 3.45Å; T194-Y224 PolarHBondContact OG1-OH 3.4Å; Y224-W322 PolarHBondContact O-NE1 3.26Å; Y224-Q323 HydrophobicContact CD1-CB 4.41Å; Y224-Q323 HydrophobicContact CD1-CG 3.88Å; Y224-Q323 HydrophobicContact CD2-CG 3.7Å; Y224-Q323 HydrophobicContact CE1-CG 3.81Å; Y224-Q323 HydrophobicContact CE2-CG 3.61Å; Y224-Q323 HydrophobicContact CG-CB 4.28Å; Y224-Q323 HydrophobicContact CG-CG 3.79Å; Y224-R326 HydrophobicContact CD1-CB 3.63Å; Y224-R326 HydrophobicContact CD1-CG 4.33Å; Y224-R326 HydrophobicContact CE1-CB 4.13Å; Y224-R327 HydrophobicContact CE1-CG 3.77Å; Y224-R327 WeakPolarHBondContact OH-CG 3.26Å; Y224-R327 PolarHBondContact OH-NE 2.81Å; Y224-L380 WeakPolarHBondContact O-CD2 3.39Å
225	Y	98.6	Very high	98.5	Very high	9 Å²	9	22.6 Å²	22.6	4%	0.035	11%	0.11	C	C	.	.	S	Bend	trans	-125.3	135.4	169.9	-72.1	-76.6	0	0	0	108.8	P190 Y191 P223 F227 E319 W322 R376 N377	P190-Y225 HydrophobicContact CB-CD2 4.27Å; P190-Y225 HydrophobicContact CB-CE2 4Å; Y191-Y225 AromaticContact CD1-CD2 3.67Å; Y191-Y225 HydrophobicContact CD1-CD2 3.67Å; Y191-Y225 HydrophobicContact CD1-CE2 4.45Å; Y191-Y225 AromaticContact CD1-CG 3.98Å; Y191-Y225 HydrophobicContact CD1-CG 3.98Å; Y191-Y225 HydrophobicContact CE1-CD1 4.49Å; Y191-Y225 AromaticContact CE1-CD2 3.6Å; Y191-Y225 HydrophobicContact CE1-CD2 3.6Å; Y191-Y225 HydrophobicContact CE1-CE2 4.03Å; Y191-Y225 AromaticContact CE1-CG 3.87Å; Y191-Y225 HydrophobicContact CE1-CG 3.87Å; P223-Y225 WeakPolarHBondContact CB-O 3.49Å; Y225-F227 PolarHBondContact O-N 2.97Å; Y225-E319 HydrophobicContact CE2-CB 3.89Å; Y225-E319 HydrophobicContact CE2-CG 3.8Å; Y225-E319 VanDerWaalsContact OH-CA 3.32Å; Y225-E319 WeakPolarHBondContact OH-CA 3.26Å; Y225-E319 WeakPolarHBondContact OH-CG 3.36Å; Y225-W322 AromaticContact CE1-CD1 3.99Å; Y225-W322 AromaticContact CE2-CD1 3.8Å; Y225-W322 AromaticContact CZ-CD1 3.52Å; Y225-R376 HydrophobicContact CD1-CB 3.79Å; Y225-R376 HydrophobicContact CE1-CB 3.89Å; Y225-N377 WeakPolarHBondContact CE1-OD1 3.47Å
226	L	98.4	Very high	98.5	Very high	36 Å²	36	26.1 Å²	26.1	19%	0.188	13%	0.127	C	C	.	.			trans	-79.5	118.5	-177.3	178.5	61.4	0	0	0	111	N228 L380 V383 W390	L226-N228 WeakPolarHBondContact CD2-OD1 3.28Å; L226-L380 HydrophobicContact CB-CB 4.26Å; L226-L380 HydrophobicContact CB-CD1 4.38Å; L226-V383 HydrophobicContact CD2-CB 4.5Å; L226-V383 HydrophobicContact CD2-CG2 3.73Å; L226-W390 HydrophobicContact CD1-CH2 3.63Å; L226-W390 HydrophobicContact CD1-CZ2 4.42Å; L226-W390 HydrophobicContact CD1-CZ3 4.33Å
227	F	98.5	Very high	98.6	Very high	49 Å²	49	28.4 Å²	28.4	22%	0.215	14%	0.138	C	C	.	.			trans	-115.2	107.3	163.6	-66.3	-77.7	0	0	0	107.8	Y191 Y225 E229 D230 A231 R310 L313	Y191-F227 AromaticContact CD1-CE2 3.92Å; Y191-F227 HydrophobicContact CD1-CE2 3.92Å; Y191-F227 AromaticContact CD1-CZ 3.93Å; Y191-F227 HydrophobicContact CD1-CZ 3.93Å; Y191-F227 HydrophobicContact CG-CE2 4.45Å; Y225-F227 PolarHBondContact O-N 2.97Å; F227-E229 PolarHBondContact O-N 3.35Å; F227-D230 HydrophobicContact CB-CB 4.03Å; F227-D230 WeakPolarHBondContact CB-OD2 3.35Å; F227-D230 PolarHBondContact O-N 2.88Å; F227-A231 PolarHBondContact O-N 3.48Å; F227-A231 VanDerWaalsContact O-N 3.11Å; F227-R310 VanDerWaalsContact CD1-CZ 3.48Å; F227-L313 HydrophobicContact CZ-CD1 4.35Å
228	N	98.2	Very high	98.7	Very high	97 Å²	97	28.4 Å²	28.4	52%	0.519	14%	0.137	S	C	.	.	H	α-helix	trans	-58.2	-33.7	-175.8	-73.4	-21	0	0	0	112	L226 D230 A231 K232	L226-N228 WeakPolarHBondContact CD2-OD1 3.28Å; N228-D230 VanDerWaalsContact C-N 3.35Å; N228-A231 PolarHBondContact O-N 2.84Å; N228-K232 VanDerWaalsContact O-CB 3.31Å; N228-K232 WeakPolarHBondContact O-CB 3.33Å; N228-K232 PolarHBondContact O-N 3.43Å
229	E	98.5	Very high	98.7	Very high	92 Å²	92	30.8 Å²	30.8	43%	0.43	15%	0.146	S	C	.	.	H	α-helix	trans	-71.3	-28.7	178.7	71.2	-84	-155.4	0	0	113.2	F227 H233 K309 R310	F227-E229 PolarHBondContact O-N 3.35Å; E229-H233 VanDerWaalsContact O-CB 3.26Å; E229-H233 WeakPolarHBondContact O-CB 3.32Å; E229-H233 PolarHBondContact O-N 3.47Å; E229-K309 IonicContact OE1-NZ 3.77Å; E229-K309 PolarHBondContact OE1-NZ 3.37Å; E229-R310 VanDerWaalsContact CD-NH2 3.26Å; E229-R310 IonicContact OE1-CZ 2.87Å; E229-R310 IonicContact OE1-NH1 2.83Å; E229-R310 IonicContact OE1-NH2 3.9Å; E229-R310 PolarHBondContact OE1-NH2 3.43Å
230	D	98.8	Very high	98.7	Very high	9 Å²	9	35.4 Å²	35.4	5%	0.048	17%	0.17	C	C	.	.	H	α-helix	trans	-76.7	-39.3	175.3	-63.2	-7	0	0	0	110.4	F227 N228 F234 I306 K309 R310	F227-D230 HydrophobicContact CB-CB 4.03Å; F227-D230 WeakPolarHBondContact CB-OD2 3.35Å; F227-D230 PolarHBondContact O-N 2.88Å; N228-D230 VanDerWaalsContact C-N 3.35Å; D230-F234 WeakPolarHBondContact O-CB 3.41Å; D230-F234 PolarHBondContact O-N 2.94Å; D230-I306 HydrophobicContact CB-CD1 4.05Å; D230-I306 HydrophobicContact CB-CG1 4.08Å; D230-I306 HydrophobicContact CB-CG2 3.97Å; D230-I306 WeakPolarHBondContact O-CD1 3.27Å; D230-K309 IonicContact OD1-NZ 2.61Å; D230-R310 IonicContact OD1-CZ 3.54Å; D230-R310 IonicContact OD1-NE 3.95Å; D230-R310 PolarHBondContact OD1-NE 2.99Å; D230-R310 IonicContact OD1-NH2 2.82Å; D230-R310 PolarHBondContact OD1-NH2 3.14Å; D230-R310 IonicContact OD2-CZ 3.78Å; D230-R310 VanDerWaalsContact OD2-CZ 3.3Å; D230-R310 IonicContact OD2-NE 3.75Å; D230-R310 PolarHBondContact OD2-NE 3.48Å; D230-R310 IonicContact OD2-NH2 2.83Å; D230-R310 PolarHBondContact OD2-NH2 2.79Å; D230-R310 VanDerWaalsContact OD2-NH2 3.09Å
231	A	98.7	Very high	98.7	Very high	2 Å²	2	35.4 Å²	35.4	2%	0.017	17%	0.171	C	C	.	.	H	α-helix	trans	-59.8	-51.4	172.9	0	0	0	0	0	110.8	F227 N228 F234 H235 I272 W390	F227-A231 PolarHBondContact O-N 3.48Å; F227-A231 VanDerWaalsContact O-N 3.11Å; N228-A231 PolarHBondContact O-N 2.84Å; A231-F234 PolarHBondContact O-N 3.49Å; A231-H235 PolarHBondContact O-CD2 3.11Å; A231-H235 PolarHBondContact O-N 3.35Å; A231-I272 HydrophobicContact CB-CD1 3.33Å; A231-W390 HydrophobicContact CB-CD2 3.61Å; A231-W390 HydrophobicContact CB-CE3 3.39Å; A231-W390 HydrophobicContact CB-CG 4.39Å; A231-W390 HydrophobicContact CB-CH2 3.73Å; A231-W390 HydrophobicContact CB-CZ2 3.89Å; A231-W390 HydrophobicContact CB-CZ3 3.47Å; A231-W390 VanDerWaalsContact CB-CZ3 3.47Å
232	K	98.7	Very high	98.7	Very high	102 Å²	102	35.3 Å²	35.3	44%	0.443	17%	0.17	S	C	.	.	H	α-helix	trans	-57.8	-51.3	176.7	-178.9	168.9	172.4	171.3	0	111.6	N228 F234 H235 E236 V391	N228-K232 VanDerWaalsContact O-CB 3.31Å; N228-K232 WeakPolarHBondContact O-CB 3.33Å; N228-K232 PolarHBondContact O-N 3.43Å; K232-F234 VanDerWaalsContact C-N 3.34Å; K232-F234 PolarHBondContact O-N 3.47Å; K232-H235 PolarHBondContact O-N 2.82Å; K232-E236 WeakPolarHBondContact CE-OE1 3.28Å; K232-E236 HydrophobicContact CG-CG 4.08Å; K232-E236 IonicContact NZ-OE1 3.2Å; K232-E236 WeakPolarHBondContact O-CB 3.19Å; K232-E236 VanDerWaalsContact O-CG 3.3Å; K232-E236 WeakPolarHBondContact O-CG 3.4Å; K232-E236 PolarHBondContact O-N 3.36Å; K232-V391 HydrophobicContact CG-CG1 4.27Å
233	H	98.9	Very high	98.7	Very high	49 Å²	49	37.9 Å²	37.9	23%	0.227	18%	0.184	C	C	.	.	H	α-helix	trans	-54.9	-47.7	178.4	175.1	80.6	0	0	0	112.5	E229 H235 E236 Q237 P301 A302	E229-H233 VanDerWaalsContact O-CB 3.26Å; E229-H233 WeakPolarHBondContact O-CB 3.32Å; E229-H233 PolarHBondContact O-N 3.47Å; H233-H235 PolarHBondContact O-N 2.84Å; H233-E236 PolarHBondContact O-N 3.05Å; H233-Q237 WeakPolarHBondContact O-CG 3.37Å; H233-Q237 PolarHBondContact O-N 3.08Å; H233-Q237 VanDerWaalsContact O-N 3.11Å; H233-P301 PolarHBondContact NE2-O 2.9Å; H233-A302 PolarHBondContact CD2-O 3.31Å
234	F	98.9	Very high	98.6	Very high	1 Å²	1	43.5 Å²	43.5	0%	0.004	21%	0.209	C	C	.	.	H	α-helix	trans	-60	-46.9	179.5	-176.6	-97.4	0	0	0	111.8	A219 L221 D230 A231 K232 Q237 L238 A302 I306	A219-F234 HydrophobicContact CB-CZ 4.18Å; L221-F234 HydrophobicContact CB-CD1 3.85Å; L221-F234 HydrophobicContact CB-CD2 4.3Å; L221-F234 HydrophobicContact CB-CE1 3.83Å; L221-F234 HydrophobicContact CB-CE2 4.3Å; L221-F234 HydrophobicContact CB-CG 4.09Å; L221-F234 HydrophobicContact CB-CZ 4.07Å; L221-F234 HydrophobicContact CD1-CD2 4.04Å; L221-F234 HydrophobicContact CD1-CE2 4.12Å; L221-F234 HydrophobicContact CD2-CB 3.95Å; L221-F234 HydrophobicContact CD2-CD1 4.46Å; L221-F234 HydrophobicContact CD2-CD2 4.28Å; L221-F234 HydrophobicContact CD2-CG 3.99Å; L221-F234 HydrophobicContact CG-CD2 4.44Å; L221-F234 HydrophobicContact CG-CG 4.43Å; D230-F234 WeakPolarHBondContact O-CB 3.41Å; D230-F234 PolarHBondContact O-N 2.94Å; A231-F234 PolarHBondContact O-N 3.49Å; K232-F234 VanDerWaalsContact C-N 3.34Å; K232-F234 PolarHBondContact O-N 3.47Å; F234-Q237 PolarHBondContact O-N 3.19Å; F234-L238 HydrophobicContact CD1-CD1 3.87Å; F234-L238 HydrophobicContact CE1-CD1 3.37Å; F234-L238 HydrophobicContact CE1-CG 4.36Å; F234-L238 HydrophobicContact CZ-CD1 3.87Å; F234-L238 WeakPolarHBondContact O-CG 3.22Å; F234-L238 PolarHBondContact O-N 2.77Å; F234-A302 HydrophobicContact CD2-CB 3.71Å; F234-A302 HydrophobicContact CE2-CB 3.99Å; F234-A302 HydrophobicContact CG-CB 4.49Å; F234-I306 HydrophobicContact CB-CD1 4.15Å
235	H	98.9	Very high	98.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-70.6	-33.4	179.6	-78.5	-77.4	0	0	0	113.1	A231 K232 H233 L238 K239 Y250 K254 I272 G274 W390 V391	A231-H235 PolarHBondContact O-CD2 3.11Å; A231-H235 PolarHBondContact O-N 3.35Å; K232-H235 PolarHBondContact O-N 2.82Å; H233-H235 PolarHBondContact O-N 2.84Å; H235-L238 PolarHBondContact O-N 3.46Å; H235-K239 VanDerWaalsContact O-CB 3.27Å; H235-K239 WeakPolarHBondContact O-CB 3.26Å; H235-K239 PolarHBondContact O-N 3.47Å; H235-Y250 HydrophobicContact CB-CE2 4.4Å; H235-Y250 AromaticContact ND1-CE2 3.88Å; H235-Y250 AromaticContact ND1-CZ 3.95Å; H235-Y250 PolarHBondContact ND1-OH 2.86Å; H235-Y250 VanDerWaalsContact ND1-OH 3.13Å; H235-K254 VanDerWaalsContact CE1-CD 3.47Å; H235-K254 WeakPolarHBondContact CE1-CD 3.33Å; H235-K254 WeakPolarHBondContact CE1-CE 3.38Å; H235-I272 PolarHBondContact NE2-O 3.18Å; H235-I272 VanDerWaalsContact NE2-O 3.11Å; H235-G274 WeakPolarHBondContact CE1-CA 3.23Å; H235-G274 PolarHBondContact CE1-N 3.48Å; H235-G274 VanDerWaalsContact CE1-N 3.28Å; H235-W390 HydrophobicContact CB-CB 3.86Å; H235-W390 AromaticContact CD2-CD1 3.11Å; H235-W390 AromaticContact CD2-CG 3.49Å; H235-W390 VanDerWaalsContact CD2-CG 3.49Å; H235-W390 AromaticContact CD2-NE1 3.77Å; H235-W390 AromaticContact CE1-CD1 3.78Å; H235-W390 AromaticContact CG-CD1 3.76Å; H235-W390 AromaticContact NE2-CD1 3.14Å; H235-W390 AromaticContact NE2-CG 3.98Å; H235-W390 AromaticContact NE2-NE1 3.51Å; H235-V391 HydrophobicContact CB-CG1 4.02Å; H235-V391 HydrophobicContact CB-CG2 4.4Å
236	E	98.8	Very high	98.5	Very high	75 Å²	75	49.2 Å²	49.2	35%	0.35	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-44.4	173.3	-76	178.6	155.7	0	0	111.2	K232 H233 L238 K239 L240 V391	K232-E236 WeakPolarHBondContact CE-OE1 3.28Å; K232-E236 HydrophobicContact CG-CG 4.08Å; K232-E236 IonicContact NZ-OE1 3.2Å; K232-E236 WeakPolarHBondContact O-CB 3.19Å; K232-E236 VanDerWaalsContact O-CG 3.3Å; K232-E236 WeakPolarHBondContact O-CG 3.4Å; K232-E236 PolarHBondContact O-N 3.36Å; H233-E236 PolarHBondContact O-N 3.05Å; E236-L238 PolarHBondContact O-N 2.76Å; E236-K239 PolarHBondContact O-N 2.98Å; E236-L240 WeakPolarHBondContact O-CB 3.3Å; E236-L240 VanDerWaalsContact O-CG 3.23Å; E236-L240 WeakPolarHBondContact O-CG 3.41Å; E236-L240 PolarHBondContact O-N 3.24Å; E236-V391 HydrophobicContact CB-CG1 4.24Å; E236-V391 HydrophobicContact CG-CB 4.44Å; E236-V391 HydrophobicContact CG-CG1 3.35Å
237	Q	98.9	Very high	98.5	Very high	48 Å²	48	54.7 Å²	54.7	22%	0.224	26%	0.263	C	S	.	.	H	α-helix	trans	-64.5	-40.2	178.2	-66.3	-58.1	-58.1	0	0	112.2	H233 F234 A241 P301 A302	H233-Q237 WeakPolarHBondContact O-CG 3.37Å; H233-Q237 PolarHBondContact O-N 3.08Å; H233-Q237 VanDerWaalsContact O-N 3.11Å; F234-Q237 PolarHBondContact O-N 3.19Å; Q237-A241 PolarHBondContact O-N 3.39Å; Q237-P301 HydrophobicContact CG-CB 4.44Å; Q237-A302 HydrophobicContact CB-CB 3.69Å; Q237-A302 HydrophobicContact CG-CB 4.19Å
238	L	98.8	Very high	98.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-68.5	-40.8	175.7	-65.1	178.6	0	0	0	111.9	A219 F234 H235 E236 A241 C242 I275	A219-L238 HydrophobicContact CB-CD1 4.46Å; A219-L238 HydrophobicContact CB-CD2 4.17Å; F234-L238 HydrophobicContact CD1-CD1 3.87Å; F234-L238 HydrophobicContact CE1-CD1 3.37Å; F234-L238 HydrophobicContact CE1-CG 4.36Å; F234-L238 HydrophobicContact CZ-CD1 3.87Å; F234-L238 WeakPolarHBondContact O-CG 3.22Å; F234-L238 PolarHBondContact O-N 2.77Å; H235-L238 PolarHBondContact O-N 3.46Å; E236-L238 PolarHBondContact O-N 2.76Å; L238-A241 WeakPolarHBondContact O-CB 3.21Å; L238-A241 PolarHBondContact O-N 3.43Å; L238-C242 PolarHBondContact O-N 2.92Å; L238-C242 PolarHBondContact O-SG 3.1Å; L238-C242 VanDerWaalsContact O-SG 3.4Å; L238-I275 HydrophobicContact CB-CG2 4.12Å; L238-I275 HydrophobicContact CD1-CG1 4.14Å; L238-I275 HydrophobicContact CD1-CG2 4.28Å; L238-I275 HydrophobicContact CD2-CD1 4.05Å; L238-I275 HydrophobicContact CD2-CG1 4.21Å
239	K	98.8	Very high	98.5	Very high	54 Å²	54	55.5 Å²	55.5	24%	0.235	27%	0.267	C	S	.	.	H	α-helix	trans	-62	-45.1	175.5	177.5	164.3	171.7	45.7	0	111.6	H235 E236 A241 C242 D243 Y250 V391	H235-K239 VanDerWaalsContact O-CB 3.27Å; H235-K239 WeakPolarHBondContact O-CB 3.26Å; H235-K239 PolarHBondContact O-N 3.47Å; E236-K239 PolarHBondContact O-N 2.98Å; K239-A241 PolarHBondContact O-N 2.92Å; K239-C242 PolarHBondContact O-N 2.91Å; K239-D243 VanDerWaalsContact CE-OD2 3.31Å; K239-D243 WeakPolarHBondContact CE-OD2 3.45Å; K239-D243 VanDerWaalsContact CG-OD2 3.27Å; K239-D243 WeakPolarHBondContact CG-OD2 3.3Å; K239-D243 IonicContact NZ-OD1 3.17Å; K239-D243 PolarHBondContact NZ-OD1 3.27Å; K239-D243 IonicContact NZ-OD2 2.64Å; K239-D243 PolarHBondContact NZ-OD2 2.82Å; K239-D243 WeakPolarHBondContact O-CB 3.46Å; K239-D243 PolarHBondContact O-N 2.71Å; K239-Y250 HydrophobicContact CB-CD1 4.23Å; K239-Y250 HydrophobicContact CB-CD2 3.68Å; K239-Y250 HydrophobicContact CB-CE2 4.08Å; K239-Y250 HydrophobicContact CB-CG 3.78Å; K239-Y250 HydrophobicContact CD-CD1 3.91Å; K239-Y250 HydrophobicContact CD-CE1 4.3Å; K239-Y250 HydrophobicContact CD-CG 4.23Å; K239-Y250 HydrophobicContact CG-CD1 4.18Å; K239-Y250 HydrophobicContact CG-CD2 4.39Å; K239-Y250 HydrophobicContact CG-CG 3.97Å; K239-V391 HydrophobicContact CB-CG2 4.22Å; K239-V391 HydrophobicContact CD-CB 4.27Å; K239-V391 HydrophobicContact CD-CG2 3.58Å
240	L	98.7	Very high	98.5	Very high	97 Å²	97	51.3 Å²	51.3	51%	0.508	25%	0.247	S	C	.	.	H	α-helix	trans	-57.4	-35.8	175.1	-74.8	170.5	0	0	0	112.6	E236 Q244	E236-L240 WeakPolarHBondContact O-CB 3.3Å; E236-L240 VanDerWaalsContact O-CG 3.23Å; E236-L240 WeakPolarHBondContact O-CG 3.41Å; E236-L240 PolarHBondContact O-N 3.24Å; L240-Q244 WeakPolarHBondContact O-CG 3.41Å; L240-Q244 PolarHBondContact O-NE2 2.99Å; L240-Q244 VanDerWaalsContact O-NE2 3.12Å
241	A	98.6	Very high	98.4	Very high	2 Å²	2	54.2 Å²	54.2	2%	0.017	27%	0.266	C	S	.	.	H	α-helix	trans	-71.2	-40.2	174.2	0	0	0	0	0	112.4	Q237 L238 K239 H245 A298	Q237-A241 PolarHBondContact O-N 3.39Å; L238-A241 WeakPolarHBondContact O-CB 3.21Å; L238-A241 PolarHBondContact O-N 3.43Å; K239-A241 PolarHBondContact O-N 2.92Å; A241-H245 PolarHBondContact O-CD2 3.35Å; A241-A298 HydrophobicContact CB-CB 3.92Å
242	C	98.7	Very high	98.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-66.7	-46.1	176.9	-69.9	0	0	0	0	112.8	L238 K239 Q244 H245 D246 F249 F291	L238-C242 PolarHBondContact O-N 2.92Å; L238-C242 PolarHBondContact O-SG 3.1Å; L238-C242 VanDerWaalsContact O-SG 3.4Å; K239-C242 PolarHBondContact O-N 2.91Å; C242-Q244 PolarHBondContact O-N 3.01Å; C242-Q244 VanDerWaalsContact O-N 3.15Å; C242-H245 PolarHBondContact O-N 3.47Å; C242-D246 PolarHBondContact O-N 3.36Å; C242-F249 HydrophobicContact CB-CB 3.91Å; C242-F291 HydrophobicContact CB-CE2 4.46Å
243	D	98.3	Very high	98.4	Very high	58 Å²	58	55.9 Å²	55.9	31%	0.31	27%	0.269	S	S	.	.	H	α-helix	trans	-65.6	-18.4	-174.5	-68.7	-7.9	0	0	0	113	K239 H245	K239-D243 VanDerWaalsContact CE-OD2 3.31Å; K239-D243 WeakPolarHBondContact CE-OD2 3.45Å; K239-D243 VanDerWaalsContact CG-OD2 3.27Å; K239-D243 WeakPolarHBondContact CG-OD2 3.3Å; K239-D243 IonicContact NZ-OD1 3.17Å; K239-D243 PolarHBondContact NZ-OD1 3.27Å; K239-D243 IonicContact NZ-OD2 2.64Å; K239-D243 PolarHBondContact NZ-OD2 2.82Å; K239-D243 WeakPolarHBondContact O-CB 3.46Å; K239-D243 PolarHBondContact O-N 2.71Å; D243-H245 PolarHBondContact O-N 3.37Å
244	Q	98.1	Very high	98.4	Very high	130 Å²	130	53.6 Å²	53.6	61%	0.607	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.7	170.9	-73.7	167.7	35.5	0	0	113.2	L240 C242 S294	L240-Q244 WeakPolarHBondContact O-CG 3.41Å; L240-Q244 PolarHBondContact O-NE2 2.99Å; L240-Q244 VanDerWaalsContact O-NE2 3.12Å; C242-Q244 PolarHBondContact O-N 3.01Å; C242-Q244 VanDerWaalsContact O-N 3.15Å; Q244-S294 PolarHBondContact OE1-OG 2.96Å
245	H	98	Very high	98.4	Very high	70 Å²	70	60.2 Å²	60.2	32%	0.324	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-45.5	-172.5	-60.8	-87.2	0	0	0	112.3	A241 C242 D243 F249 S290 F291 S294	A241-H245 PolarHBondContact O-CD2 3.35Å; C242-H245 PolarHBondContact O-N 3.47Å; D243-H245 PolarHBondContact O-N 3.37Å; H245-F249 HydrophobicContact CB-CD2 4.22Å; H245-F249 HydrophobicContact CB-CE2 3.97Å; H245-S290 VanDerWaalsContact CE1-C 3.42Å; H245-F291 HydrophobicContact CB-CB 4.36Å; H245-F291 HydrophobicContact CB-CD2 4.14Å; H245-F291 AromaticContact CD2-CD2 3.75Å; H245-F291 PolarHBondContact CE1-N 3.4Å; H245-F291 VanDerWaalsContact CE1-N 3.34Å; H245-F291 AromaticContact CG-CD2 3.97Å; H245-F291 WeakPolarHBondContact NE2-CA 3.22Å; H245-S294 WeakPolarHBondContact NE2-CB 3.46Å; H245-S294 PolarHBondContact NE2-OG 2.77Å
246	D	97.6	Very high	98.4	Very high	62 Å²	62	64.1 Å²	64.1	33%	0.332	30%	0.302	S	S	.	.			trans	-163.3	125.3	177.9	-172.3	-27.3	0	0	0	110.2	C242 L248 F249	C242-D246 PolarHBondContact O-N 3.36Å; D246-L248 PolarHBondContact O-N 3.07Å; D246-L248 VanDerWaalsContact O-N 3.15Å; D246-L248 VanDerWaalsContact OD1-CB 3.28Å; D246-L248 WeakPolarHBondContact OD1-CB 3.4Å; D246-L248 PolarHBondContact OD1-N 3.34Å; D246-F249 HydrophobicContact CB-CB 4.48Å; D246-F249 HydrophobicContact CB-CD1 3.55Å; D246-F249 HydrophobicContact CB-CD2 3.87Å; D246-F249 HydrophobicContact CB-CE1 3.56Å; D246-F249 HydrophobicContact CB-CE2 3.9Å; D246-F249 HydrophobicContact CB-CG 3.71Å; D246-F249 HydrophobicContact CB-CZ 3.74Å; D246-F249 WeakPolarHBondContact O-CB 3.11Å; D246-F249 PolarHBondContact O-N 3.06Å; D246-F249 WeakPolarHBondContact OD2-CE1 3.41Å
247	E	97	Very high	98.4	Very high	152 Å²	152	60.5 Å²	60.5	71%	0.71	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.8	179.2	-62.3	-177.3	172.7	0	0	113.1	P251	E247-P251 WeakPolarHBondContact O-CD 3.46Å
248	L	97.8	Very high	98.3	Very high	126 Å²	126	59 Å²	59	66%	0.66	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-13.8	177.3	-58.4	-180	0	0	0	113.2	D246 R252	D246-L248 PolarHBondContact O-N 3.07Å; D246-L248 VanDerWaalsContact O-N 3.15Å; D246-L248 VanDerWaalsContact OD1-CB 3.28Å; D246-L248 WeakPolarHBondContact OD1-CB 3.4Å; D246-L248 PolarHBondContact OD1-N 3.34Å; L248-R252 VanDerWaalsContact O-CB 3.24Å; L248-R252 WeakPolarHBondContact O-CB 3.47Å; L248-R252 PolarHBondContact O-N 2.86Å
249	F	98.3	Very high	98.3	Very high	36 Å²	36	64.2 Å²	64.2	16%	0.158	31%	0.307	C	S	.	.	H	α-helix	trans	-66.2	-47.7	-177.2	-78.7	3.3	0	0	0	112.2	C242 H245 D246 R252 F253 F291	C242-F249 HydrophobicContact CB-CB 3.91Å; H245-F249 HydrophobicContact CB-CD2 4.22Å; H245-F249 HydrophobicContact CB-CE2 3.97Å; D246-F249 HydrophobicContact CB-CB 4.48Å; D246-F249 HydrophobicContact CB-CD1 3.55Å; D246-F249 HydrophobicContact CB-CD2 3.87Å; D246-F249 HydrophobicContact CB-CE1 3.56Å; D246-F249 HydrophobicContact CB-CE2 3.9Å; D246-F249 HydrophobicContact CB-CG 3.71Å; D246-F249 HydrophobicContact CB-CZ 3.74Å; D246-F249 WeakPolarHBondContact O-CB 3.11Å; D246-F249 PolarHBondContact O-N 3.06Å; D246-F249 WeakPolarHBondContact OD2-CE1 3.41Å; F249-R252 PolarHBondContact O-N 2.91Å; F249-F253 HydrophobicContact CB-CD2 3.82Å; F249-F253 HydrophobicContact CB-CE2 3.55Å; F249-F253 HydrophobicContact CB-CZ 4.41Å; F249-F253 HydrophobicContact CD1-CE2 4.03Å; F249-F253 HydrophobicContact CD1-CZ 4.12Å; F249-F253 AromaticContact CD2-CE2 3.93Å; F249-F253 HydrophobicContact CD2-CE2 3.93Å; F249-F253 HydrophobicContact CG-CD2 4.34Å; F249-F253 AromaticContact CG-CE2 3.55Å; F249-F253 HydrophobicContact CG-CE2 3.55Å; F249-F253 HydrophobicContact CG-CZ 4.11Å; F249-F253 VanDerWaalsContact O-CB 3.31Å; F249-F253 WeakPolarHBondContact O-CB 3.3Å; F249-F253 WeakPolarHBondContact O-CD2 2.78Å; F249-F253 WeakPolarHBondContact O-CG 3.44Å; F249-F253 PolarHBondContact O-N 2.99Å; F249-F291 HydrophobicContact CD2-CD1 4.48Å; F249-F291 AromaticContact CD2-CD2 3.73Å; F249-F291 HydrophobicContact CD2-CD2 3.73Å; F249-F291 HydrophobicContact CD2-CE1 4.36Å; F249-F291 AromaticContact CD2-CE2 3.61Å; F249-F291 HydrophobicContact CD2-CE2 3.61Å; F249-F291 HydrophobicContact CD2-CG 4.18Å; F249-F291 AromaticContact CD2-CZ 3.94Å; F249-F291 HydrophobicContact CD2-CZ 3.94Å; F249-F291 HydrophobicContact CE2-CD1 4.31Å; F249-F291 AromaticContact CE2-CD2 3.99Å; F249-F291 HydrophobicContact CE2-CD2 3.99Å; F249-F291 HydrophobicContact CE2-CE2 4.27Å; F249-F291 HydrophobicContact CE2-CG 4.02Å
250	Y	98.7	Very high	98.3	Very high	5 Å²	5	63.5 Å²	63.5	2%	0.02	30%	0.303	C	S	.	.	H	α-helix	trans	-61.4	-53.4	-177.7	172.8	-93.2	0	0	0	112.4	H235 K239 R252 F253 K254 I275 V391	H235-Y250 HydrophobicContact CB-CE2 4.4Å; H235-Y250 AromaticContact ND1-CE2 3.88Å; H235-Y250 AromaticContact ND1-CZ 3.95Å; H235-Y250 PolarHBondContact ND1-OH 2.86Å; H235-Y250 VanDerWaalsContact ND1-OH 3.13Å; K239-Y250 HydrophobicContact CB-CD1 4.23Å; K239-Y250 HydrophobicContact CB-CD2 3.68Å; K239-Y250 HydrophobicContact CB-CE2 4.08Å; K239-Y250 HydrophobicContact CB-CG 3.78Å; K239-Y250 HydrophobicContact CD-CD1 3.91Å; K239-Y250 HydrophobicContact CD-CE1 4.3Å; K239-Y250 HydrophobicContact CD-CG 4.23Å; K239-Y250 HydrophobicContact CG-CD1 4.18Å; K239-Y250 HydrophobicContact CG-CD2 4.39Å; K239-Y250 HydrophobicContact CG-CG 3.97Å; Y250-R252 VanDerWaalsContact C-N 3.28Å; Y250-R252 PolarHBondContact O-N 2.85Å; Y250-F253 PolarHBondContact O-N 2.89Å; Y250-K254 HydrophobicContact CE1-CB 4.4Å; Y250-K254 HydrophobicContact CE2-CB 4.36Å; Y250-K254 WeakPolarHBondContact O-CB 3.13Å; Y250-K254 PolarHBondContact O-N 3.36Å; Y250-I275 HydrophobicContact CD2-CG2 4.05Å; Y250-I275 HydrophobicContact CE2-CG2 4.43Å; Y250-V391 HydrophobicContact CD1-CG2 4.21Å; Y250-V391 HydrophobicContact CE1-CG2 3.35Å; Y250-V391 HydrophobicContact CE2-CG2 4.28Å; Y250-V391 VanDerWaalsContact CZ-CG2 3.4Å; Y250-V391 WeakPolarHBondContact OH-CG2 3.44Å
251	P	98.3	Very high	98.2	Very high	69 Å²	69	59.2 Å²	59.2	45%	0.448	28%	0.281	S	S	.	.	H	α-helix	trans	-58.1	-39.5	178.8	-24.8	34.5	0	0	0	113	E247 K255	E247-P251 WeakPolarHBondContact O-CD 3.46Å; P251-K255 WeakPolarHBondContact O-CB 3.5Å; P251-K255 PolarHBondContact O-N 3.47Å
252	R	98.3	Very high	98.2	Very high	138 Å²	138	63.4 Å²	63.4	52%	0.521	30%	0.296	S	S	.	.	H	α-helix	trans	-64.4	-52.3	177.4	179.1	-177.6	173.8	-169.6	-3.3	111.6	L248 F249 Y250 W256	L248-R252 VanDerWaalsContact O-CB 3.24Å; L248-R252 WeakPolarHBondContact O-CB 3.47Å; L248-R252 PolarHBondContact O-N 2.86Å; F249-R252 PolarHBondContact O-N 2.91Å; Y250-R252 VanDerWaalsContact C-N 3.28Å; Y250-R252 PolarHBondContact O-N 2.85Å; R252-W256 PolarHBondContact O-N 2.97Å
253	F	98.7	Very high	98.2	Very high	1 Å²	1	63.4 Å²	63.4	0%	0.004	30%	0.296	C	S	.	.	H	α-helix	trans	-76.4	-26.5	-173.7	-59.4	-31.6	0	0	0	112.6	F249 Y250 W256 C257 I275 F276 F277 L280 F291	F249-F253 HydrophobicContact CB-CD2 3.82Å; F249-F253 HydrophobicContact CB-CE2 3.55Å; F249-F253 HydrophobicContact CB-CZ 4.41Å; F249-F253 HydrophobicContact CD1-CE2 4.03Å; F249-F253 HydrophobicContact CD1-CZ 4.12Å; F249-F253 AromaticContact CD2-CE2 3.93Å; F249-F253 HydrophobicContact CD2-CE2 3.93Å; F249-F253 HydrophobicContact CG-CD2 4.34Å; F249-F253 AromaticContact CG-CE2 3.55Å; F249-F253 HydrophobicContact CG-CE2 3.55Å; F249-F253 HydrophobicContact CG-CZ 4.11Å; F249-F253 VanDerWaalsContact O-CB 3.31Å; F249-F253 WeakPolarHBondContact O-CB 3.3Å; F249-F253 WeakPolarHBondContact O-CD2 2.78Å; F249-F253 WeakPolarHBondContact O-CG 3.44Å; F249-F253 PolarHBondContact O-N 2.99Å; Y250-F253 PolarHBondContact O-N 2.89Å; F253-W256 HydrophobicContact CD1-CE3 4.25Å; F253-C257 VanDerWaalsContact O-CB 3.31Å; F253-C257 WeakPolarHBondContact O-CB 3.28Å; F253-C257 PolarHBondContact O-N 3.06Å; F253-I275 HydrophobicContact CB-CB 3.9Å; F253-I275 HydrophobicContact CB-CG2 4.13Å; F253-F276 WeakPolarHBondContact CB-O 3.28Å; F253-F276 WeakPolarHBondContact CD1-O 3.34Å; F253-F276 PolarHBondContact O-N 3.12Å; F253-F277 HydrophobicContact CD1-CB 3.69Å; F253-F277 HydrophobicContact CD2-CB 4.45Å; F253-F277 HydrophobicContact CD2-CD1 4.13Å; F253-F277 HydrophobicContact CE1-CB 3.59Å; F253-F277 HydrophobicContact CE2-CB 4.35Å; F253-F277 HydrophobicContact CE2-CD1 4.33Å; F253-F277 HydrophobicContact CG-CB 4.15Å; F253-F277 HydrophobicContact CG-CD1 4.34Å; F253-F277 HydrophobicContact CZ-CB 3.94Å; F253-F277 HydrophobicContact CZ-CG 4.49Å; F253-L280 HydrophobicContact CZ-CD1 4.29Å; F253-L280 HydrophobicContact CZ-CD2 4.49Å; F253-F291 HydrophobicContact CD2-CE1 4.44Å; F253-F291 AromaticContact CD2-CZ 3.84Å; F253-F291 HydrophobicContact CD2-CZ 3.84Å; F253-F291 AromaticContact CE2-CE1 3.72Å; F253-F291 HydrophobicContact CE2-CE1 3.72Å; F253-F291 HydrophobicContact CE2-CE2 4.38Å; F253-F291 AromaticContact CE2-CZ 3.44Å; F253-F291 HydrophobicContact CE2-CZ 3.44Å; F253-F291 VanDerWaalsContact CE2-CZ 3.44Å; F253-F291 HydrophobicContact CZ-CE1 4.44Å
254	K	98.8	Very high	98.2	Very high	1 Å²	1	65.4 Å²	65.4	0%	0.004	31%	0.311	C	S	.	.	H	α-helix	trans	-62.9	-53.4	169.4	175.3	57	172.8	71.2	0	111.8	H235 Y250 W256 C257 D258 G274 K388	H235-K254 VanDerWaalsContact CE1-CD 3.47Å; H235-K254 WeakPolarHBondContact CE1-CD 3.33Å; H235-K254 WeakPolarHBondContact CE1-CE 3.38Å; Y250-K254 HydrophobicContact CE1-CB 4.4Å; Y250-K254 HydrophobicContact CE2-CB 4.36Å; Y250-K254 WeakPolarHBondContact O-CB 3.13Å; Y250-K254 PolarHBondContact O-N 3.36Å; K254-W256 VanDerWaalsContact C-N 3.26Å; K254-W256 PolarHBondContact O-N 3.05Å; K254-C257 VanDerWaalsContact O-CB 3.31Å; K254-C257 WeakPolarHBondContact O-CB 3.06Å; K254-C257 PolarHBondContact O-N 3.32Å; K254-C257 VanDerWaalsContact O-N 3.07Å; K254-D258 IonicContact NZ-OD1 3.01Å; K254-D258 PolarHBondContact NZ-OD1 2.91Å; K254-D258 IonicContact NZ-OD2 2.69Å; K254-D258 PolarHBondContact NZ-OD2 3.17Å; K254-D258 PolarHBondContact O-N 2.88Å; K254-G274 VanDerWaalsContact CA-O 3.26Å; K254-G274 WeakPolarHBondContact CA-O 3.35Å; K254-G274 VanDerWaalsContact CD-O 3.24Å; K254-G274 WeakPolarHBondContact CD-O 3.38Å; K254-K388 PolarHBondContact NZ-O 3.15Å
255	K	98.5	Very high	98.2	Very high	140 Å²	140	63.3 Å²	63.3	61%	0.609	30%	0.301	S	S	*	.	H	α-helix	trans	-59.2	-39.8	176.6	-174.2	172.7	-177.6	172.9	0	111.8	P251 N259	P251-K255 WeakPolarHBondContact O-CB 3.5Å; P251-K255 PolarHBondContact O-N 3.47Å; K255-N259 VanDerWaalsContact O-CG 3.27Å; K255-N259 PolarHBondContact O-N 2.86Å; K255-N259 PolarHBondContact O-ND2 3Å; K255-N259 VanDerWaalsContact O-ND2 3.16Å
256	W	98.4	Very high	98.1	Very high	82 Å²	82	64.9 Å²	64.9	31%	0.311	30%	0.304	S	S	.	.	H	α-helix	trans	-64.3	-42.5	175.5	-160.6	-13.7	0	0	0	111.5	R252 F253 K254 D258 N259 Y260 F276 D278	R252-W256 PolarHBondContact O-N 2.97Å; F253-W256 HydrophobicContact CD1-CE3 4.25Å; K254-W256 VanDerWaalsContact C-N 3.26Å; K254-W256 PolarHBondContact O-N 3.05Å; W256-D258 PolarHBondContact O-N 2.91Å; W256-N259 PolarHBondContact O-N 2.89Å; W256-Y260 WeakPolarHBondContact O-CB 3.34Å; W256-Y260 PolarHBondContact O-N 2.77Å; W256-F276 AromaticContact CD1-CD1 3.71Å; W256-F276 HydrophobicContact CD2-CD1 4.14Å; W256-F276 AromaticContact CG-CD1 3.96Å; W256-F276 HydrophobicContact CG-CD1 3.96Å; W256-F276 AromaticContact NE1-CD1 3.72Å; W256-F276 AromaticContact NE1-CE1 3.86Å; W256-D278 HydrophobicContact CH2-CB 4.08Å; W256-D278 WeakPolarHBondContact CH2-O 3.39Å; W256-D278 HydrophobicContact CZ2-CB 4.01Å
257	C	98.6	Very high	98.1	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.9	-47	177.3	-168.7	0	0	0	0	112	F253 K254 N259 Y260 F261 G274 F276	F253-C257 VanDerWaalsContact O-CB 3.31Å; F253-C257 WeakPolarHBondContact O-CB 3.28Å; F253-C257 PolarHBondContact O-N 3.06Å; K254-C257 VanDerWaalsContact O-CB 3.31Å; K254-C257 WeakPolarHBondContact O-CB 3.06Å; K254-C257 PolarHBondContact O-N 3.32Å; K254-C257 VanDerWaalsContact O-N 3.07Å; C257-N259 VanDerWaalsContact C-N 3.33Å; C257-N259 PolarHBondContact O-N 2.79Å; C257-Y260 PolarHBondContact O-N 2.87Å; C257-F261 VanDerWaalsContact O-CD2 3.32Å; C257-F261 WeakPolarHBondContact O-CD2 3.38Å; C257-F261 PolarHBondContact O-N 3.09Å; C257-F261 VanDerWaalsContact SG-CD2 3.53Å; C257-G274 PolarHBondContact SG-N 2.89Å; C257-F276 HydrophobicContact CB-CB 3.79Å
258	D	98.4	Very high	98.2	Very high	15 Å²	15	56.7 Å²	56.7	8%	0.08	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-42.7	179	-61.2	-28	0	0	0	111.9	K254 W256 G273 P387	K254-D258 IonicContact NZ-OD1 3.01Å; K254-D258 PolarHBondContact NZ-OD1 2.91Å; K254-D258 IonicContact NZ-OD2 2.69Å; K254-D258 PolarHBondContact NZ-OD2 3.17Å; K254-D258 PolarHBondContact O-N 2.88Å; W256-D258 PolarHBondContact O-N 2.91Å; D258-G273 WeakPolarHBondContact OD1-CA 3.47Å; D258-P387 HydrophobicContact CB-CB 4.24Å; D258-P387 HydrophobicContact CB-CG 4.31Å
259	N	98.1	Very high	98.2	Very high	111 Å²	111	50.9 Å²	50.9	59%	0.594	24%	0.241	S	C	*	.	H	α-helix	trans	-67.6	-38.1	178.2	-69.5	-26.8	0	0	0	112.2	K255 W256 C257	K255-N259 VanDerWaalsContact O-CG 3.27Å; K255-N259 PolarHBondContact O-N 2.86Å; K255-N259 PolarHBondContact O-ND2 3Å; K255-N259 VanDerWaalsContact O-ND2 3.16Å; W256-N259 PolarHBondContact O-N 2.89Å; C257-N259 VanDerWaalsContact C-N 3.33Å; C257-N259 PolarHBondContact O-N 2.79Å
260	Y	97.6	Very high	98.2	Very high	39 Å²	39	49.4 Å²	49.4	15%	0.153	24%	0.235	C	C	.	.	H	α-helix	trans	-70.6	-45.5	-178	-173.9	-99.9	0	0	0	111.5	W256 C257 Y262 F276 F333 D338 R339	W256-Y260 WeakPolarHBondContact O-CB 3.34Å; W256-Y260 PolarHBondContact O-N 2.77Å; C257-Y260 PolarHBondContact O-N 2.87Å; Y260-Y262 VanDerWaalsContact C-N 3.25Å; Y260-Y262 PolarHBondContact O-N 3.11Å; Y260-F276 AromaticContact CD1-CD2 3.96Å; Y260-F276 HydrophobicContact CD1-CD2 3.96Å; Y260-F276 HydrophobicContact CD1-CE1 4.35Å; Y260-F276 AromaticContact CD1-CE2 3.7Å; Y260-F276 HydrophobicContact CD1-CE2 3.7Å; Y260-F276 HydrophobicContact CD1-CG 4.39Å; Y260-F276 AromaticContact CD1-CZ 3.92Å; Y260-F276 HydrophobicContact CD1-CZ 3.92Å; Y260-F276 HydrophobicContact CD2-CD1 4.41Å; Y260-F276 AromaticContact CD2-CE1 3.81Å; Y260-F276 HydrophobicContact CD2-CE1 3.81Å; Y260-F276 HydrophobicContact CD2-CE2 4.47Å; Y260-F276 AromaticContact CD2-CZ 3.84Å; Y260-F276 HydrophobicContact CD2-CZ 3.84Å; Y260-F276 HydrophobicContact CE1-CD2 4.4Å; Y260-F276 AromaticContact CE1-CE2 3.72Å; Y260-F276 HydrophobicContact CE1-CE2 3.72Å; Y260-F276 AromaticContact CE1-CZ 3.91Å; Y260-F276 HydrophobicContact CE1-CZ 3.91Å; Y260-F276 HydrophobicContact CE2-CE1 4.23Å; Y260-F276 AromaticContact CE2-CZ 3.86Å; Y260-F276 HydrophobicContact CE2-CZ 3.86Å; Y260-F276 HydrophobicContact CG-CD1 4.09Å; Y260-F276 HydrophobicContact CG-CD2 4.29Å; Y260-F276 AromaticContact CG-CE1 3.88Å; Y260-F276 HydrophobicContact CG-CE1 3.88Å; Y260-F276 HydrophobicContact CG-CE2 4.08Å; Y260-F276 HydrophobicContact CG-CG 4.3Å; Y260-F276 AromaticContact CG-CZ 3.88Å; Y260-F276 HydrophobicContact CG-CZ 3.88Å; Y260-F276 AromaticContact CZ-CZ 3.88Å; Y260-F333 HydrophobicContact CD1-CZ 4.42Å; Y260-F333 HydrophobicContact CE1-CZ 4.27Å; Y260-F333 VanDerWaalsContact O-CE2 3.26Å; Y260-F333 WeakPolarHBondContact O-CE2 3.48Å; Y260-F333 VanDerWaalsContact O-CZ 3.29Å; Y260-F333 WeakPolarHBondContact O-CZ 3.36Å; Y260-D338 PolarHBondContact OH-OD1 3.13Å; Y260-D338 VanDerWaalsContact OH-OD1 3.08Å; Y260-R339 HydrophobicContact CE2-CG 4.45Å; Y260-R339 VanDerWaalsContact CE2-NE 3.33Å; Y260-R339 PolarHBondContact OH-N 3.24Å
261	F	97.8	Very high	98.2	Very high	7 Å²	7	49.3 Å²	49.3	3%	0.031	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	45.1	-178.1	-63.6	-71.7	0	0	0	112.6	D220 C257 T269 R270 F276 F333	D220-F261 HydrophobicContact CB-CD2 4.38Å; D220-F261 HydrophobicContact CB-CE2 4.23Å; C257-F261 VanDerWaalsContact O-CD2 3.32Å; C257-F261 WeakPolarHBondContact O-CD2 3.38Å; C257-F261 PolarHBondContact O-N 3.09Å; C257-F261 VanDerWaalsContact SG-CD2 3.53Å; F261-T269 CarbonylContact O-C 3.55Å; F261-T269 VanDerWaalsContact O-CA 3.31Å; F261-T269 WeakPolarHBondContact O-CA 2.86Å; F261-R270 HydrophobicContact CB-CB 4.17Å; F261-R270 VanDerWaalsContact CD1-NH2 3.31Å; F261-R270 VanDerWaalsContact CE1-CZ 3.47Å; F261-R270 PolarHBondContact O-N 3.43Å; F261-F276 AromaticContact CE2-CD2 3.98Å; F261-F276 HydrophobicContact CE2-CD2 3.98Å; F261-F276 HydrophobicContact CZ-CD2 4.22Å; F261-F333 HydrophobicContact CB-CZ 4.44Å; F261-F333 HydrophobicContact CD1-CD1 4.23Å; F261-F333 AromaticContact CD1-CE1 3.46Å; F261-F333 HydrophobicContact CD1-CE1 3.46Å; F261-F333 VanDerWaalsContact CD1-CE1 3.46Å; F261-F333 HydrophobicContact CD1-CE2 4.35Å; F261-F333 AromaticContact CD1-CZ 3.53Å; F261-F333 HydrophobicContact CD1-CZ 3.53Å; F261-F333 AromaticContact CE1-CE1 3.86Å; F261-F333 HydrophobicContact CE1-CE1 3.86Å; F261-F333 HydrophobicContact CE1-CZ 4.19Å; F261-F333 HydrophobicContact CG-CZ 4.33Å
262	Y	98.3	Very high	98.2	Very high	89 Å²	89	46.3 Å²	46.3	35%	0.349	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	130.5	179.3	-169.1	-101.6	0	0	0	112.2	Y260 T264 G267 T269	Y260-Y262 VanDerWaalsContact C-N 3.25Å; Y260-Y262 PolarHBondContact O-N 3.11Å; Y262-T264 PolarHBondContact O-N 3.36Å; Y262-G267 VanDerWaalsContact OH-C 3.31Å; Y262-G267 VanDerWaalsContact OH-CA 3.29Å; Y262-G267 WeakPolarHBondContact OH-CA 2.93Å; Y262-T269 HydrophobicContact CD2-CG2 4Å
263	L	98.3	Very high	98.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	92.5	174.6	-70.8	84.5	0	0	0	109.6	H265 R266 G267 E268 R270 R329 E332 F333	L263-H265 VanDerWaalsContact C-N 3.27Å; L263-H265 PolarHBondContact O-N 3.3Å; L263-R266 HydrophobicContact CB-CB 3.95Å; L263-R266 HydrophobicContact CB-CG 4.19Å; L263-R266 HydrophobicContact CD2-CG 4.06Å; L263-R266 PolarHBondContact O-N 2.81Å; L263-G267 PolarHBondContact O-N 3.4Å; L263-E268 PolarHBondContact N-O 3.29Å; L263-R270 VanDerWaalsContact CD1-CA 3.48Å; L263-R270 HydrophobicContact CD1-CB 3.71Å; L263-R270 HydrophobicContact CD1-CG 4.38Å; L263-R329 HydrophobicContact CD2-CB 4.02Å; L263-R329 WeakPolarHBondContact CD2-O 3.38Å; L263-E332 HydrophobicContact CD2-CB 4.17Å; L263-F333 HydrophobicContact CD1-CB 4.12Å; L263-F333 HydrophobicContact CD1-CD2 4.18Å; L263-F333 HydrophobicContact CD2-CB 4.4Å; L263-F333 HydrophobicContact CG-CB 4.08Å; L263-F333 HydrophobicContact CG-CD2 4.29Å
264	T	98	Very high	98.2	Very high	101 Å²	101	39.8 Å²	39.8	62%	0.62	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-42.5	-176.1	-48.5	0	0	0	0	113.2	Y262 R266 G267	Y262-T264 PolarHBondContact O-N 3.36Å; T264-R266 PolarHBondContact O-N 3.13Å; T264-G267 PolarHBondContact O-N 2.99Å
265	H	97.7	Very high	98.2	Very high	85 Å²	85	39.8 Å²	39.8	39%	0.394	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-9.2	-179	68.6	-85.3	0	0	0	114.4	L263 E332 Y337	L263-H265 VanDerWaalsContact C-N 3.27Å; L263-H265 PolarHBondContact O-N 3.3Å; H265-E332 IonicContact CE1-OE2 2.87Å; H265-E332 IonicContact NE2-OE2 3.64Å; H265-E332 PolarHBondContact NE2-OE2 2.93Å; H265-Y337 AromaticContact CE1-CE2 3.62Å; H265-Y337 PolarHBondContact N-OH 2.6Å; H265-Y337 AromaticContact ND1-CE2 3.3Å; H265-Y337 VanDerWaalsContact ND1-CE2 3.3Å; H265-Y337 WeakPolarHBondContact ND1-CE2 3.36Å; H265-Y337 AromaticContact ND1-CZ 3.46Å; H265-Y337 PolarHBondContact ND1-OH 3.12Å
266	R	96.8	Very high	98.2	Very high	103 Å²	103	33.6 Å²	33.6	39%	0.389	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	-17.1	175.6	-62.2	-62.5	-171.9	-175.5	-1.3	113.2	L263 T264 E268 R329 E332	L263-R266 HydrophobicContact CB-CB 3.95Å; L263-R266 HydrophobicContact CB-CG 4.19Å; L263-R266 HydrophobicContact CD2-CG 4.06Å; L263-R266 PolarHBondContact O-N 2.81Å; T264-R266 PolarHBondContact O-N 3.13Å; R266-E268 VanDerWaalsContact C-N 3.35Å; R266-E268 HydrophobicContact CB-CG 3.76Å; R266-R329 VanDerWaalsContact NH2-NH1 3.19Å; R266-E332 IonicContact CZ-OE1 3.47Å; R266-E332 IonicContact CZ-OE2 2.74Å; R266-E332 IonicContact NE-OE1 2.81Å; R266-E332 IonicContact NE-OE2 3.69Å; R266-E332 PolarHBondContact NE-OE2 3.18Å; R266-E332 IonicContact NH2-OE1 3.91Å; R266-E332 PolarHBondContact NH2-OE1 3.37Å; R266-E332 IonicContact NH2-OE2 2.88Å; R266-E332 PolarHBondContact NH2-OE2 2.86Å
267	G	98.1	Very high	98.2	Very high	29 Å²	29	29.7 Å²	29.7	30%	0.299	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	29.1	-178.4	0	0	0	0	0	113.6	Y262 L263 T264	Y262-G267 VanDerWaalsContact OH-C 3.31Å; Y262-G267 VanDerWaalsContact OH-CA 3.29Å; Y262-G267 WeakPolarHBondContact OH-CA 2.93Å; L263-G267 PolarHBondContact O-N 3.4Å; T264-G267 PolarHBondContact O-N 2.99Å
268	E	98.2	Very high	98	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.061	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	156.8	-176	63.4	177.5	-144.9	0	0	111.4	L263 R266 R326 L384 K385	L263-E268 PolarHBondContact N-O 3.29Å; R266-E268 VanDerWaalsContact C-N 3.35Å; R266-E268 HydrophobicContact CB-CG 3.76Å; E268-R326 IonicContact OE1-CZ 3.57Å; E268-R326 IonicContact OE1-NH1 3.65Å; E268-R326 PolarHBondContact OE1-NH1 2.88Å; E268-R326 IonicContact OE1-NH2 3.39Å; E268-R326 PolarHBondContact OE1-NH2 2.95Å; E268-R326 IonicContact OE2-NH1 2.86Å; E268-R326 PolarHBondContact OE2-NH1 2.88Å; E268-L384 CarbonylContact C-O 3.47Å; E268-L384 WeakPolarHBondContact CA-O 3.17Å; E268-L384 HydrophobicContact CB-CB 4.06Å; E268-K385 HydrophobicContact CB-CG 4.2Å
269	T	98.5	Very high	97.7	Very high	4 Å²	4	31.9 Å²	31.9	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	153.9	168.8	58.8	0	0	0	0	111.6	F261 Y262 G271 L384 P387	F261-T269 CarbonylContact O-C 3.55Å; F261-T269 VanDerWaalsContact O-CA 3.31Å; F261-T269 WeakPolarHBondContact O-CA 2.86Å; Y262-T269 HydrophobicContact CD2-CG2 4Å; T269-G271 VanDerWaalsContact C-N 3.28Å; T269-G271 WeakPolarHBondContact CB-O 3.2Å; T269-G271 PolarHBondContact O-N 3.06Å; T269-G271 PolarHBondContact OG1-O 3.43Å; T269-L384 PolarHBondContact N-O 2.84Å; T269-L384 WeakPolarHBondContact OG1-CA 3.35Å; T269-L384 PolarHBondContact OG1-O 3.26Å; T269-P387 HydrophobicContact CG2-CG 3.59Å
270	R	98	Very high	97.6	Very high	6 Å²	6	27.5 Å²	27.5	2%	0.023	14%	0.138	C	C	.	.	S	Bend	trans	-62.3	-38.3	176.5	-171.2	178.6	72.7	179.2	-0.3	111.5	D220 T222 F261 L263 Y330 F333 N334	D220-R270 IonicContact OD1-NH2 3.12Å; D220-R270 PolarHBondContact OD1-NH2 3.19Å; D220-R270 IonicContact OD2-CZ 3.11Å; D220-R270 IonicContact OD2-NE 2.66Å; D220-R270 IonicContact OD2-NH2 3.27Å; D220-R270 PolarHBondContact OD2-NH2 3.27Å; T222-R270 VanDerWaalsContact CG2-O 3.27Å; T222-R270 WeakPolarHBondContact CG2-O 3.26Å; F261-R270 HydrophobicContact CB-CB 4.17Å; F261-R270 VanDerWaalsContact CD1-NH2 3.31Å; F261-R270 VanDerWaalsContact CE1-CZ 3.47Å; F261-R270 PolarHBondContact O-N 3.43Å; L263-R270 VanDerWaalsContact CD1-CA 3.48Å; L263-R270 HydrophobicContact CD1-CB 3.71Å; L263-R270 HydrophobicContact CD1-CG 4.38Å; R270-Y330 HydrophobicContact CG-CD2 3.99Å; R270-F333 HydrophobicContact CG-CB 4.34Å; R270-N334 PolarHBondContact NH1-OD1 3.25Å
271	G	98.5	Very high	97.3	Very high	2 Å²	2	30.3 Å²	30.3	2%	0.021	15%	0.152	C	C	.	.	S	Bend	trans	-152.1	-165.6	-177.9	0	0	0	0	0	111.8	L221 T269 G273 L384	L221-G271 CarbonylContact O-C 3.49Å; L221-G271 WeakPolarHBondContact O-CA 3.09Å; T269-G271 VanDerWaalsContact C-N 3.28Å; T269-G271 WeakPolarHBondContact CB-O 3.2Å; T269-G271 PolarHBondContact O-N 3.06Å; T269-G271 PolarHBondContact OG1-O 3.43Å; G271-G273 PolarHBondContact O-N 3.13Å; G271-L384 VanDerWaalsContact C-CD2 3.41Å; G271-L384 VanDerWaalsContact O-CD2 3.3Å; G271-L384 WeakPolarHBondContact O-CD2 3.38Å
272	I	98.7	Very high	97	Very high	6 Å²	6	34.1 Å²	34.1	3%	0.031	17%	0.173	C	C	.	.	S	Bend	trans	-84.2	16.2	-175.6	61.5	152.4	0	0	0	113.7	L221 P223 A231 H235 V383 L384 W390	L221-I272 HydrophobicContact CB-CD1 4.13Å; L221-I272 HydrophobicContact CB-CG1 3.92Å; L221-I272 HydrophobicContact CD2-CD1 3.92Å; L221-I272 HydrophobicContact CD2-CG1 4.49Å; L221-I272 HydrophobicContact CG-CD1 4.49Å; L221-I272 VanDerWaalsContact O-CG1 3.27Å; L221-I272 WeakPolarHBondContact O-CG1 3.36Å; L221-I272 PolarHBondContact O-N 3.5Å; P223-I272 HydrophobicContact CG-CG1 4.36Å; P223-I272 HydrophobicContact CG-CG2 3.6Å; A231-I272 HydrophobicContact CB-CD1 3.33Å; H235-I272 PolarHBondContact NE2-O 3.18Å; H235-I272 VanDerWaalsContact NE2-O 3.11Å; I272-V383 HydrophobicContact CG2-CG1 4.4Å; I272-L384 HydrophobicContact CG2-CD2 4.47Å; I272-W390 HydrophobicContact CB-CZ2 3.82Å; I272-W390 HydrophobicContact CD1-CZ2 4.37Å; I272-W390 HydrophobicContact CG2-CZ2 3.81Å; I272-W390 PolarHBondContact O-NE1 3.44Å; I272-W390 VanDerWaalsContact O-NE1 3.13Å
273	G	98.3	Very high	96.4	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.031	20%	0.198	C	C	.	.			trans	77.5	-157.7	-176.1	0	0	0	0	0	113.4	D220 L221 D258 G271	D220-G273 WeakPolarHBondContact CA-O 3.12Å; L221-G273 PolarHBondContact N-O 2.81Å; L221-G273 VanDerWaalsContact N-O 3.09Å; D258-G273 WeakPolarHBondContact OD1-CA 3.47Å; G271-G273 PolarHBondContact O-N 3.13Å
274	G	98.7	Very high	96.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.1	-131.8	-176.8	0	0	0	0	0	108	A219 H235 K254 C257	A219-G274 CarbonylContact O-C 3.58Å; A219-G274 WeakPolarHBondContact O-CA 3.26Å; H235-G274 WeakPolarHBondContact CE1-CA 3.23Å; H235-G274 PolarHBondContact CE1-N 3.48Å; H235-G274 VanDerWaalsContact CE1-N 3.28Å; K254-G274 VanDerWaalsContact CA-O 3.26Å; K254-G274 WeakPolarHBondContact CA-O 3.35Å; K254-G274 VanDerWaalsContact CD-O 3.24Å; K254-G274 WeakPolarHBondContact CD-O 3.38Å; C257-G274 PolarHBondContact SG-N 2.89Å
275	I	98.8	Very high	96	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143.4	169.1	60.5	175	0	0	0	110.2	G218 A219 L238 Y250 F253 F277 C295	G218-I275 CarbonylContact C-O 3.6Å; G218-I275 WeakPolarHBondContact CA-O 3.3Å; A219-I275 PolarHBondContact N-O 3.39Å; A219-I275 PolarHBondContact O-N 3.31Å; L238-I275 HydrophobicContact CB-CG2 4.12Å; L238-I275 HydrophobicContact CD1-CG1 4.14Å; L238-I275 HydrophobicContact CD1-CG2 4.28Å; L238-I275 HydrophobicContact CD2-CD1 4.05Å; L238-I275 HydrophobicContact CD2-CG1 4.21Å; Y250-I275 HydrophobicContact CD2-CG2 4.05Å; Y250-I275 HydrophobicContact CE2-CG2 4.43Å; F253-I275 HydrophobicContact CB-CB 3.9Å; F253-I275 HydrophobicContact CB-CG2 4.13Å; I275-F277 HydrophobicContact CD1-CE1 4.27Å; I275-C295 HydrophobicContact CD1-CB 4.25Å
276	F	98.6	Very high	95.9	Very high	11 Å²	11	36.2 Å²	36.2	5%	0.048	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	133.4	171.1	-173.3	-92.1	0	0	0	110.4	F253 W256 C257 Y260 F261 D278	F253-F276 WeakPolarHBondContact CB-O 3.28Å; F253-F276 WeakPolarHBondContact CD1-O 3.34Å; F253-F276 PolarHBondContact O-N 3.12Å; W256-F276 AromaticContact CD1-CD1 3.71Å; W256-F276 HydrophobicContact CD2-CD1 4.14Å; W256-F276 AromaticContact CG-CD1 3.96Å; W256-F276 HydrophobicContact CG-CD1 3.96Å; W256-F276 AromaticContact NE1-CD1 3.72Å; W256-F276 AromaticContact NE1-CE1 3.86Å; C257-F276 HydrophobicContact CB-CB 3.79Å; Y260-F276 AromaticContact CD1-CD2 3.96Å; Y260-F276 HydrophobicContact CD1-CD2 3.96Å; Y260-F276 HydrophobicContact CD1-CE1 4.35Å; Y260-F276 AromaticContact CD1-CE2 3.7Å; Y260-F276 HydrophobicContact CD1-CE2 3.7Å; Y260-F276 HydrophobicContact CD1-CG 4.39Å; Y260-F276 AromaticContact CD1-CZ 3.92Å; Y260-F276 HydrophobicContact CD1-CZ 3.92Å; Y260-F276 HydrophobicContact CD2-CD1 4.41Å; Y260-F276 AromaticContact CD2-CE1 3.81Å; Y260-F276 HydrophobicContact CD2-CE1 3.81Å; Y260-F276 HydrophobicContact CD2-CE2 4.47Å; Y260-F276 AromaticContact CD2-CZ 3.84Å; Y260-F276 HydrophobicContact CD2-CZ 3.84Å; Y260-F276 HydrophobicContact CE1-CD2 4.4Å; Y260-F276 AromaticContact CE1-CE2 3.72Å; Y260-F276 HydrophobicContact CE1-CE2 3.72Å; Y260-F276 AromaticContact CE1-CZ 3.91Å; Y260-F276 HydrophobicContact CE1-CZ 3.91Å; Y260-F276 HydrophobicContact CE2-CE1 4.23Å; Y260-F276 AromaticContact CE2-CZ 3.86Å; Y260-F276 HydrophobicContact CE2-CZ 3.86Å; Y260-F276 HydrophobicContact CG-CD1 4.09Å; Y260-F276 HydrophobicContact CG-CD2 4.29Å; Y260-F276 AromaticContact CG-CE1 3.88Å; Y260-F276 HydrophobicContact CG-CE1 3.88Å; Y260-F276 HydrophobicContact CG-CE2 4.08Å; Y260-F276 HydrophobicContact CG-CG 4.3Å; Y260-F276 AromaticContact CG-CZ 3.88Å; Y260-F276 HydrophobicContact CG-CZ 3.88Å; Y260-F276 AromaticContact CZ-CZ 3.88Å; F261-F276 AromaticContact CE2-CD2 3.98Å; F261-F276 HydrophobicContact CE2-CD2 3.98Å; F261-F276 HydrophobicContact CZ-CD2 4.22Å; F276-D278 HydrophobicContact CE1-CB 4.22Å
277	F	98	Very high	95.9	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	149.6	175.3	54.4	-90.6	0	0	0	110.4	F199 G216 G217 F253 I275 L280 F291 V292	F199-F277 HydrophobicContact CD1-CZ 4.12Å; F199-F277 HydrophobicContact CE1-CZ 4.2Å; G216-F277 CarbonylContact C-O 3.53Å; G216-F277 WeakPolarHBondContact CA-O 3.21Å; G217-F277 PolarHBondContact N-O 3.21Å; G217-F277 PolarHBondContact O-N 3.01Å; F253-F277 HydrophobicContact CD1-CB 3.69Å; F253-F277 HydrophobicContact CD2-CB 4.45Å; F253-F277 HydrophobicContact CD2-CD1 4.13Å; F253-F277 HydrophobicContact CE1-CB 3.59Å; F253-F277 HydrophobicContact CE2-CB 4.35Å; F253-F277 HydrophobicContact CE2-CD1 4.33Å; F253-F277 HydrophobicContact CG-CB 4.15Å; F253-F277 HydrophobicContact CG-CD1 4.34Å; F253-F277 HydrophobicContact CZ-CB 3.94Å; F253-F277 HydrophobicContact CZ-CG 4.49Å; I275-F277 HydrophobicContact CD1-CE1 4.27Å; F277-L280 HydrophobicContact CD2-CB 4.17Å; F277-L280 HydrophobicContact CD2-CD2 3.96Å; F277-L280 HydrophobicContact CE2-CD2 4.3Å; F277-L280 HydrophobicContact CG-CD2 4.5Å; F277-F291 HydrophobicContact CD1-CE1 4.06Å; F277-F291 HydrophobicContact CD1-CZ 4.29Å; F277-F291 HydrophobicContact CD2-CE1 4.47Å; F277-F291 AromaticContact CE1-CE1 3.78Å; F277-F291 HydrophobicContact CE1-CE1 3.78Å; F277-F291 HydrophobicContact CE1-CZ 4.01Å; F277-F291 HydrophobicContact CE2-CE1 4.21Å; F277-F291 HydrophobicContact CG-CE1 4.4Å; F277-F291 AromaticContact CZ-CE1 3.86Å; F277-F291 HydrophobicContact CZ-CE1 3.86Å; F277-F291 HydrophobicContact CZ-CZ 4.48Å; F277-V292 HydrophobicContact CE2-CG2 4.05Å; F277-V292 HydrophobicContact CZ-CG2 4.26Å
278	D	95.3	Very high	95.9	Very high	17 Å²	17	37.1 Å²	37.1	9%	0.091	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	156.5	179.3	-158.1	1	0	0	0	107.9	R200 W256 F276 L280 R339	R200-D278 IonicContact CZ-OD1 2.81Å; R200-D278 IonicContact NE-OD1 3.47Å; R200-D278 IonicContact NH2-OD1 2.8Å; R200-D278 PolarHBondContact NH2-OD1 3.22Å; R200-D278 IonicContact NH2-OD2 2.93Å; R200-D278 PolarHBondContact NH2-OD2 3.21Å; W256-D278 HydrophobicContact CH2-CB 4.08Å; W256-D278 WeakPolarHBondContact CH2-O 3.39Å; W256-D278 HydrophobicContact CZ2-CB 4.01Å; F276-D278 HydrophobicContact CE1-CB 4.22Å; D278-L280 PolarHBondContact O-N 3.22Å; D278-L280 VanDerWaalsContact O-N 3.1Å; D278-R339 IonicContact OD2-CZ 2.69Å; D278-R339 IonicContact OD2-NH1 2.81Å; D278-R339 IonicContact OD2-NH2 3.72Å; D278-R339 PolarHBondContact OD2-NH2 2.88Å
279	D	92.3	Very high	95.9	Very high	44 Å²	44	37.5 Å²	37.5	24%	0.235	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	47.8	38.9	-178.7	-55.7	-34	0	0	0	112.7	R164 W214 Y215 E281	R164-D279 WeakPolarHBondContact CD-OD2 3.24Å; R164-D279 IonicContact CZ-OD2 3.22Å; R164-D279 IonicContact NE-OD2 3.98Å; R164-D279 PolarHBondContact NE-OD2 2.97Å; W214-D279 PolarHBondContact NE1-OD1 3.44Å; W214-D279 VanDerWaalsContact NE1-OD1 3.09Å; Y215-D279 PolarHBondContact O-N 3.36Å; D279-E281 PolarHBondContact O-N 3.44Å
280	L	94.9	Very high	95.9	Very high	18 Å²	18	39.4 Å²	39.4	9%	0.094	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	110.9	178.6	-174.7	67.4	0	0	0	109.6	W214 Y215 F253 F277 D278 V288 F291	W214-L280 WeakPolarHBondContact CA-O 3.26Å; Y215-L280 PolarHBondContact N-O 3.47Å; Y215-L280 WeakPolarHBondContact O-CB 3.21Å; Y215-L280 PolarHBondContact O-N 3.46Å; F253-L280 HydrophobicContact CZ-CD1 4.29Å; F253-L280 HydrophobicContact CZ-CD2 4.49Å; F277-L280 HydrophobicContact CD2-CB 4.17Å; F277-L280 HydrophobicContact CD2-CD2 3.96Å; F277-L280 HydrophobicContact CE2-CD2 4.3Å; F277-L280 HydrophobicContact CG-CD2 4.5Å; D278-L280 PolarHBondContact O-N 3.22Å; D278-L280 VanDerWaalsContact O-N 3.1Å; L280-V288 HydrophobicContact CB-CG1 4.48Å; L280-V288 HydrophobicContact CD2-CG1 3.86Å; L280-V288 HydrophobicContact CG-CG1 3.83Å; L280-F291 HydrophobicContact CD2-CD1 3.5Å; L280-F291 HydrophobicContact CD2-CE1 3.58Å
281	E	92.2	Very high	95.9	Very high	99 Å²	99	39.2 Å²	39.2	46%	0.463	21%	0.206	S	C	.	.			trans	-138.5	156.8	178.4	60.8	-175.3	-153.2	0	0	109.9	H165 W213 W214 D279	H165-E281 IonicContact CE1-OE2 3.58Å; H165-E281 IonicContact ND1-OE2 3.95Å; W213-E281 HydrophobicContact CE3-CB 4.44Å; W213-E281 HydrophobicContact CH2-CB 4.25Å; W213-E281 HydrophobicContact CZ3-CB 4.08Å; W213-E281 VanDerWaalsContact O-OE2 3.12Å; W214-E281 HydrophobicContact CB-CB 4.31Å; D279-E281 PolarHBondContact O-N 3.44Å
282	D	91.2	Very high	95.9	Very high	86 Å²	86	39.1 Å²	39.1	46%	0.46	21%	0.205	S	C	.	.			trans	-156.6	168	177.3	-161.1	-24.2	0	0	0	108.8	W213 S284 V288	W213-D282 VanDerWaalsContact CH2-O 3.22Å; W213-D282 WeakPolarHBondContact CH2-O 3.31Å; W213-D282 WeakPolarHBondContact CZ2-O 3.49Å; D282-S284 PolarHBondContact O-N 3.5Å; D282-S284 VanDerWaalsContact O-N 3.15Å; D282-V288 HydrophobicContact CB-CG2 3.61Å
283	T	85.3	Confident	95.9	Very high	142 Å²	142	42.6 Å²	42.6	87%	0.871	22%	0.22	S	C	*	.	S	Bend	trans	-49.9	-32	170.8	54.5	0	0	0	0	114
284	S	93.9	Very high	95.9	Very high	33 Å²	33	43.1 Å²	43.1	23%	0.231	22%	0.223	C	C	.	.			trans	-113.6	103.2	176.4	179.3	0	0	0	0	111	D282 E286 K287 V288	D282-S284 PolarHBondContact O-N 3.5Å; D282-S284 VanDerWaalsContact O-N 3.15Å; S284-E286 PolarHBondContact O-N 3.48Å; S284-K287 PolarHBondContact O-N 2.92Å; S284-K287 PolarHBondContact OG-N 3.21Å; S284-V288 PolarHBondContact O-N 2.88Å
285	Q	94.8	Very high	95.9	Very high	31 Å²	31	43.1 Å²	43.1	15%	0.145	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-28.3	173.1	-166.9	171.6	4.2	0	0	112.7	Y87 Y201 W213 Y215 V288 F289	Y87-Q285 VanDerWaalsContact CB-NE2 3.29Å; Y87-Q285 HydrophobicContact CD1-CG 3.97Å; Y87-Q285 HydrophobicContact CD2-CB 4.22Å; Y87-Q285 HydrophobicContact CD2-CG 3.64Å; Y87-Q285 VanDerWaalsContact CD2-NE2 3.31Å; Y87-Q285 HydrophobicContact CE1-CB 4.34Å; Y87-Q285 HydrophobicContact CE1-CG 3.95Å; Y87-Q285 HydrophobicContact CE2-CB 3.69Å; Y87-Q285 VanDerWaalsContact CE2-CD 3.48Å; Y87-Q285 HydrophobicContact CE2-CG 3.62Å; Y87-Q285 VanDerWaalsContact CG-CD 3.44Å; Y87-Q285 HydrophobicContact CG-CG 3.82Å; Y87-Q285 VanDerWaalsContact CG-NE2 3.26Å; Y201-Q285 VanDerWaalsContact CZ-NE2 3.34Å; Y201-Q285 PolarHBondContact OH-NE2 2.85Å; W213-Q285 HydrophobicContact CD2-CB 4.42Å; W213-Q285 HydrophobicContact CD2-CG 3.89Å; W213-Q285 HydrophobicContact CE3-CB 4.49Å; W213-Q285 HydrophobicContact CE3-CG 3.77Å; W213-Q285 VanDerWaalsContact CH2-CA 3.4Å; W213-Q285 HydrophobicContact CH2-CB 3.62Å; W213-Q285 HydrophobicContact CH2-CG 3.75Å; W213-Q285 HydrophobicContact CZ2-CB 3.46Å; W213-Q285 VanDerWaalsContact CZ2-CB 3.46Å; W213-Q285 HydrophobicContact CZ2-CG 3.82Å; W213-Q285 HydrophobicContact CZ3-CB 4.14Å; W213-Q285 HydrophobicContact CZ3-CG 3.72Å; Y215-Q285 HydrophobicContact CE2-CG 4.16Å; Q285-V288 PolarHBondContact O-N 2.91Å; Q285-F289 VanDerWaalsContact O-CB 3.3Å; Q285-F289 WeakPolarHBondContact O-CB 3.31Å; Q285-F289 PolarHBondContact O-N 3.41Å
286	E	95.6	Very high	95.9	Very high	114 Å²	114	43.3 Å²	43.3	53%	0.533	23%	0.225	S	C	.	.	H	α-helix	trans	-65.1	-43.6	177.6	-170.6	175	-168.8	0	0	111.6	Y87 S284 F289 S290	Y87-E286 WeakPolarHBondContact OH-CA 3.32Å; Y87-E286 VanDerWaalsContact OH-CB 3.23Å; Y87-E286 WeakPolarHBondContact OH-CB 3.25Å; Y87-E286 PolarHBondContact OH-N 3.3Å; S284-E286 PolarHBondContact O-N 3.48Å; E286-F289 PolarHBondContact O-N 3.02Å; E286-S290 VanDerWaalsContact O-CB 3.32Å; E286-S290 WeakPolarHBondContact O-CB 3.44Å; E286-S290 PolarHBondContact O-N 3.27Å; E286-S290 PolarHBondContact O-OG 3.24Å
287	K	96.8	Very high	95.9	Very high	141 Å²	141	47 Å²	47	61%	0.613	24%	0.242	S	C	*	.	H	α-helix	trans	-63.3	-46.1	177	-72	-177.4	175	-178.3	0	110.9	S284 F289 S290 F291	S284-K287 PolarHBondContact O-N 2.92Å; S284-K287 PolarHBondContact OG-N 3.21Å; K287-F289 PolarHBondContact O-N 3.41Å; K287-S290 PolarHBondContact O-N 3.17Å; K287-F291 PolarHBondContact O-N 3.45Å
288	V	97.8	Very high	96	Very high	9 Å²	9	47.4 Å²	47.4	6%	0.055	25%	0.245	C	C	.	.	H	α-helix	trans	-64.3	-43	178.3	-172.9	0	0	0	0	111.4	W213 Y215 L280 D282 S284 Q285 S290 F291 V292	W213-V288 HydrophobicContact CH2-CB 4.44Å; W213-V288 HydrophobicContact CH2-CG2 4.07Å; W213-V288 HydrophobicContact CZ3-CB 4.23Å; W213-V288 HydrophobicContact CZ3-CG1 4.44Å; W213-V288 HydrophobicContact CZ3-CG2 4.24Å; Y215-V288 HydrophobicContact CD2-CB 4.16Å; Y215-V288 HydrophobicContact CD2-CG1 3.49Å; Y215-V288 VanDerWaalsContact CD2-CG1 3.49Å; Y215-V288 HydrophobicContact CE2-CB 4.47Å; Y215-V288 HydrophobicContact CE2-CG1 4.25Å; Y215-V288 HydrophobicContact CG-CG1 4.1Å; L280-V288 HydrophobicContact CB-CG1 4.48Å; L280-V288 HydrophobicContact CD2-CG1 3.86Å; L280-V288 HydrophobicContact CG-CG1 3.83Å; D282-V288 HydrophobicContact CB-CG2 3.61Å; S284-V288 PolarHBondContact O-N 2.88Å; Q285-V288 PolarHBondContact O-N 2.91Å; V288-S290 VanDerWaalsContact C-N 3.33Å; V288-S290 PolarHBondContact O-N 2.95Å; V288-F291 PolarHBondContact O-N 3.37Å; V288-V292 WeakPolarHBondContact O-CG2 3.3Å; V288-V292 PolarHBondContact O-N 2.8Å
289	F	97.9	Very high	96.1	Very high	22 Å²	22	46.8 Å²	46.8	10%	0.096	24%	0.242	C	C	.	.	H	α-helix	trans	-61.1	-42.4	174.6	175.4	-105.3	0	0	0	111.9	Y87 K90 L94 Y215 Q285 E286 K287 F291 V292 K293	Y87-F289 HydrophobicContact CD1-CB 3.94Å; Y87-F289 HydrophobicContact CD1-CD2 4.42Å; Y87-F289 HydrophobicContact CD1-CG 4.07Å; Y87-F289 HydrophobicContact CE1-CB 3.81Å; Y87-F289 HydrophobicContact CE1-CD1 4.47Å; Y87-F289 HydrophobicContact CE1-CG 4.18Å; K90-F289 HydrophobicContact CB-CE1 4.04Å; K90-F289 HydrophobicContact CB-CE2 3.92Å; K90-F289 HydrophobicContact CB-CZ 3.63Å; K90-F289 HydrophobicContact CD-CD1 4.41Å; K90-F289 HydrophobicContact CD-CE1 4.18Å; L94-F289 HydrophobicContact CB-CZ 4.47Å; L94-F289 HydrophobicContact CD2-CE2 4.03Å; L94-F289 HydrophobicContact CD2-CZ 4.38Å; Y215-F289 HydrophobicContact CE1-CD2 4.08Å; Y215-F289 HydrophobicContact CE2-CB 4.37Å; Y215-F289 AromaticContact CZ-CD2 3.96Å; Y215-F289 WeakPolarHBondContact OH-CD2 3.19Å; Q285-F289 VanDerWaalsContact O-CB 3.3Å; Q285-F289 WeakPolarHBondContact O-CB 3.31Å; Q285-F289 PolarHBondContact O-N 3.41Å; E286-F289 PolarHBondContact O-N 3.02Å; K287-F289 PolarHBondContact O-N 3.41Å; F289-F291 VanDerWaalsContact C-N 3.32Å; F289-F291 PolarHBondContact O-N 2.87Å; F289-V292 PolarHBondContact O-N 2.82Å; F289-K293 WeakPolarHBondContact O-CB 3.18Å; F289-K293 PolarHBondContact O-N 2.89Å
290	S	98	Very high	96.4	Very high	43 Å²	43	46.1 Å²	46.1	30%	0.301	24%	0.238	S	C	.	.	H	α-helix	trans	-62.4	-39.5	177.8	-60.4	0	0	0	0	111.7	H245 E286 K287 V288 K293 S294	H245-S290 VanDerWaalsContact CE1-C 3.42Å; E286-S290 VanDerWaalsContact O-CB 3.32Å; E286-S290 WeakPolarHBondContact O-CB 3.44Å; E286-S290 PolarHBondContact O-N 3.27Å; E286-S290 PolarHBondContact O-OG 3.24Å; K287-S290 PolarHBondContact O-N 3.17Å; V288-S290 VanDerWaalsContact C-N 3.33Å; V288-S290 PolarHBondContact O-N 2.95Å; S290-K293 PolarHBondContact O-N 3.46Å; S290-S294 PolarHBondContact O-N 3.34Å; S290-S294 PolarHBondContact O-OG 3.44Å
291	F	98.5	Very high	96.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.009	25%	0.25	C	C	.	.	H	α-helix	trans	-61.2	-49.7	172.3	168.6	-111.9	0	0	0	112.2	C242 H245 F249 F253 F277 L280 K287 V288 F289 K293 S294 C295	C242-F291 HydrophobicContact CB-CE2 4.46Å; H245-F291 HydrophobicContact CB-CB 4.36Å; H245-F291 HydrophobicContact CB-CD2 4.14Å; H245-F291 AromaticContact CD2-CD2 3.75Å; H245-F291 PolarHBondContact CE1-N 3.4Å; H245-F291 VanDerWaalsContact CE1-N 3.34Å; H245-F291 AromaticContact CG-CD2 3.97Å; H245-F291 WeakPolarHBondContact NE2-CA 3.22Å; F249-F291 HydrophobicContact CD2-CD1 4.48Å; F249-F291 AromaticContact CD2-CD2 3.73Å; F249-F291 HydrophobicContact CD2-CD2 3.73Å; F249-F291 HydrophobicContact CD2-CE1 4.36Å; F249-F291 AromaticContact CD2-CE2 3.61Å; F249-F291 HydrophobicContact CD2-CE2 3.61Å; F249-F291 HydrophobicContact CD2-CG 4.18Å; F249-F291 AromaticContact CD2-CZ 3.94Å; F249-F291 HydrophobicContact CD2-CZ 3.94Å; F249-F291 HydrophobicContact CE2-CD1 4.31Å; F249-F291 AromaticContact CE2-CD2 3.99Å; F249-F291 HydrophobicContact CE2-CD2 3.99Å; F249-F291 HydrophobicContact CE2-CE2 4.27Å; F249-F291 HydrophobicContact CE2-CG 4.02Å; F253-F291 HydrophobicContact CD2-CE1 4.44Å; F253-F291 AromaticContact CD2-CZ 3.84Å; F253-F291 HydrophobicContact CD2-CZ 3.84Å; F253-F291 AromaticContact CE2-CE1 3.72Å; F253-F291 HydrophobicContact CE2-CE1 3.72Å; F253-F291 HydrophobicContact CE2-CE2 4.38Å; F253-F291 AromaticContact CE2-CZ 3.44Å; F253-F291 HydrophobicContact CE2-CZ 3.44Å; F253-F291 VanDerWaalsContact CE2-CZ 3.44Å; F253-F291 HydrophobicContact CZ-CE1 4.44Å; F277-F291 HydrophobicContact CD1-CE1 4.06Å; F277-F291 HydrophobicContact CD1-CZ 4.29Å; F277-F291 HydrophobicContact CD2-CE1 4.47Å; F277-F291 AromaticContact CE1-CE1 3.78Å; F277-F291 HydrophobicContact CE1-CE1 3.78Å; F277-F291 HydrophobicContact CE1-CZ 4.01Å; F277-F291 HydrophobicContact CE2-CE1 4.21Å; F277-F291 HydrophobicContact CG-CE1 4.4Å; F277-F291 AromaticContact CZ-CE1 3.86Å; F277-F291 HydrophobicContact CZ-CE1 3.86Å; F277-F291 HydrophobicContact CZ-CZ 4.48Å; L280-F291 HydrophobicContact CD2-CD1 3.5Å; L280-F291 HydrophobicContact CD2-CE1 3.58Å; K287-F291 PolarHBondContact O-N 3.45Å; V288-F291 PolarHBondContact O-N 3.37Å; F289-F291 VanDerWaalsContact C-N 3.32Å; F289-F291 PolarHBondContact O-N 2.87Å; F291-K293 PolarHBondContact O-N 3.21Å; F291-S294 PolarHBondContact O-N 3.11Å; F291-S294 VanDerWaalsContact O-N 3.12Å; F291-C295 WeakPolarHBondContact CE2-SG 3.36Å; F291-C295 WeakPolarHBondContact CZ-SG 3.26Å; F291-C295 PolarHBondContact O-N 2.92Å; F291-C295 PolarHBondContact O-SG 2.8Å
292	V	98.6	Very high	96.9	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-39	177.5	173.4	0	0	0	0	111.2	L94 F199 Y215 F277 V288 F289 C295 A296	L94-V292 HydrophobicContact CD2-CG1 4.42Å; F199-V292 HydrophobicContact CB-CG1 4.07Å; F199-V292 HydrophobicContact CD1-CG1 4.15Å; F199-V292 HydrophobicContact CG-CG1 4.34Å; Y215-V292 HydrophobicContact CD1-CB 4.32Å; Y215-V292 HydrophobicContact CD1-CG1 4.27Å; Y215-V292 HydrophobicContact CD1-CG2 3.79Å; Y215-V292 HydrophobicContact CG-CG2 3.82Å; F277-V292 HydrophobicContact CE2-CG2 4.05Å; F277-V292 HydrophobicContact CZ-CG2 4.26Å; V288-V292 WeakPolarHBondContact O-CG2 3.3Å; V288-V292 PolarHBondContact O-N 2.8Å; F289-V292 PolarHBondContact O-N 2.82Å; V292-C295 PolarHBondContact O-N 2.87Å; V292-A296 WeakPolarHBondContact O-CB 3.45Å; V292-A296 PolarHBondContact O-N 2.91Å
293	K	98.5	Very high	97.3	Very high	80 Å²	80	39 Å²	39	35%	0.348	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-47.6	174	179.6	175.7	174.6	-177.4	0	111.9	L94 F289 S290 F291 C295 A296 E297	L94-K293 HydrophobicContact CD1-CB 4.4Å; L94-K293 HydrophobicContact CD1-CG 3.98Å; L94-K293 HydrophobicContact CD2-CB 4.22Å; F289-K293 WeakPolarHBondContact O-CB 3.18Å; F289-K293 PolarHBondContact O-N 2.89Å; S290-K293 PolarHBondContact O-N 3.46Å; F291-K293 PolarHBondContact O-N 3.21Å; K293-C295 VanDerWaalsContact C-N 3.3Å; K293-C295 PolarHBondContact O-N 2.76Å; K293-A296 WeakPolarHBondContact O-CB 3.3Å; K293-A296 PolarHBondContact O-N 2.81Å; K293-A296 VanDerWaalsContact O-N 3.13Å; K293-E297 WeakPolarHBondContact CE-OE1 3.36Å; K293-E297 HydrophobicContact CG-CG 4.45Å; K293-E297 IonicContact NZ-OE1 3.32Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 2.96Å
294	S	98.8	Very high	97.9	Very high	14 Å²	14	32.9 Å²	32.9	10%	0.098	17%	0.168	C	C	.	.	H	α-helix	trans	-57.9	-41.6	175.2	-69.1	0	0	0	0	111.8	Q244 H245 S290 F291 E297 A298	Q244-S294 PolarHBondContact OE1-OG 2.96Å; H245-S294 WeakPolarHBondContact NE2-CB 3.46Å; H245-S294 PolarHBondContact NE2-OG 2.77Å; S290-S294 PolarHBondContact O-N 3.34Å; S290-S294 PolarHBondContact O-OG 3.44Å; F291-S294 PolarHBondContact O-N 3.11Å; F291-S294 VanDerWaalsContact O-N 3.12Å; S294-E297 PolarHBondContact O-N 3.28Å; S294-A298 PolarHBondContact O-N 3.2Å; S294-A298 VanDerWaalsContact O-N 3.14Å
295	C	98.8	Very high	98.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-64.4	-41.6	174.9	-65.9	0	0	0	0	112.7	F199 I275 F291 V292 K293 E297 A298	F199-C295 HydrophobicContact CD1-CB 4.47Å; F199-C295 HydrophobicContact CE1-CB 3.52Å; F199-C295 HydrophobicContact CZ-CB 3.78Å; I275-C295 HydrophobicContact CD1-CB 4.25Å; F291-C295 WeakPolarHBondContact CE2-SG 3.36Å; F291-C295 WeakPolarHBondContact CZ-SG 3.26Å; F291-C295 PolarHBondContact O-N 2.92Å; F291-C295 PolarHBondContact O-SG 2.8Å; V292-C295 PolarHBondContact O-N 2.87Å; K293-C295 VanDerWaalsContact C-N 3.3Å; K293-C295 PolarHBondContact O-N 2.76Å; C295-E297 VanDerWaalsContact C-N 3.33Å; C295-A298 PolarHBondContact O-N 2.82Å
296	A	98.7	Very high	98.4	Very high	3 Å²	3	33.1 Å²	33.1	3%	0.025	17%	0.171	C	C	.	.	H	α-helix	trans	-63.2	-39.1	177	0	0	0	0	0	112.1	L94 L98 F199 V292 K293 A298 I299	L94-A296 HydrophobicContact CD1-CB 4.13Å; L94-A296 HydrophobicContact CD2-CB 4.32Å; L94-A296 HydrophobicContact CG-CB 4.42Å; L98-A296 HydrophobicContact CD2-CB 4Å; F199-A296 HydrophobicContact CD2-CB 4.06Å; F199-A296 HydrophobicContact CE2-CB 4.04Å; V292-A296 WeakPolarHBondContact O-CB 3.45Å; V292-A296 PolarHBondContact O-N 2.91Å; K293-A296 WeakPolarHBondContact O-CB 3.3Å; K293-A296 PolarHBondContact O-N 2.81Å; K293-A296 VanDerWaalsContact O-N 3.13Å; A296-A298 VanDerWaalsContact C-N 3.31Å; A296-A298 PolarHBondContact O-N 2.86Å; A296-I299 WeakPolarHBondContact O-CG1 3.12Å; A296-I299 PolarHBondContact O-N 2.93Å
297	E	98.5	Very high	98.5	Very high	89 Å²	89	27.7 Å²	27.7	42%	0.416	15%	0.146	S	C	.	.	H	α-helix	trans	-69.4	-27.8	177.5	-72.5	174.7	168.2	0	0	112.8	K293 S294 C295 I299 P301	K293-E297 WeakPolarHBondContact CE-OE1 3.36Å; K293-E297 HydrophobicContact CG-CG 4.45Å; K293-E297 IonicContact NZ-OE1 3.32Å; K293-E297 WeakPolarHBondContact O-CG 3.46Å; K293-E297 PolarHBondContact O-N 2.96Å; S294-E297 PolarHBondContact O-N 3.28Å; C295-E297 VanDerWaalsContact C-N 3.33Å; E297-I299 VanDerWaalsContact C-N 3.34Å; E297-I299 PolarHBondContact O-N 3.13Å; E297-P301 WeakPolarHBondContact O-CD 3.49Å
298	A	98.7	Very high	98.6	Very high	8 Å²	8	25.1 Å²	25.1	7%	0.066	14%	0.136	C	C	.	.	H	α-helix	trans	-73.8	-18.4	177.6	0	0	0	0	0	114.4	A241 S294 C295 A296 I300 P301 A302	A241-A298 HydrophobicContact CB-CB 3.92Å; S294-A298 PolarHBondContact O-N 3.2Å; S294-A298 VanDerWaalsContact O-N 3.14Å; C295-A298 PolarHBondContact O-N 2.82Å; A296-A298 VanDerWaalsContact C-N 3.31Å; A296-A298 PolarHBondContact O-N 2.86Å; A298-I300 PolarHBondContact O-N 2.89Å; A298-P301 WeakPolarHBondContact O-CD 3.44Å; A298-A302 WeakPolarHBondContact O-CB 3.39Å; A298-A302 PolarHBondContact O-N 2.84Å
299	I	98.8	Very high	98.6	Very high	5 Å²	5	29.9 Å²	29.9	3%	0.026	16%	0.156	C	C	.	.	H	α-helix	trans	-56.9	-51.3	-174.4	-66	-55.4	0	0	0	113.1	F197 F199 A219 A296 E297 A302 Y303	F197-I299 HydrophobicContact CB-CD1 3.67Å; F197-I299 HydrophobicContact CB-CG1 4.46Å; F197-I299 HydrophobicContact CD1-CD1 4.05Å; F197-I299 HydrophobicContact CD1-CG1 4.19Å; F197-I299 HydrophobicContact CD1-CG2 3.51Å; F197-I299 HydrophobicContact CD2-CD1 4.48Å; F197-I299 HydrophobicContact CD2-CG1 4.4Å; F197-I299 HydrophobicContact CE1-CG2 3.43Å; F197-I299 VanDerWaalsContact CE1-CG2 3.43Å; F197-I299 HydrophobicContact CG-CD1 3.83Å; F197-I299 HydrophobicContact CG-CG1 4.11Å; F197-I299 HydrophobicContact CG-CG2 4.28Å; F197-I299 HydrophobicContact CZ-CG2 4.15Å; F199-I299 HydrophobicContact CE2-CD1 3.85Å; F199-I299 HydrophobicContact CE2-CG1 3.74Å; F199-I299 HydrophobicContact CZ-CD1 3.89Å; F199-I299 HydrophobicContact CZ-CG1 4.16Å; A219-I299 HydrophobicContact CB-CD1 3.55Å; A296-I299 WeakPolarHBondContact O-CG1 3.12Å; A296-I299 PolarHBondContact O-N 2.93Å; E297-I299 VanDerWaalsContact C-N 3.34Å; E297-I299 PolarHBondContact O-N 3.13Å; I299-A302 PolarHBondContact O-N 2.82Å; I299-Y303 WeakPolarHBondContact O-CB 3.39Å; I299-Y303 PolarHBondContact O-N 3.01Å; I299-Y303 VanDerWaalsContact O-N 3.07Å
300	I	98.8	Very high	98.7	Very high	29 Å²	29	29.7 Å²	29.7	15%	0.149	15%	0.154	C	C	.	.	H	α-helix	trans	-67.1	-50.5	-175.9	-74.4	167.1	0	0	0	110.8	L98 R101 L102 A298 A302 Y303 L304	L98-I300 HydrophobicContact CD1-CD1 4.37Å; R101-I300 HydrophobicContact CB-CD1 4.02Å; R101-I300 HydrophobicContact CG-CD1 3.63Å; L102-I300 HydrophobicContact CB-CD1 4.22Å; L102-I300 HydrophobicContact CB-CG1 4.44Å; L102-I300 HydrophobicContact CD1-CD1 4.5Å; L102-I300 HydrophobicContact CD1-CG1 3.88Å; A298-I300 PolarHBondContact O-N 2.89Å; I300-A302 VanDerWaalsContact C-N 3.29Å; I300-A302 PolarHBondContact O-N 3.33Å; I300-Y303 PolarHBondContact O-N 2.6Å; I300-L304 HydrophobicContact CG2-CD1 3.76Å; I300-L304 HydrophobicContact CG2-CG 4.15Å; I300-L304 PolarHBondContact O-N 2.61Å
301	P	98.8	Very high	98.7	Very high	53 Å²	53	29.3 Å²	29.3	34%	0.344	15%	0.146	S	C	.	.	H	α-helix	trans	-58	-35.5	173	-26.5	35	0	0	0	114.2	H233 Q237 E297 A298 P305	H233-P301 PolarHBondContact NE2-O 2.9Å; Q237-P301 HydrophobicContact CG-CB 4.44Å; E297-P301 WeakPolarHBondContact O-CD 3.49Å; A298-P301 WeakPolarHBondContact O-CD 3.44Å; P301-P305 WeakPolarHBondContact O-CD 3.41Å; P301-P305 VanDerWaalsContact O-CG 3.29Å; P301-P305 WeakPolarHBondContact O-CG 3.24Å
302	A	98.8	Very high	98.7	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-69.7	-39.1	179.7	0	0	0	0	0	112.6	H233 F234 Q237 A298 I299 I300 I306	H233-A302 PolarHBondContact CD2-O 3.31Å; F234-A302 HydrophobicContact CD2-CB 3.71Å; F234-A302 HydrophobicContact CE2-CB 3.99Å; F234-A302 HydrophobicContact CG-CB 4.49Å; Q237-A302 HydrophobicContact CB-CB 3.69Å; Q237-A302 HydrophobicContact CG-CB 4.19Å; A298-A302 WeakPolarHBondContact O-CB 3.39Å; A298-A302 PolarHBondContact O-N 2.84Å; I299-A302 PolarHBondContact O-N 2.82Å; I300-A302 VanDerWaalsContact C-N 3.29Å; I300-A302 PolarHBondContact O-N 3.33Å; A302-I306 VanDerWaalsContact O-CD1 3.3Å; A302-I306 WeakPolarHBondContact O-CD1 3.45Å
303	Y	98.9	Very high	98.6	Very high	2 Å²	2	38.1 Å²	38.1	1%	0.008	19%	0.189	C	C	.	.	H	α-helix	trans	-103.7	-47.7	-168.9	-177.2	-119.1	0	0	0	114.9	F139 I185 P187 P193 T195 L221 I299 I300 I306 V307	F139-Y303 HydrophobicContact CE1-CE1 4.48Å; I185-Y303 HydrophobicContact CB-CE1 4.22Å; I185-Y303 HydrophobicContact CD1-CD1 4.09Å; I185-Y303 HydrophobicContact CD1-CE1 3.72Å; I185-Y303 HydrophobicContact CG2-CE1 4.03Å; P187-Y303 WeakPolarHBondContact CG-OH 3.33Å; P193-Y303 HydrophobicContact CG-CE2 4.2Å; P193-Y303 WeakPolarHBondContact O-CE2 3.49Å; P193-Y303 PolarHBondContact O-OH 2.82Å; T195-Y303 HydrophobicContact CG2-CD1 3.53Å; T195-Y303 HydrophobicContact CG2-CD2 3.62Å; T195-Y303 HydrophobicContact CG2-CE1 3.5Å; T195-Y303 VanDerWaalsContact CG2-CE1 3.5Å; T195-Y303 HydrophobicContact CG2-CE2 3.58Å; T195-Y303 HydrophobicContact CG2-CG 3.6Å; L221-Y303 HydrophobicContact CD1-CD2 3.87Å; L221-Y303 HydrophobicContact CD1-CE2 4.07Å; I299-Y303 WeakPolarHBondContact O-CB 3.39Å; I299-Y303 PolarHBondContact O-N 3.01Å; I299-Y303 VanDerWaalsContact O-N 3.07Å; I300-Y303 PolarHBondContact O-N 2.6Å; Y303-I306 WeakPolarHBondContact O-CB 3.43Å; Y303-I306 PolarHBondContact O-N 3.16Å; Y303-V307 HydrophobicContact CD1-CG2 3.92Å; Y303-V307 HydrophobicContact CD2-CG2 4.4Å; Y303-V307 HydrophobicContact CE1-CG2 3.45Å; Y303-V307 VanDerWaalsContact CE1-CG2 3.45Å; Y303-V307 HydrophobicContact CE2-CG2 4Å; Y303-V307 HydrophobicContact CG-CG2 4.37Å; Y303-V307 PolarHBondContact O-N 3.24Å
304	L	98.8	Very high	98.6	Very high	13 Å²	13	43.8 Å²	43.8	7%	0.068	21%	0.214	C	C	.	.	H	α-helix	trans	-65.1	-34.7	-169.7	-61.8	-167.1	0	0	0	114.5	L102 E105 I109 I300 I306 V307 E308	L102-L304 HydrophobicContact CD1-CD2 4.47Å; E105-L304 HydrophobicContact CB-CD1 3.46Å; E105-L304 VanDerWaalsContact CB-CD1 3.46Å; E105-L304 HydrophobicContact CG-CD1 4.22Å; I109-L304 HydrophobicContact CD1-CB 4.25Å; I109-L304 HydrophobicContact CD1-CD1 4.06Å; I109-L304 HydrophobicContact CD1-CD2 4.03Å; I109-L304 HydrophobicContact CD1-CG 4.35Å; I300-L304 HydrophobicContact CG2-CD1 3.76Å; I300-L304 HydrophobicContact CG2-CG 4.15Å; I300-L304 PolarHBondContact O-N 2.61Å; L304-I306 PolarHBondContact O-N 3.07Å; L304-V307 HydrophobicContact CD2-CG2 4.46Å; L304-V307 WeakPolarHBondContact O-CB 3.42Å; L304-V307 PolarHBondContact O-N 3.33Å; L304-V307 VanDerWaalsContact O-N 3.13Å; L304-E308 PolarHBondContact O-N 3.01Å
305	P	98.8	Very high	98.6	Very high	65 Å²	65	47.3 Å²	47.3	42%	0.422	23%	0.226	S	C	.	.	H	α-helix	trans	-58.8	-34.3	172.3	-28	38.2	0	0	0	113.4	P301 K309	P301-P305 WeakPolarHBondContact O-CD 3.41Å; P301-P305 VanDerWaalsContact O-CG 3.29Å; P301-P305 WeakPolarHBondContact O-CG 3.24Å; P305-K309 VanDerWaalsContact O-CB 3.31Å; P305-K309 WeakPolarHBondContact O-CB 3.23Å; P305-K309 PolarHBondContact O-N 3.04Å; P305-K309 VanDerWaalsContact O-N 3.07Å
306	I	98.9	Very high	98.6	Very high	3 Å²	3	51 Å²	51	2%	0.015	25%	0.248	C	C	.	.	H	α-helix	trans	-67.3	-45	175.5	-58.7	168.9	0	0	0	109.7	P193 L221 D230 F234 A302 Y303 L304 E308 K309 R310	P193-I306 HydrophobicContact CG-CG2 3.83Å; L221-I306 HydrophobicContact CD2-CD1 4.06Å; D230-I306 HydrophobicContact CB-CD1 4.05Å; D230-I306 HydrophobicContact CB-CG1 4.08Å; D230-I306 HydrophobicContact CB-CG2 3.97Å; D230-I306 WeakPolarHBondContact O-CD1 3.27Å; F234-I306 HydrophobicContact CB-CD1 4.15Å; A302-I306 VanDerWaalsContact O-CD1 3.3Å; A302-I306 WeakPolarHBondContact O-CD1 3.45Å; Y303-I306 WeakPolarHBondContact O-CB 3.43Å; Y303-I306 PolarHBondContact O-N 3.16Å; L304-I306 PolarHBondContact O-N 3.07Å; I306-E308 PolarHBondContact O-N 2.88Å; I306-K309 PolarHBondContact O-N 2.89Å; I306-R310 HydrophobicContact CG2-CG 4.22Å; I306-R310 WeakPolarHBondContact O-CB 3.42Å; I306-R310 VanDerWaalsContact O-CG 3.25Å; I306-R310 WeakPolarHBondContact O-CG 3.37Å; I306-R310 PolarHBondContact O-N 3.16Å
307	V	98.9	Very high	98.5	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-57.6	-50.4	176.6	-178.4	0	0	0	0	110.9	I109 V138 F139 V192 Y303 L304 K309 R310 R311	I109-V307 HydrophobicContact CG2-CG1 4.02Å; V138-V307 HydrophobicContact CG1-CG1 3.74Å; F139-V307 HydrophobicContact CE1-CG1 3.96Å; F139-V307 HydrophobicContact CE1-CG2 4.22Å; F139-V307 HydrophobicContact CZ-CG1 3.75Å; F139-V307 HydrophobicContact CZ-CG2 4.45Å; V192-V307 HydrophobicContact CG1-CB 4.18Å; V192-V307 HydrophobicContact CG1-CG1 4.2Å; V192-V307 HydrophobicContact CG1-CG2 3.79Å; Y303-V307 HydrophobicContact CD1-CG2 3.92Å; Y303-V307 HydrophobicContact CD2-CG2 4.4Å; Y303-V307 HydrophobicContact CE1-CG2 3.45Å; Y303-V307 VanDerWaalsContact CE1-CG2 3.45Å; Y303-V307 HydrophobicContact CE2-CG2 4Å; Y303-V307 HydrophobicContact CG-CG2 4.37Å; Y303-V307 PolarHBondContact O-N 3.24Å; L304-V307 HydrophobicContact CD2-CG2 4.46Å; L304-V307 WeakPolarHBondContact O-CB 3.42Å; L304-V307 PolarHBondContact O-N 3.33Å; L304-V307 VanDerWaalsContact O-N 3.13Å; V307-K309 VanDerWaalsContact C-N 3.3Å; V307-K309 PolarHBondContact O-N 3.16Å; V307-R310 PolarHBondContact O-N 3.03Å; V307-R311 HydrophobicContact CG1-CB 4.49Å; V307-R311 WeakPolarHBondContact O-CB 3.39Å; V307-R311 WeakPolarHBondContact O-CG 3.32Å; V307-R311 PolarHBondContact O-N 3.16Å
308	E	98.6	Very high	98.4	Very high	87 Å²	87	61.1 Å²	61.1	41%	0.407	30%	0.297	S	S	.	.	H	α-helix	trans	-60.1	-41.4	-178	-167.1	60	-147.4	0	0	111.7	L304 I306 R311	L304-E308 PolarHBondContact O-N 3.01Å; I306-E308 PolarHBondContact O-N 2.88Å; E308-R311 VanDerWaalsContact CD-NH2 3.27Å; E308-R311 IonicContact OE1-CZ 3.18Å; E308-R311 VanDerWaalsContact OE1-CZ 3.27Å; E308-R311 IonicContact OE1-NE 3.55Å; E308-R311 PolarHBondContact OE1-NE 3.44Å; E308-R311 IonicContact OE1-NH2 2.96Å; E308-R311 PolarHBondContact OE1-NH2 3.2Å; E308-R311 IonicContact OE2-CZ 3.77Å; E308-R311 IonicContact OE2-NE 3.31Å; E308-R311 PolarHBondContact OE2-NE 3.5Å; E308-R311 IonicContact OE2-NH1 2.65Å; E308-R311 IonicContact OE2-NH2 2.9Å; E308-R311 PolarHBondContact OE2-NH2 3.43Å; E308-R311 VanDerWaalsContact OE2-NH2 3.12Å
309	K	98.6	Very high	98.4	Very high	109 Å²	109	61.4 Å²	61.4	47%	0.474	30%	0.297	S	S	.	.	H	α-helix	trans	-66.7	-35.7	178.5	-174	179.1	178.6	-169.7	0	113.2	E229 D230 P305 I306 V307	E229-K309 IonicContact OE1-NZ 3.77Å; E229-K309 PolarHBondContact OE1-NZ 3.37Å; D230-K309 IonicContact OD1-NZ 2.61Å; P305-K309 VanDerWaalsContact O-CB 3.31Å; P305-K309 WeakPolarHBondContact O-CB 3.23Å; P305-K309 PolarHBondContact O-N 3.04Å; P305-K309 VanDerWaalsContact O-N 3.07Å; I306-K309 PolarHBondContact O-N 2.89Å; V307-K309 VanDerWaalsContact C-N 3.3Å; V307-K309 PolarHBondContact O-N 3.16Å
310	R	98.6	Very high	98.3	Very high	18 Å²	18	63.1 Å²	63.1	7%	0.068	30%	0.303	C	S	.	.	H	α-helix	trans	-103.9	-23.7	-168.4	-56.7	-59	177.8	-172.8	-0.2	114.7	N189 Y191 V192 F227 E229 D230 I306 V307 H312 L313	N189-R310 PolarHBondContact ND2-O 2.9Å; Y191-R310 WeakPolarHBondContact O-CB 3.27Å; Y191-R310 WeakPolarHBondContact O-CG 3.43Å; V192-R310 HydrophobicContact CG2-CB 3.74Å; F227-R310 VanDerWaalsContact CD1-CZ 3.48Å; E229-R310 VanDerWaalsContact CD-NH2 3.26Å; E229-R310 IonicContact OE1-CZ 2.87Å; E229-R310 IonicContact OE1-NH1 2.83Å; E229-R310 IonicContact OE1-NH2 3.9Å; E229-R310 PolarHBondContact OE1-NH2 3.43Å; D230-R310 IonicContact OD1-CZ 3.54Å; D230-R310 IonicContact OD1-NE 3.95Å; D230-R310 PolarHBondContact OD1-NE 2.99Å; D230-R310 IonicContact OD1-NH2 2.82Å; D230-R310 PolarHBondContact OD1-NH2 3.14Å; D230-R310 IonicContact OD2-CZ 3.78Å; D230-R310 VanDerWaalsContact OD2-CZ 3.3Å; D230-R310 IonicContact OD2-NE 3.75Å; D230-R310 PolarHBondContact OD2-NE 3.48Å; D230-R310 IonicContact OD2-NH2 2.83Å; D230-R310 PolarHBondContact OD2-NH2 2.79Å; D230-R310 VanDerWaalsContact OD2-NH2 3.09Å; I306-R310 HydrophobicContact CG2-CG 4.22Å; I306-R310 WeakPolarHBondContact O-CB 3.42Å; I306-R310 VanDerWaalsContact O-CG 3.25Å; I306-R310 WeakPolarHBondContact O-CG 3.37Å; I306-R310 PolarHBondContact O-N 3.16Å; V307-R310 PolarHBondContact O-N 3.03Å; R310-H312 PolarHBondContact O-N 3.08Å; R310-L313 HydrophobicContact CB-CD1 4.35Å; R310-L313 WeakPolarHBondContact O-CB 3.47Å; R310-L313 WeakPolarHBondContact O-CG 3.46Å; R310-L313 PolarHBondContact O-N 3.12Å
311	R	98.1	Very high	98.3	Very high	35 Å²	35	65.2 Å²	65.2	13%	0.132	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-27.2	-170.4	64.1	-177.8	-174.3	157.1	-4.3	115.4	I109 V138 N189 V192 V307 E308	I109-R311 VanDerWaalsContact CG2-NH1 3.29Å; I109-R311 PolarHBondContact O-NH1 3Å; V138-R311 HydrophobicContact CG1-CB 3.91Å; V138-R311 HydrophobicContact CG2-CB 4.42Å; N189-R311 PolarHBondContact ND2-O 3.35Å; V192-R311 HydrophobicContact CG2-CB 4.28Å; V307-R311 HydrophobicContact CG1-CB 4.49Å; V307-R311 WeakPolarHBondContact O-CB 3.39Å; V307-R311 WeakPolarHBondContact O-CG 3.32Å; V307-R311 PolarHBondContact O-N 3.16Å; E308-R311 VanDerWaalsContact CD-NH2 3.27Å; E308-R311 IonicContact OE1-CZ 3.18Å; E308-R311 VanDerWaalsContact OE1-CZ 3.27Å; E308-R311 IonicContact OE1-NE 3.55Å; E308-R311 PolarHBondContact OE1-NE 3.44Å; E308-R311 IonicContact OE1-NH2 2.96Å; E308-R311 PolarHBondContact OE1-NH2 3.2Å; E308-R311 IonicContact OE2-CZ 3.77Å; E308-R311 IonicContact OE2-NE 3.31Å; E308-R311 PolarHBondContact OE2-NE 3.5Å; E308-R311 IonicContact OE2-NH1 2.65Å; E308-R311 IonicContact OE2-NH2 2.9Å; E308-R311 PolarHBondContact OE2-NH2 3.43Å; E308-R311 VanDerWaalsContact OE2-NH2 3.12Å
312	H	97.9	Very high	98.2	Very high	122 Å²	122	63 Å²	63	57%	0.565	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	1.1	-177.9	-60.3	-50.1	0	0	0	114.5	R310 K314	R310-H312 PolarHBondContact O-N 3.08Å; H312-K314 PolarHBondContact O-N 3.44Å
313	L	98.4	Very high	98.2	Very high	66 Å²	66	63 Å²	63	35%	0.346	30%	0.297	S	S	.	.			trans	-66.6	131.7	177.7	-66.4	178.5	0	0	0	110.4	N189 Y191 F227 R310	N189-L313 PolarHBondContact ND2-O 2.82Å; Y191-L313 HydrophobicContact CD2-CB 3.54Å; Y191-L313 HydrophobicContact CD2-CD1 4.24Å; Y191-L313 HydrophobicContact CE2-CB 4.19Å; Y191-L313 HydrophobicContact CG-CB 4.17Å; Y191-L313 HydrophobicContact CG-CD1 4.04Å; F227-L313 HydrophobicContact CZ-CD1 4.35Å; R310-L313 HydrophobicContact CB-CD1 4.35Å; R310-L313 WeakPolarHBondContact O-CB 3.47Å; R310-L313 WeakPolarHBondContact O-CG 3.46Å; R310-L313 PolarHBondContact O-N 3.12Å
314	K	98.4	Very high	98.2	Very high	199 Å²	199	63.6 Å²	63.6	87%	0.865	30%	0.301	S	S	*	.			trans	-70.8	132.6	178.8	-64.6	-178.6	-179.5	178.8	0	110.2	Y191 H312	Y191-K314 WeakPolarHBondContact CE2-O 3.07Å; H312-K314 PolarHBondContact O-N 3.44Å
315	Y	98.1	Very high	98.2	Very high	88 Å²	88	63.1 Å²	63.1	35%	0.345	30%	0.298	S	S	.	.			trans	-129.9	157.9	177	65.6	-87.4	0	0	0	110.4	N189 P190 R320	N189-Y315 HydrophobicContact CB-CE1 4.34Å; P190-Y315 HydrophobicContact CG-CD2 3.86Å; P190-Y315 HydrophobicContact CG-CE2 4.39Å; P190-Y315 HydrophobicContact CG-CG 4.02Å; Y315-R320 HydrophobicContact CD2-CB 4.3Å; Y315-R320 HydrophobicContact CE2-CB 4.26Å
316	T	98.1	Very high	98.1	Very high	78 Å²	78	60.4 Å²	60.4	48%	0.479	28%	0.279	S	S	.	.			trans	-108.6	-179.8	176.1	81	0	0	0	0	110.9	K318 E319 R320	T316-K318 PolarHBondContact O-N 2.9Å; T316-K318 PolarHBondContact OG1-N 2.9Å; T316-E319 VanDerWaalsContact CA-OE2 3.29Å; T316-E319 WeakPolarHBondContact CA-OE2 3.15Å; T316-E319 WeakPolarHBondContact CB-OE2 3.18Å; T316-E319 PolarHBondContact N-OE2 3.28Å; T316-E319 PolarHBondContact O-N 3.4Å; T316-E319 PolarHBondContact OG1-OE2 3.05Å; T316-R320 PolarHBondContact O-N 3.47Å; T316-R320 VanDerWaalsContact O-N 3.16Å
317	N	97.2	Very high	98.1	Very high	143 Å²	143	60.2 Å²	60.2	77%	0.765	28%	0.279	S	S	*	.	H	α-helix	trans	-60.3	-27.7	174	-69.3	-16.6	0	0	0	112.8	R320 E321	N317-R320 PolarHBondContact O-N 3.4Å; N317-E321 WeakPolarHBondContact O-CB 3.31Å; N317-E321 PolarHBondContact O-N 3.47Å
318	K	96.3	Very high	98.1	Very high	160 Å²	160	60.2 Å²	60.2	70%	0.696	28%	0.279	S	S	*	.	H	α-helix	trans	-66.4	-46.9	177.2	-68.3	-173.5	175.9	-174.4	0	111.7	T316 R320 E321 W322	T316-K318 PolarHBondContact O-N 2.9Å; T316-K318 PolarHBondContact OG1-N 2.9Å; K318-R320 VanDerWaalsContact C-N 3.29Å; K318-R320 PolarHBondContact O-N 2.57Å; K318-E321 PolarHBondContact O-N 3.13Å; K318-W322 PolarHBondContact O-N 3.37Å
319	E	97.9	Very high	98.1	Very high	15 Å²	15	57.9 Å²	57.9	7%	0.07	27%	0.266	C	S	.	.	H	α-helix	trans	-63.1	-38.3	175.6	-71.8	70.8	-159.1	0	0	112	P190 Y191 Y225 T316 W322 Q323 R376	P190-E319 HydrophobicContact CB-CB 4.05Å; P190-E319 HydrophobicContact CG-CB 3.98Å; Y191-E319 HydrophobicContact CE1-CG 4.47Å; Y191-E319 HydrophobicContact CE2-CG 4.49Å; Y191-E319 VanDerWaalsContact OH-CG 3.31Å; Y191-E319 WeakPolarHBondContact OH-CG 3.41Å; Y225-E319 HydrophobicContact CE2-CB 3.89Å; Y225-E319 HydrophobicContact CE2-CG 3.8Å; Y225-E319 VanDerWaalsContact OH-CA 3.32Å; Y225-E319 WeakPolarHBondContact OH-CA 3.26Å; Y225-E319 WeakPolarHBondContact OH-CG 3.36Å; T316-E319 VanDerWaalsContact CA-OE2 3.29Å; T316-E319 WeakPolarHBondContact CA-OE2 3.15Å; T316-E319 WeakPolarHBondContact CB-OE2 3.18Å; T316-E319 PolarHBondContact N-OE2 3.28Å; T316-E319 PolarHBondContact O-N 3.4Å; T316-E319 PolarHBondContact OG1-OE2 3.05Å; E319-W322 PolarHBondContact O-N 3.3Å; E319-Q323 WeakPolarHBondContact O-CB 3.21Å; E319-Q323 PolarHBondContact O-N 3.14Å; E319-R376 IonicContact OE1-CZ 3.09Å; E319-R376 IonicContact OE1-NH1 3.71Å; E319-R376 PolarHBondContact OE1-NH1 3.48Å; E319-R376 IonicContact OE1-NH2 3.85Å; E319-R376 PolarHBondContact OE1-NH2 2.99Å
320	R	97.9	Very high	98.1	Very high	41 Å²	41	52.9 Å²	52.9	16%	0.155	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-43.4	177.5	177.4	55.6	-178	-162.8	-6.3	111.9	E140 L188 P190 Y315 T316 N317 K318 W322 Q323 L324	E140-R320 IonicContact OE1-NH2 3.68Å; E140-R320 IonicContact OE2-CZ 3.18Å; E140-R320 IonicContact OE2-NH1 2.84Å; E140-R320 PolarHBondContact OE2-NH1 3.04Å; E140-R320 IonicContact OE2-NH2 2.65Å; E140-R320 PolarHBondContact OE2-NH2 2.94Å; L188-R320 PolarHBondContact O-NH1 2.72Å; P190-R320 HydrophobicContact CG-CB 4.5Å; Y315-R320 HydrophobicContact CD2-CB 4.3Å; Y315-R320 HydrophobicContact CE2-CB 4.26Å; T316-R320 PolarHBondContact O-N 3.47Å; T316-R320 VanDerWaalsContact O-N 3.16Å; N317-R320 PolarHBondContact O-N 3.4Å; K318-R320 VanDerWaalsContact C-N 3.29Å; K318-R320 PolarHBondContact O-N 2.57Å; R320-W322 VanDerWaalsContact C-N 3.34Å; R320-W322 PolarHBondContact O-N 3.27Å; R320-Q323 WeakPolarHBondContact O-CB 3.46Å; R320-Q323 PolarHBondContact O-N 3.38Å; R320-L324 WeakPolarHBondContact O-CG 3.46Å; R320-L324 PolarHBondContact O-N 3.48Å
321	E	97.5	Very high	98.1	Very high	72 Å²	72	52.8 Å²	52.8	34%	0.336	25%	0.245	S	C	.	.	H	α-helix	trans	-57.8	-48.3	174.4	-177.6	-178.1	-173.6	0	0	110.8	N317 K318 Q323 L324 V325 N366 Y369	N317-E321 WeakPolarHBondContact O-CB 3.31Å; N317-E321 PolarHBondContact O-N 3.47Å; K318-E321 PolarHBondContact O-N 3.13Å; E321-Q323 VanDerWaalsContact C-N 3.32Å; E321-Q323 PolarHBondContact O-N 2.92Å; E321-L324 PolarHBondContact O-N 3.34Å; E321-L324 VanDerWaalsContact O-N 3.07Å; E321-V325 WeakPolarHBondContact O-CG2 3.43Å; E321-V325 PolarHBondContact O-N 3.37Å; E321-N366 PolarHBondContact OE1-ND2 3.05Å; E321-Y369 HydrophobicContact CG-CE2 4.19Å
322	W	97.9	Very high	98.1	Very high	6 Å²	6	51.8 Å²	51.8	2%	0.023	24%	0.242	C	C	.	.	H	α-helix	trans	-58	-44	176.7	173.4	-119.5	0	0	0	112.6	Y224 Y225 K318 E319 R320 L324 V325 R326 Y369 N377 I381	Y224-W322 PolarHBondContact O-NE1 3.26Å; Y225-W322 AromaticContact CE1-CD1 3.99Å; Y225-W322 AromaticContact CE2-CD1 3.8Å; Y225-W322 AromaticContact CZ-CD1 3.52Å; K318-W322 PolarHBondContact O-N 3.37Å; E319-W322 PolarHBondContact O-N 3.3Å; R320-W322 VanDerWaalsContact C-N 3.34Å; R320-W322 PolarHBondContact O-N 3.27Å; W322-L324 VanDerWaalsContact C-N 3.31Å; W322-L324 PolarHBondContact O-N 3.48Å; W322-V325 HydrophobicContact CE3-CB 4.45Å; W322-V325 HydrophobicContact CE3-CG1 4.45Å; W322-V325 HydrophobicContact CZ3-CG1 4.35Å; W322-V325 PolarHBondContact O-N 2.97Å; W322-R326 HydrophobicContact CD2-CG 3.95Å; W322-R326 HydrophobicContact CE3-CG 4.27Å; W322-R326 HydrophobicContact CH2-CG 3.95Å; W322-R326 HydrophobicContact CZ2-CG 3.59Å; W322-R326 HydrophobicContact CZ3-CG 4.27Å; W322-R326 PolarHBondContact O-N 3.23Å; W322-Y369 HydrophobicContact CE3-CD1 4.47Å; W322-Y369 AromaticContact CE3-CE1 3.57Å; W322-Y369 HydrophobicContact CE3-CE1 3.57Å; W322-Y369 HydrophobicContact CZ3-CD1 4.32Å; W322-Y369 AromaticContact CZ3-CE1 3.78Å; W322-Y369 HydrophobicContact CZ3-CE1 3.78Å; W322-N377 VanDerWaalsContact CD1-OD1 3.28Å; W322-N377 HydrophobicContact CD2-CB 4.33Å; W322-N377 VanDerWaalsContact CE2-CG 3.45Å; W322-N377 HydrophobicContact CH2-CB 4.09Å; W322-N377 HydrophobicContact CZ2-CB 3.7Å; W322-N377 PolarHBondContact NE1-OD1 3.23Å; W322-I381 HydrophobicContact CH2-CD1 3.92Å; W322-I381 HydrophobicContact CH2-CG1 4.2Å
323	Q	98.5	Very high	98.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55.3	-45.7	173.8	-174.4	-170	35.7	0	0	111.9	P187 L188 P190 Y224 E319 R320 E321 R326 R327	P187-Q323 PolarHBondContact O-NE2 3.23Å; L188-Q323 PolarHBondContact O-NE2 2.72Å; L188-Q323 PolarHBondContact O-OE1 2.68Å; P190-Q323 HydrophobicContact CB-CB 4.04Å; P190-Q323 HydrophobicContact CB-CG 4.44Å; P190-Q323 HydrophobicContact CG-CB 4.11Å; Y224-Q323 HydrophobicContact CD1-CB 4.41Å; Y224-Q323 HydrophobicContact CD1-CG 3.88Å; Y224-Q323 HydrophobicContact CD2-CG 3.7Å; Y224-Q323 HydrophobicContact CE1-CG 3.81Å; Y224-Q323 HydrophobicContact CE2-CG 3.61Å; Y224-Q323 HydrophobicContact CG-CB 4.28Å; Y224-Q323 HydrophobicContact CG-CG 3.79Å; E319-Q323 WeakPolarHBondContact O-CB 3.21Å; E319-Q323 PolarHBondContact O-N 3.14Å; R320-Q323 WeakPolarHBondContact O-CB 3.46Å; R320-Q323 PolarHBondContact O-N 3.38Å; E321-Q323 VanDerWaalsContact C-N 3.32Å; E321-Q323 PolarHBondContact O-N 2.92Å; Q323-R326 PolarHBondContact O-N 2.86Å; Q323-R327 WeakPolarHBondContact O-CB 3.14Å; Q323-R327 VanDerWaalsContact O-CG 3.31Å; Q323-R327 WeakPolarHBondContact O-CG 3.38Å; Q323-R327 PolarHBondContact O-N 3.38Å
324	L	98.7	Very high	98	Very high	16 Å²	16	43.2 Å²	43.2	8%	0.084	20%	0.201	C	C	.	.	H	α-helix	trans	-66.8	-37.8	-179.6	-65.6	178.3	0	0	0	112.3	R320 E321 W322 R327 G328 Y362 Q364	R320-L324 WeakPolarHBondContact O-CG 3.46Å; R320-L324 PolarHBondContact O-N 3.48Å; E321-L324 PolarHBondContact O-N 3.34Å; E321-L324 VanDerWaalsContact O-N 3.07Å; W322-L324 VanDerWaalsContact C-N 3.31Å; W322-L324 PolarHBondContact O-N 3.48Å; L324-R327 PolarHBondContact O-N 3.4Å; L324-G328 PolarHBondContact O-N 2.83Å; L324-Y362 WeakPolarHBondContact CD2-O 2.84Å; L324-Q364 HydrophobicContact CB-CB 3.99Å; L324-Q364 HydrophobicContact CB-CG 3.87Å; L324-Q364 HydrophobicContact CD1-CG 4.07Å; L324-Q364 PolarHBondContact O-N 3.31Å
325	V	98.1	Very high	97.9	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	18%	0.179	C	C	.	.	H	α-helix	trans	-63.9	-45.9	173.4	172.1	0	0	0	0	111.1	E321 W322 R327 G328 R329 Y369	E321-V325 WeakPolarHBondContact O-CG2 3.43Å; E321-V325 PolarHBondContact O-N 3.37Å; W322-V325 HydrophobicContact CE3-CB 4.45Å; W322-V325 HydrophobicContact CE3-CG1 4.45Å; W322-V325 HydrophobicContact CZ3-CG1 4.35Å; W322-V325 PolarHBondContact O-N 2.97Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 2.91Å; V325-G328 WeakPolarHBondContact O-CA 3.48Å; V325-G328 PolarHBondContact O-N 3.26Å; V325-R329 PolarHBondContact O-N 2.83Å; V325-Y369 HydrophobicContact CG1-CD1 3.99Å; V325-Y369 HydrophobicContact CG1-CE1 4.32Å; V325-Y369 HydrophobicContact CG1-CG 4.29Å; V325-Y369 HydrophobicContact CG2-CD1 4.4Å; V325-Y369 HydrophobicContact CG2-CD2 4.02Å; V325-Y369 HydrophobicContact CG2-CE1 4.4Å; V325-Y369 HydrophobicContact CG2-CE2 4.01Å; V325-Y369 HydrophobicContact CG2-CG 4.2Å
326	R	98.3	Very high	97.8	Very high	7 Å²	7	36.9 Å²	36.9	3%	0.026	18%	0.181	C	C	.	.	H	α-helix	trans	-64.9	-35.9	175.6	-72.8	-51.1	-52.3	169.7	6	112.7	Y224 E268 W322 Q323 G328 R329 Y330	Y224-R326 HydrophobicContact CD1-CB 3.63Å; Y224-R326 HydrophobicContact CD1-CG 4.33Å; Y224-R326 HydrophobicContact CE1-CB 4.13Å; E268-R326 IonicContact OE1-CZ 3.57Å; E268-R326 IonicContact OE1-NH1 3.65Å; E268-R326 PolarHBondContact OE1-NH1 2.88Å; E268-R326 IonicContact OE1-NH2 3.39Å; E268-R326 PolarHBondContact OE1-NH2 2.95Å; E268-R326 IonicContact OE2-NH1 2.86Å; E268-R326 PolarHBondContact OE2-NH1 2.88Å; W322-R326 HydrophobicContact CD2-CG 3.95Å; W322-R326 HydrophobicContact CE3-CG 4.27Å; W322-R326 HydrophobicContact CH2-CG 3.95Å; W322-R326 HydrophobicContact CZ2-CG 3.59Å; W322-R326 HydrophobicContact CZ3-CG 4.27Å; W322-R326 PolarHBondContact O-N 3.23Å; Q323-R326 PolarHBondContact O-N 2.86Å; R326-G328 PolarHBondContact O-N 3.37Å; R326-R329 WeakPolarHBondContact O-CA 3.43Å; R326-R329 VanDerWaalsContact O-CB 3.29Å; R326-R329 WeakPolarHBondContact O-CB 3.46Å; R326-R329 PolarHBondContact O-N 2.83Å; R326-Y330 PolarHBondContact O-N 3.01Å
327	R	98.6	Very high	97.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-31.1	170.6	-79.3	175.3	172.1	-161.3	3.6	112.3	E140 P187 Y224 Q323 L324 V325 R329 Y330 V331 P360 Y362 A363	E140-R327 IonicContact OE1-CZ 3.35Å; E140-R327 IonicContact OE1-NH1 3.17Å; E140-R327 PolarHBondContact OE1-NH1 2.96Å; E140-R327 IonicContact OE1-NH2 3.83Å; E140-R327 IonicContact OE2-NH1 2.68Å; P187-R327 PolarHBondContact O-NH2 2.84Å; Y224-R327 HydrophobicContact CE1-CG 3.77Å; Y224-R327 WeakPolarHBondContact OH-CG 3.26Å; Y224-R327 PolarHBondContact OH-NE 2.81Å; Q323-R327 WeakPolarHBondContact O-CB 3.14Å; Q323-R327 VanDerWaalsContact O-CG 3.31Å; Q323-R327 WeakPolarHBondContact O-CG 3.38Å; Q323-R327 PolarHBondContact O-N 3.38Å; L324-R327 PolarHBondContact O-N 3.4Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 2.91Å; R327-R329 VanDerWaalsContact C-N 3.26Å; R327-R329 PolarHBondContact O-N 3.39Å; R327-Y330 WeakPolarHBondContact O-CB 3.15Å; R327-Y330 PolarHBondContact O-N 2.85Å; R327-Y330 VanDerWaalsContact O-N 3.1Å; R327-V331 WeakPolarHBondContact O-CG2 3.16Å; R327-V331 PolarHBondContact O-N 3.46Å; R327-P360 HydrophobicContact CB-CB 4.34Å; R327-P360 HydrophobicContact CB-CG 3.95Å; R327-P360 HydrophobicContact CG-CB 4.17Å; R327-P360 HydrophobicContact CG-CG 4.25Å; R327-Y362 VanDerWaalsContact CD-O 3.32Å; R327-Y362 WeakPolarHBondContact CD-O 3.32Å; R327-Y362 PolarHBondContact NH1-O 3.27Å; R327-A363 HydrophobicContact CB-CB 4.1Å
328	G	98.4	Very high	97.6	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-55.1	-40.9	167.9	0	0	0	0	0	112.3	L324 V325 R326 V331 E332	L324-G328 PolarHBondContact O-N 2.83Å; V325-G328 WeakPolarHBondContact O-CA 3.48Å; V325-G328 PolarHBondContact O-N 3.26Å; R326-G328 PolarHBondContact O-N 3.37Å; G328-V331 PolarHBondContact O-N 3.08Å; G328-E332 WeakPolarHBondContact O-CB 3.26Å; G328-E332 VanDerWaalsContact O-CG 3.28Å; G328-E332 WeakPolarHBondContact O-CG 3.37Å; G328-E332 PolarHBondContact O-N 2.96Å
329	R	98.1	Very high	97.3	Very high	38 Å²	38	28.4 Å²	28.4	14%	0.143	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-39.4	173.9	-54.3	-61.1	177	-100.1	-10.2	112.5	L263 R266 V325 R326 R327 V331 E332 F333	L263-R329 HydrophobicContact CD2-CB 4.02Å; L263-R329 WeakPolarHBondContact CD2-O 3.38Å; R266-R329 VanDerWaalsContact NH2-NH1 3.19Å; V325-R329 PolarHBondContact O-N 2.83Å; R326-R329 WeakPolarHBondContact O-CA 3.43Å; R326-R329 VanDerWaalsContact O-CB 3.29Å; R326-R329 WeakPolarHBondContact O-CB 3.46Å; R326-R329 PolarHBondContact O-N 2.83Å; R327-R329 VanDerWaalsContact C-N 3.26Å; R327-R329 PolarHBondContact O-N 3.39Å; R329-V331 VanDerWaalsContact C-N 3.33Å; R329-V331 PolarHBondContact O-N 3.39Å; R329-E332 VanDerWaalsContact CD-OE2 3.31Å; R329-E332 WeakPolarHBondContact CD-OE2 3.41Å; R329-E332 IonicContact CZ-OE1 3.73Å; R329-E332 IonicContact NE-OE2 2.77Å; R329-E332 IonicContact NH1-OE1 3.66Å; R329-E332 PolarHBondContact NH1-OE1 3.15Å; R329-E332 IonicContact NH1-OE2 3.47Å; R329-E332 PolarHBondContact O-N 3.16Å; R329-F333 PolarHBondContact O-N 2.8Å
330	Y	98.4	Very high	96.7	Very high	4 Å²	4	30 Å²	30	2%	0.016	15%	0.148	C	C	.	.	H	α-helix	trans	-59.9	-44.8	174.4	-164.8	-81.9	0	0	0	111.5	V184 H186 T194 T222 R270 R326 R327 F333 N334 S358	V184-Y330 HydrophobicContact CG1-CE1 4.2Å; V184-Y330 VanDerWaalsContact CG1-OH 3.3Å; V184-Y330 WeakPolarHBondContact CG1-OH 3.49Å; H186-Y330 AromaticContact CE1-CD1 3.87Å; H186-Y330 AromaticContact CE1-CE1 3.73Å; T194-Y330 HydrophobicContact CG2-CD2 4.16Å; T194-Y330 HydrophobicContact CG2-CE2 3.7Å; T222-Y330 HydrophobicContact CG2-CD2 4.32Å; R270-Y330 HydrophobicContact CG-CD2 3.99Å; R326-Y330 PolarHBondContact O-N 3.01Å; R327-Y330 WeakPolarHBondContact O-CB 3.15Å; R327-Y330 PolarHBondContact O-N 2.85Å; R327-Y330 VanDerWaalsContact O-N 3.1Å; Y330-F333 PolarHBondContact O-N 3.09Å; Y330-N334 WeakPolarHBondContact CE1-ND2 3.49Å; Y330-N334 PolarHBondContact O-N 3.1Å; Y330-N334 PolarHBondContact O-OD1 3.36Å; Y330-S358 WeakPolarHBondContact CE1-O 3.24Å
331	V	98.4	Very high	96.3	Very high	15 Å²	15	28.4 Å²	28.4	9%	0.091	14%	0.143	C	C	.	.	H	α-helix	trans	-64.5	-46.4	176.2	176.8	0	0	0	0	111.7	R327 G328 R329 F333 N334 L335 L359 P360 A363 W365	R327-V331 WeakPolarHBondContact O-CG2 3.16Å; R327-V331 PolarHBondContact O-N 3.46Å; G328-V331 PolarHBondContact O-N 3.08Å; R329-V331 VanDerWaalsContact C-N 3.33Å; R329-V331 PolarHBondContact O-N 3.39Å; V331-F333 VanDerWaalsContact C-N 3.3Å; V331-F333 PolarHBondContact O-N 2.83Å; V331-N334 PolarHBondContact O-N 3.45Å; V331-L335 HydrophobicContact CG1-CD1 3.68Å; V331-L335 HydrophobicContact CG1-CG 4.24Å; V331-L335 PolarHBondContact O-N 3.46Å; V331-L359 HydrophobicContact CG1-CD2 4.42Å; V331-L359 HydrophobicContact CG2-CD2 4.36Å; V331-P360 HydrophobicContact CG2-CG 3.7Å; V331-A363 HydrophobicContact CG2-CB 4.1Å; V331-W365 HydrophobicContact CB-CH2 4.04Å; V331-W365 HydrophobicContact CB-CZ2 3.96Å; V331-W365 HydrophobicContact CG1-CH2 3.85Å; V331-W365 HydrophobicContact CG1-CZ2 3.92Å; V331-W365 HydrophobicContact CG2-CH2 4.33Å
332	E	98.2	Very high	95.8	Very high	15 Å²	15	30.1 Å²	30.1	7%	0.07	15%	0.149	C	C	.	.	H	α-helix	trans	-52.9	-48.7	175.6	-76.7	168.6	-158.3	0	0	110.5	L263 H265 R266 G328 R329 I336 W365	L263-E332 HydrophobicContact CD2-CB 4.17Å; H265-E332 IonicContact CE1-OE2 2.87Å; H265-E332 IonicContact NE2-OE2 3.64Å; H265-E332 PolarHBondContact NE2-OE2 2.93Å; R266-E332 IonicContact CZ-OE1 3.47Å; R266-E332 IonicContact CZ-OE2 2.74Å; R266-E332 IonicContact NE-OE1 2.81Å; R266-E332 IonicContact NE-OE2 3.69Å; R266-E332 PolarHBondContact NE-OE2 3.18Å; R266-E332 IonicContact NH2-OE1 3.91Å; R266-E332 PolarHBondContact NH2-OE1 3.37Å; R266-E332 IonicContact NH2-OE2 2.88Å; R266-E332 PolarHBondContact NH2-OE2 2.86Å; G328-E332 WeakPolarHBondContact O-CB 3.26Å; G328-E332 VanDerWaalsContact O-CG 3.28Å; G328-E332 WeakPolarHBondContact O-CG 3.37Å; G328-E332 PolarHBondContact O-N 2.96Å; R329-E332 VanDerWaalsContact CD-OE2 3.31Å; R329-E332 WeakPolarHBondContact CD-OE2 3.41Å; R329-E332 IonicContact CZ-OE1 3.73Å; R329-E332 IonicContact NE-OE2 2.77Å; R329-E332 IonicContact NH1-OE1 3.66Å; R329-E332 PolarHBondContact NH1-OE1 3.15Å; R329-E332 IonicContact NH1-OE2 3.47Å; R329-E332 PolarHBondContact O-N 3.16Å; E332-I336 HydrophobicContact CB-CD1 4.29Å; E332-I336 WeakPolarHBondContact O-CB 2.94Å; E332-I336 WeakPolarHBondContact O-CD1 3.33Å; E332-I336 WeakPolarHBondContact O-CG1 3.17Å; E332-I336 PolarHBondContact O-N 2.89Å; E332-W365 PolarHBondContact OE1-NE1 3.06Å
333	F	98.2	Very high	95.2	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.009	18%	0.176	C	C	.	.	H	α-helix	trans	-61.8	-51.4	177.7	-179.5	-89.1	0	0	0	112.6	Y260 F261 L263 R270 R329 Y330 V331 L335 I336 Y337 D338	Y260-F333 HydrophobicContact CD1-CZ 4.42Å; Y260-F333 HydrophobicContact CE1-CZ 4.27Å; Y260-F333 VanDerWaalsContact O-CE2 3.26Å; Y260-F333 WeakPolarHBondContact O-CE2 3.48Å; Y260-F333 VanDerWaalsContact O-CZ 3.29Å; Y260-F333 WeakPolarHBondContact O-CZ 3.36Å; F261-F333 HydrophobicContact CB-CZ 4.44Å; F261-F333 HydrophobicContact CD1-CD1 4.23Å; F261-F333 AromaticContact CD1-CE1 3.46Å; F261-F333 HydrophobicContact CD1-CE1 3.46Å; F261-F333 VanDerWaalsContact CD1-CE1 3.46Å; F261-F333 HydrophobicContact CD1-CE2 4.35Å; F261-F333 AromaticContact CD1-CZ 3.53Å; F261-F333 HydrophobicContact CD1-CZ 3.53Å; F261-F333 AromaticContact CE1-CE1 3.86Å; F261-F333 HydrophobicContact CE1-CE1 3.86Å; F261-F333 HydrophobicContact CE1-CZ 4.19Å; F261-F333 HydrophobicContact CG-CZ 4.33Å; L263-F333 HydrophobicContact CD1-CB 4.12Å; L263-F333 HydrophobicContact CD1-CD2 4.18Å; L263-F333 HydrophobicContact CD2-CB 4.4Å; L263-F333 HydrophobicContact CG-CB 4.08Å; L263-F333 HydrophobicContact CG-CD2 4.29Å; R270-F333 HydrophobicContact CG-CB 4.34Å; R329-F333 PolarHBondContact O-N 2.8Å; Y330-F333 PolarHBondContact O-N 3.09Å; V331-F333 VanDerWaalsContact C-N 3.3Å; V331-F333 PolarHBondContact O-N 2.83Å; F333-L335 VanDerWaalsContact C-N 3.34Å; F333-L335 PolarHBondContact O-N 3.37Å; F333-I336 PolarHBondContact O-N 3.01Å; F333-Y337 HydrophobicContact CD2-CD2 4.03Å; F333-Y337 HydrophobicContact CD2-CG 4.46Å; F333-Y337 WeakPolarHBondContact O-CA 3.46Å; F333-Y337 PolarHBondContact O-N 3.2Å; F333-D338 HydrophobicContact CD1-CB 4.22Å; F333-D338 HydrophobicContact CE1-CB 3.83Å; F333-D338 PolarHBondContact O-N 2.84Å
334	N	96.9	Very high	94.6	Very high	5 Å²	5	36.8 Å²	36.8	3%	0.027	18%	0.182	C	C	.	.	H	α-helix	trans	-62.9	-40.7	-173.9	-78.6	30.9	0	0	0	112.2	R270 Y330 V331 D338 T341 L359	R270-N334 PolarHBondContact NH1-OD1 3.25Å; Y330-N334 WeakPolarHBondContact CE1-ND2 3.49Å; Y330-N334 PolarHBondContact O-N 3.1Å; Y330-N334 PolarHBondContact O-OD1 3.36Å; V331-N334 PolarHBondContact O-N 3.45Å; N334-D338 WeakPolarHBondContact O-CB 3.3Å; N334-T341 VanDerWaalsContact O-CB 3.3Å; N334-T341 WeakPolarHBondContact O-CB 3.19Å; N334-T341 WeakPolarHBondContact O-CG2 3.38Å; N334-L359 HydrophobicContact CB-CD2 3.87Å
335	L	96.4	Very high	94.1	Very high	79 Å²	79	39.8 Å²	39.8	41%	0.414	20%	0.197	S	C	.	.	H	α-helix	trans	-82.4	-28.4	-178	-63.5	-178.8	0	0	0	113.1	V331 F333 T341 L359	V331-L335 HydrophobicContact CG1-CD1 3.68Å; V331-L335 HydrophobicContact CG1-CG 4.24Å; V331-L335 PolarHBondContact O-N 3.46Å; F333-L335 VanDerWaalsContact C-N 3.34Å; F333-L335 PolarHBondContact O-N 3.37Å; L335-T341 HydrophobicContact CD2-CG2 4.29Å; L335-L359 HydrophobicContact CD1-CD1 4.38Å; L335-L359 HydrophobicContact CD2-CD1 4.19Å; L335-L359 HydrophobicContact CD2-CD2 4.48Å; L335-L359 HydrophobicContact CG-CD1 4.48Å; L335-L359 HydrophobicContact CG-CD2 4.42Å
336	I	96.7	Very high	93.5	Very high	76 Å²	76	43.6 Å²	43.6	39%	0.39	23%	0.229	S	C	.	.	H	α-helix	trans	-98.3	-34.1	-174.2	-57.3	170	0	0	0	112.8	E332 F333 K342	E332-I336 HydrophobicContact CB-CD1 4.29Å; E332-I336 WeakPolarHBondContact O-CB 2.94Å; E332-I336 WeakPolarHBondContact O-CD1 3.33Å; E332-I336 WeakPolarHBondContact O-CG1 3.17Å; E332-I336 PolarHBondContact O-N 2.89Å; F333-I336 PolarHBondContact O-N 3.01Å; I336-K342 VanDerWaalsContact C-CE 3.5Å; I336-K342 WeakPolarHBondContact O-CE 3.3Å; I336-K342 PolarHBondContact O-NZ 2.98Å
337	Y	96.1	Very high	92.7	Very high	68 Å²	68	44.8 Å²	44.8	27%	0.267	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-34.2	-168.7	-60.5	-60.4	0	0	0	114.4	H265 F333 R339	H265-Y337 AromaticContact CE1-CE2 3.62Å; H265-Y337 PolarHBondContact N-OH 2.6Å; H265-Y337 AromaticContact ND1-CE2 3.3Å; H265-Y337 VanDerWaalsContact ND1-CE2 3.3Å; H265-Y337 WeakPolarHBondContact ND1-CE2 3.36Å; H265-Y337 AromaticContact ND1-CZ 3.46Å; H265-Y337 PolarHBondContact ND1-OH 3.12Å; F333-Y337 HydrophobicContact CD2-CD2 4.03Å; F333-Y337 HydrophobicContact CD2-CG 4.46Å; F333-Y337 WeakPolarHBondContact O-CA 3.46Å; F333-Y337 PolarHBondContact O-N 3.2Å; Y337-R339 PolarHBondContact O-N 3.46Å; Y337-R339 VanDerWaalsContact O-N 3.11Å
338	D	94.5	Very high	91.8	Very high	26 Å²	26	49.8 Å²	49.8	14%	0.139	27%	0.27	C	S	.	.			trans	-61.3	119.4	-173.6	179.7	44.8	0	0	0	112.3	Y260 F333 N334 G340 T341 K342	Y260-D338 PolarHBondContact OH-OD1 3.13Å; Y260-D338 VanDerWaalsContact OH-OD1 3.08Å; F333-D338 HydrophobicContact CD1-CB 4.22Å; F333-D338 HydrophobicContact CE1-CB 3.83Å; F333-D338 PolarHBondContact O-N 2.84Å; N334-D338 WeakPolarHBondContact O-CB 3.3Å; D338-G340 VanDerWaalsContact C-N 3.3Å; D338-G340 PolarHBondContact O-N 3.04Å; D338-G340 PolarHBondContact OD1-N 2.86Å; D338-T341 PolarHBondContact O-N 3.26Å; D338-T341 WeakPolarHBondContact OD2-CB 3.31Å; D338-T341 PolarHBondContact OD2-N 3.45Å; D338-T341 PolarHBondContact OD2-OG1 2.86Å; D338-K342 WeakPolarHBondContact O-CG 3.42Å; D338-K342 PolarHBondContact O-N 2.94Å; D338-K342 VanDerWaalsContact O-N 3.14Å
339	R	89.9	Confident	91	Very high	109 Å²	109	54.3 Å²	54.3	41%	0.411	29%	0.291	S	S	.	.	H	α-helix	trans	-64	-38.9	-178.5	-65.2	-174.5	-66.1	169.4	-0.1	111.1	Y260 D278 Y337 F343	Y260-R339 HydrophobicContact CE2-CG 4.45Å; Y260-R339 VanDerWaalsContact CE2-NE 3.33Å; Y260-R339 PolarHBondContact OH-N 3.24Å; D278-R339 IonicContact OD2-CZ 2.69Å; D278-R339 IonicContact OD2-NH1 2.81Å; D278-R339 IonicContact OD2-NH2 3.72Å; D278-R339 PolarHBondContact OD2-NH2 2.88Å; Y337-R339 PolarHBondContact O-N 3.46Å; Y337-R339 VanDerWaalsContact O-N 3.11Å; R339-F343 VanDerWaalsContact O-CB 3.22Å; R339-F343 WeakPolarHBondContact O-CB 3.22Å; R339-F343 PolarHBondContact O-N 3.12Å
340	G	85.6	Confident	90.4	Very high	47 Å²	47	53.7 Å²	53.7	49%	0.485	29%	0.294	S	S	.	.	H	α-helix	trans	-63.5	-47.6	-179.2	0	0	0	0	0	112.1	D338 F343 G344	D338-G340 VanDerWaalsContact C-N 3.3Å; D338-G340 PolarHBondContact O-N 3.04Å; D338-G340 PolarHBondContact OD1-N 2.86Å; G340-F343 PolarHBondContact O-N 3.37Å; G340-G344 PolarHBondContact O-N 3.36Å
341	T	88.3	Confident	90.1	Very high	9 Å²	9	58.4 Å²	58.4	6%	0.055	31%	0.311	C	S	.	.	H	α-helix	trans	-62.4	-48.1	177.9	-59.4	0	0	0	0	111.6	N334 L335 D338 F343 G344 L345 I355	N334-T341 VanDerWaalsContact O-CB 3.3Å; N334-T341 WeakPolarHBondContact O-CB 3.19Å; N334-T341 WeakPolarHBondContact O-CG2 3.38Å; L335-T341 HydrophobicContact CD2-CG2 4.29Å; D338-T341 PolarHBondContact O-N 3.26Å; D338-T341 WeakPolarHBondContact OD2-CB 3.31Å; D338-T341 PolarHBondContact OD2-N 3.45Å; D338-T341 PolarHBondContact OD2-OG1 2.86Å; T341-F343 PolarHBondContact O-N 3.31Å; T341-G344 PolarHBondContact O-N 2.89Å; T341-L345 HydrophobicContact CG2-CD1 3.98Å; T341-L345 HydrophobicContact CG2-CG 4.48Å; T341-L345 VanDerWaalsContact O-CG 3.32Å; T341-L345 WeakPolarHBondContact O-CG 3.19Å; T341-L345 PolarHBondContact O-N 3.02Å; T341-I355 HydrophobicContact CG2-CG2 4.18Å
342	K	88	Confident	89.8	Confident	107 Å²	107	61.2 Å²	61.2	47%	0.465	33%	0.325	S	S	.	.	H	α-helix	trans	-59.8	-47.8	177.2	-73.9	-178.4	178.6	-180	0	112.6	I336 D338 G344 L345 A346	I336-K342 VanDerWaalsContact C-CE 3.5Å; I336-K342 WeakPolarHBondContact O-CE 3.3Å; I336-K342 PolarHBondContact O-NZ 2.98Å; D338-K342 WeakPolarHBondContact O-CG 3.42Å; D338-K342 PolarHBondContact O-N 2.94Å; D338-K342 VanDerWaalsContact O-N 3.14Å; K342-G344 VanDerWaalsContact C-N 3.35Å; K342-L345 PolarHBondContact O-N 3.33Å; K342-A346 WeakPolarHBondContact O-CB 3.39Å; K342-A346 PolarHBondContact O-N 3.15Å
343	F	85	Confident	89.6	Confident	136 Å²	136	66.6 Å²	66.6	60%	0.596	35%	0.351	S	S	*	.	H	α-helix	trans	-62.3	-44.2	179	178	-95.2	0	0	0	111.3	R339 G340 T341 L345 A346 T347	R339-F343 VanDerWaalsContact O-CB 3.22Å; R339-F343 WeakPolarHBondContact O-CB 3.22Å; R339-F343 PolarHBondContact O-N 3.12Å; G340-F343 PolarHBondContact O-N 3.37Å; T341-F343 PolarHBondContact O-N 3.31Å; F343-L345 PolarHBondContact O-N 3.12Å; F343-A346 PolarHBondContact O-N 3.01Å; F343-T347 WeakPolarHBondContact O-CB 3.5Å; F343-T347 PolarHBondContact O-N 2.98Å; F343-T347 PolarHBondContact O-OG1 2.88Å
344	G	85.6	Confident	89.4	Confident	11 Å²	11	67.3 Å²	67.3	11%	0.113	36%	0.356	C	S	.	.	H	α-helix	trans	-58.6	-48.5	176.6	0	0	0	0	0	112.1	G340 T341 K342 A346 T347 A350 I355	G340-G344 PolarHBondContact O-N 3.36Å; T341-G344 PolarHBondContact O-N 2.89Å; K342-G344 VanDerWaalsContact C-N 3.35Å; G344-A346 VanDerWaalsContact C-N 3.29Å; G344-A346 PolarHBondContact O-N 2.93Å; G344-T347 PolarHBondContact O-N 3.44Å; G344-A350 WeakPolarHBondContact O-CB 3.24Å; G344-I355 WeakPolarHBondContact O-CD1 3.43Å
345	L	88.7	Confident	89.2	Confident	78 Å²	78	68.5 Å²	68.5	41%	0.408	36%	0.362	S	S	.	.	H	α-helix	trans	-68.2	-27.2	-179.2	-67.4	174.3	0	0	0	113.3	T341 K342 F343 I352 I355	T341-L345 HydrophobicContact CG2-CD1 3.98Å; T341-L345 HydrophobicContact CG2-CG 4.48Å; T341-L345 VanDerWaalsContact O-CG 3.32Å; T341-L345 WeakPolarHBondContact O-CG 3.19Å; T341-L345 PolarHBondContact O-N 3.02Å; K342-L345 PolarHBondContact O-N 3.33Å; F343-L345 PolarHBondContact O-N 3.12Å; L345-I352 HydrophobicContact CD2-CD1 4.12Å; L345-I352 HydrophobicContact CD2-CG2 4.49Å; L345-I355 HydrophobicContact CD2-CD1 4.44Å; L345-I355 HydrophobicContact CD2-CG2 4.03Å; L345-I355 HydrophobicContact CG-CG2 4.12Å
346	A	84.6	Confident	89.2	Confident	83 Å²	83	67.7 Å²	67.7	69%	0.686	36%	0.357	S	S	*	.	H	α-helix	trans	-84	-14.5	176	0	0	0	0	0	113.6	K342 F343 G344 P348	K342-A346 WeakPolarHBondContact O-CB 3.39Å; K342-A346 PolarHBondContact O-N 3.15Å; F343-A346 PolarHBondContact O-N 3.01Å; G344-A346 VanDerWaalsContact C-N 3.29Å; G344-A346 PolarHBondContact O-N 2.93Å; A346-P348 WeakPolarHBondContact O-CD 3.49Å
347	T	81.8	Confident	89.1	Confident	32 Å²	32	64.5 Å²	64.5	20%	0.196	34%	0.341	C	S	.	.	S	Bend	trans	-78.5	123.9	-176.2	-66	0	0	0	0	110.6	F343 G344 E349 A350	F343-T347 WeakPolarHBondContact O-CB 3.5Å; F343-T347 PolarHBondContact O-N 2.98Å; F343-T347 PolarHBondContact O-OG1 2.88Å; G344-T347 PolarHBondContact O-N 3.44Å; T347-E349 PolarHBondContact O-N 3.5Å; T347-A350 HydrophobicContact CG2-CB 4.38Å; T347-A350 WeakPolarHBondContact O-CB 3.34Å; T347-A350 PolarHBondContact O-N 3.3Å; T347-A350 VanDerWaalsContact O-N 3.15Å
348	P	79.8	Confident	89	Confident	105 Å²	105	62 Å²	62	68%	0.682	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.3	138.2	174.7	-24.9	34.6	0	0	0	111.9	A346 A350	A346-P348 WeakPolarHBondContact O-CD 3.49Å; P348-A350 PolarHBondContact O-N 2.96Å
349	E	82.7	Confident	89.1	Confident	96 Å²	96	62 Å²	62	45%	0.449	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	17	-178.1	-45.4	-171.6	151.6	0	0	114.7	R123 T347	R123-E349 IonicContact CZ-OE1 2.83Å; R123-E349 IonicContact NE-OE1 3.94Å; R123-E349 PolarHBondContact NE-OE1 3.03Å; R123-E349 IonicContact NE-OE2 3.82Å; R123-E349 IonicContact NH2-OE1 3.06Å; R123-E349 PolarHBondContact NH2-OE1 2.83Å; T347-E349 PolarHBondContact O-N 3.5Å
350	A	85.7	Confident	89.5	Confident	24 Å²	24	57.5 Å²	57.5	20%	0.198	32%	0.318	C	S	.	.			trans	-62.8	142.4	172.8	0	0	0	0	0	111.2	G344 T347 P348 I352 I355	G344-A350 WeakPolarHBondContact O-CB 3.24Å; T347-A350 HydrophobicContact CG2-CB 4.38Å; T347-A350 WeakPolarHBondContact O-CB 3.34Å; T347-A350 PolarHBondContact O-N 3.3Å; T347-A350 VanDerWaalsContact O-N 3.15Å; P348-A350 PolarHBondContact O-N 2.96Å; A350-I352 PolarHBondContact O-N 2.82Å; A350-I355 HydrophobicContact CB-CD1 3.87Å
351	R	90.6	Very high	90	Very high	103 Å²	103	59.5 Å²	59.5	39%	0.389	31%	0.311	S	S	.	.			trans	-76	90.2	176.9	-171.9	67	173.4	150.1	-1.4	109.5	D118 W120 E353 S354 I355	D118-R351 IonicContact OD2-CZ 4Å; D118-R351 IonicContact OD2-NE 2.6Å; D118-R351 IonicContact OD2-NH2 3.92Å; D118-R351 PolarHBondContact OD2-NH2 2.81Å; W120-R351 HydrophobicContact CD2-CB 4.38Å; W120-R351 HydrophobicContact CD2-CG 4.42Å; W120-R351 HydrophobicContact CH2-CB 4.42Å; W120-R351 HydrophobicContact CZ2-CB 4.28Å; R351-E353 VanDerWaalsContact C-N 3.27Å; R351-E353 PolarHBondContact O-N 3.03Å; R351-S354 WeakPolarHBondContact CG-OG 3.23Å; R351-S354 WeakPolarHBondContact O-CB 3.41Å; R351-S354 PolarHBondContact O-N 3.15Å; R351-I355 PolarHBondContact O-N 3.05Å
352	I	93	Very high	90.5	Very high	74 Å²	74	64.5 Å²	64.5	38%	0.379	33%	0.33	S	S	.	.	H	α-helix	trans	-54.1	-42.3	-176	-54.7	-55.6	0	0	0	112.2	L345 A350 S354 I355 L356	L345-I352 HydrophobicContact CD2-CD1 4.12Å; L345-I352 HydrophobicContact CD2-CG2 4.49Å; A350-I352 PolarHBondContact O-N 2.82Å; I352-S354 VanDerWaalsContact C-N 3.3Å; I352-S354 PolarHBondContact O-N 3.05Å; I352-I355 HydrophobicContact CD1-CD1 4.46Å; I352-I355 PolarHBondContact O-N 2.8Å; I352-I355 VanDerWaalsContact O-N 3.08Å; I352-L356 HydrophobicContact CG2-CD1 3.74Å; I352-L356 HydrophobicContact CG2-CG 4.06Å; I352-L356 PolarHBondContact O-N 2.94Å
353	E	94.4	Very high	91	Very high	129 Å²	129	60.7 Å²	60.7	60%	0.603	32%	0.318	S	S	*	.	H	α-helix	trans	-58.7	-39.3	177.1	-63.3	-56.7	150.6	0	0	112.9	R351 I355 M357	R351-E353 VanDerWaalsContact C-N 3.27Å; R351-E353 PolarHBondContact O-N 3.03Å; E353-I355 VanDerWaalsContact C-N 3.33Å; E353-I355 PolarHBondContact O-N 2.64Å; E353-M357 WeakPolarHBondContact O-CB 3.3Å; E353-M357 PolarHBondContact O-N 2.94Å
354	S	93.1	Very high	91.6	Very high	17 Å²	17	57.5 Å²	57.5	12%	0.119	31%	0.305	C	S	.	.	H	α-helix	trans	-70.5	-30	177.5	-57.6	0	0	0	0	112.3	S130 N145 R351 I352	S130-S354 WeakPolarHBondContact OG-CB 3.31Å; S130-S354 PolarHBondContact OG-OG 2.89Å; N145-S354 PolarHBondContact ND2-O 2.69Å; R351-S354 WeakPolarHBondContact CG-OG 3.23Å; R351-S354 WeakPolarHBondContact O-CB 3.41Å; R351-S354 PolarHBondContact O-N 3.15Å; I352-S354 VanDerWaalsContact C-N 3.3Å; I352-S354 PolarHBondContact O-N 3.05Å
355	I	92.8	Very high	92.2	Very high	30 Å²	30	63.7 Å²	63.7	15%	0.154	33%	0.325	C	S	.	.	H	α-helix	trans	-74.2	-50.2	176	-63.9	160.4	0	0	0	110.3	T341 G344 L345 A350 R351 I352 E353 M357 S358	T341-I355 HydrophobicContact CG2-CG2 4.18Å; G344-I355 WeakPolarHBondContact O-CD1 3.43Å; L345-I355 HydrophobicContact CD2-CD1 4.44Å; L345-I355 HydrophobicContact CD2-CG2 4.03Å; L345-I355 HydrophobicContact CG-CG2 4.12Å; A350-I355 HydrophobicContact CB-CD1 3.87Å; R351-I355 PolarHBondContact O-N 3.05Å; I352-I355 HydrophobicContact CD1-CD1 4.46Å; I352-I355 PolarHBondContact O-N 2.8Å; I352-I355 VanDerWaalsContact O-N 3.08Å; E353-I355 VanDerWaalsContact C-N 3.33Å; E353-I355 PolarHBondContact O-N 2.64Å; I355-M357 PolarHBondContact O-N 2.97Å; I355-S358 WeakPolarHBondContact O-CB 3.37Å; I355-S358 PolarHBondContact O-N 3.26Å; I355-S358 PolarHBondContact O-OG 2.8Å
356	L	95.5	Very high	92.5	Very high	61 Å²	61	62.7 Å²	62.7	32%	0.319	32%	0.32	S	S	.	.	H	α-helix	trans	-74.3	-13.1	-177.9	-63	-177.1	0	0	0	113.5	K141 I352 S358 L359	K141-L356 PolarHBondContact NZ-O 3.37Å; I352-L356 HydrophobicContact CG2-CD1 3.74Å; I352-L356 HydrophobicContact CG2-CG 4.06Å; I352-L356 PolarHBondContact O-N 2.94Å; L356-S358 PolarHBondContact O-N 2.96Å; L356-S358 VanDerWaalsContact O-N 3.17Å; L356-L359 HydrophobicContact CD2-CD1 4.01Å; L356-L359 PolarHBondContact O-N 2.87Å; L356-L359 VanDerWaalsContact O-N 3.08Å
357	M	95.5	Very high	93.1	Very high	9 Å²	9	69.3 Å²	69.3	4%	0.044	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-36.9	166.6	-177.5	-75.2	-71.6	0	0	111.3	V132 K141 G143 N145 E353 I355 L359	V132-M357 HydrophobicContact CG1-CG 4.13Å; V132-M357 HydrophobicContact CG2-CG 3.78Å; K141-M357 WeakPolarHBondContact CE-O 3.27Å; K141-M357 PolarHBondContact NZ-O 2.71Å; K141-M357 VanDerWaalsContact NZ-O 3.09Å; G143-M357 VanDerWaalsContact C-CE 3.47Å; G143-M357 WeakPolarHBondContact CA-SD 3.41Å; G143-M357 PolarHBondContact N-SD 2.84Å; G143-M357 WeakPolarHBondContact O-CE 3.2Å; N145-M357 WeakPolarHBondContact ND2-CE 3.45Å; E353-M357 WeakPolarHBondContact O-CB 3.3Å; E353-M357 PolarHBondContact O-N 2.94Å; I355-M357 PolarHBondContact O-N 2.97Å; M357-L359 PolarHBondContact O-N 3.05Å
358	S	93.6	Very high	93.6	Very high	16 Å²	16	72.8 Å²	72.8	11%	0.112	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-16.1	-179.8	67.3	0	0	0	0	115.3	H186 Y330 I355 L356	H186-S358 PolarHBondContact NE2-O 3.5Å; Y330-S358 WeakPolarHBondContact CE1-O 3.24Å; I355-S358 WeakPolarHBondContact O-CB 3.37Å; I355-S358 PolarHBondContact O-N 3.26Å; I355-S358 PolarHBondContact O-OG 2.8Å; L356-S358 PolarHBondContact O-N 2.96Å; L356-S358 VanDerWaalsContact O-N 3.17Å
359	L	97.5	Very high	94.3	Very high	27 Å²	27	70.6 Å²	70.6	14%	0.141	33%	0.332	C	S	.	.	S	Bend	trans	-88	145	178.2	-57.4	-178.5	0	0	0	111.2	K141 V331 N334 L335 L356 M357	K141-L359 WeakPolarHBondContact CD-O 3.3Å; K141-L359 PolarHBondContact NZ-O 2.97Å; V331-L359 HydrophobicContact CG1-CD2 4.42Å; V331-L359 HydrophobicContact CG2-CD2 4.36Å; N334-L359 HydrophobicContact CB-CD2 3.87Å; L335-L359 HydrophobicContact CD1-CD1 4.38Å; L335-L359 HydrophobicContact CD2-CD1 4.19Å; L335-L359 HydrophobicContact CD2-CD2 4.48Å; L335-L359 HydrophobicContact CG-CD1 4.48Å; L335-L359 HydrophobicContact CG-CD2 4.42Å; L356-L359 HydrophobicContact CD2-CD1 4.01Å; L356-L359 PolarHBondContact O-N 2.87Å; L356-L359 VanDerWaalsContact O-N 3.08Å; M357-L359 PolarHBondContact O-N 3.05Å
360	P	98.1	Very high	94.8	Very high	13 Å²	13	69.6 Å²	69.6	8%	0.084	33%	0.33	C	S	.	.			trans	-63.4	150.7	173.7	27.6	-34.7	0	0	0	111.1	H186 R327 V331 Y362 A363	H186-P360 WeakPolarHBondContact CD2-CA 3.05Å; R327-P360 HydrophobicContact CB-CB 4.34Å; R327-P360 HydrophobicContact CB-CG 3.95Å; R327-P360 HydrophobicContact CG-CB 4.17Å; R327-P360 HydrophobicContact CG-CG 4.25Å; V331-P360 HydrophobicContact CG2-CG 3.7Å; P360-Y362 VanDerWaalsContact C-N 3.29Å; P360-Y362 PolarHBondContact O-N 3.42Å; P360-A363 HydrophobicContact CG-CB 4.36Å
361	R	96.8	Very high	95.1	Very high	90 Å²	90	69.8 Å²	69.8	34%	0.34	33%	0.33	S	S	.	.	S	Bend	trans	-62.7	-37.9	177.6	-170.5	179.8	-177.1	96.5	-2.3	112.2	E134 N135 E140 K141	E134-R361 IonicContact OE1-NH1 3.34Å; E134-R361 PolarHBondContact OE1-NH1 3.4Å; E134-R361 IonicContact OE2-NH1 2.85Å; E134-R361 PolarHBondContact OE2-NH1 3.28Å; N135-R361 PolarHBondContact OD1-NE 3.06Å; E140-R361 HydrophobicContact CG-CB 4.39Å; K141-R361 HydrophobicContact CB-CB 4.46Å; K141-R361 HydrophobicContact CD-CB 4.42Å
362	Y	98.2	Very high	95.1	Very high	113 Å²	113	68.1 Å²	68.1	44%	0.443	33%	0.334	S	S	.	.			trans	-130.6	137.4	177.5	-50.2	-65.7	0	0	0	110.9	E140 L324 R327 P360	E140-Y362 HydrophobicContact CG-CE2 4.49Å; E140-Y362 WeakPolarHBondContact OE1-CD2 3.23Å; L324-Y362 WeakPolarHBondContact CD2-O 2.84Å; R327-Y362 VanDerWaalsContact CD-O 3.32Å; R327-Y362 WeakPolarHBondContact CD-O 3.32Å; R327-Y362 PolarHBondContact NH1-O 3.27Å; P360-Y362 VanDerWaalsContact C-N 3.29Å; P360-Y362 PolarHBondContact O-N 3.42Å
363	A	98.4	Very high	94.9	Very high	27 Å²	27	72 Å²	72	22%	0.223	35%	0.35	C	S	.	.			trans	-147.8	157.5	172.4	0	0	0	0	0	109.1	R327 V331 P360 W365	R327-A363 HydrophobicContact CB-CB 4.1Å; V331-A363 HydrophobicContact CG2-CB 4.1Å; P360-A363 HydrophobicContact CG-CB 4.36Å; A363-W365 HydrophobicContact CB-CH2 3.93Å; A363-W365 HydrophobicContact CB-CZ3 3.96Å
364	Q	98	Very high	94.9	Very high	70 Å²	70	66.9 Å²	66.9	33%	0.327	33%	0.327	S	S	.	.			trans	-133	147.1	-177.7	-75.8	-179.3	-19.4	0	0	112.4	L324	L324-Q364 HydrophobicContact CB-CB 3.99Å; L324-Q364 HydrophobicContact CB-CG 3.87Å; L324-Q364 HydrophobicContact CD1-CG 4.07Å; L324-Q364 PolarHBondContact O-N 3.31Å
365	W	98	Very high	94.9	Very high	140 Å²	140	70.7 Å²	70.7	53%	0.53	35%	0.351	S	S	.	.			trans	-124.7	89.5	172.5	-70.9	-94.6	0	0	0	109.3	V331 E332 A363	V331-W365 HydrophobicContact CB-CH2 4.04Å; V331-W365 HydrophobicContact CB-CZ2 3.96Å; V331-W365 HydrophobicContact CG1-CH2 3.85Å; V331-W365 HydrophobicContact CG1-CZ2 3.92Å; V331-W365 HydrophobicContact CG2-CH2 4.33Å; E332-W365 PolarHBondContact OE1-NE1 3.06Å; A363-W365 HydrophobicContact CB-CH2 3.93Å; A363-W365 HydrophobicContact CB-CZ3 3.96Å
366	N	95.3	Very high	95.1	Very high	58 Å²	58	74.1 Å²	74.1	31%	0.31	36%	0.362	S	S	.	.			trans	-84.9	124.6	177.2	-63	2.2	0	0	0	108.6	E321 C368 Y369	E321-N366 PolarHBondContact OE1-ND2 3.05Å; N366-C368 PolarHBondContact O-N 3.46Å; N366-Y369 HydrophobicContact CB-CD2 3.79Å; N366-Y369 HydrophobicContact CB-CG 4.29Å; N366-Y369 PolarHBondContact O-N 3.3Å
367	Y	96.2	Very high	95.2	Very high	222 Å²	222	71.5 Å²	71.5	87%	0.871	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	126.2	177.3	-176	-107.6	0	0	0	110	Y369	Y367-Y369 VanDerWaalsContact C-N 3.26Å; Y367-Y369 PolarHBondContact O-N 3.33Å
368	C	93.4	Very high	95.2	Very high	105 Å²	105	74.5 Å²	74.5	71%	0.709	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.4	41.9	-176.7	-66.5	0	0	0	0	114.8	N366 D370	N366-C368 PolarHBondContact O-N 3.46Å; C368-D370 PolarHBondContact O-N 3.22Å; C368-D370 VanDerWaalsContact O-N 3.15Å
369	Y	94	Very high	95.4	Very high	59 Å²	59	76.7 Å²	76.7	23%	0.231	38%	0.378	C	S	.	.			trans	-52.3	119.2	177.8	-174	-100.5	0	0	0	112.9	E321 W322 V325 N366 Y367 S371	E321-Y369 HydrophobicContact CG-CE2 4.19Å; W322-Y369 HydrophobicContact CE3-CD1 4.47Å; W322-Y369 AromaticContact CE3-CE1 3.57Å; W322-Y369 HydrophobicContact CE3-CE1 3.57Å; W322-Y369 HydrophobicContact CZ3-CD1 4.32Å; W322-Y369 AromaticContact CZ3-CE1 3.78Å; W322-Y369 HydrophobicContact CZ3-CE1 3.78Å; V325-Y369 HydrophobicContact CG1-CD1 3.99Å; V325-Y369 HydrophobicContact CG1-CE1 4.32Å; V325-Y369 HydrophobicContact CG1-CG 4.29Å; V325-Y369 HydrophobicContact CG2-CD1 4.4Å; V325-Y369 HydrophobicContact CG2-CD2 4.02Å; V325-Y369 HydrophobicContact CG2-CE1 4.4Å; V325-Y369 HydrophobicContact CG2-CE2 4.01Å; V325-Y369 HydrophobicContact CG2-CG 4.2Å; N366-Y369 HydrophobicContact CB-CD2 3.79Å; N366-Y369 HydrophobicContact CB-CG 4.29Å; N366-Y369 PolarHBondContact O-N 3.3Å; Y367-Y369 VanDerWaalsContact C-N 3.26Å; Y367-Y369 PolarHBondContact O-N 3.33Å; Y369-S371 PolarHBondContact O-N 3.4Å
370	D	93.7	Very high	95.4	Very high	75 Å²	75	75.4 Å²	75.4	40%	0.401	37%	0.371	S	S	.	.			trans	-84.7	95.3	176.9	-178.8	14.1	0	0	0	111.4	C368 S372 Q373	C368-D370 PolarHBondContact O-N 3.22Å; C368-D370 VanDerWaalsContact O-N 3.15Å; D370-S372 VanDerWaalsContact CG-OG 3.32Å; D370-S372 PolarHBondContact O-N 3.09Å; D370-S372 VanDerWaalsContact OD1-CB 3.25Å; D370-S372 WeakPolarHBondContact OD1-CB 3.15Å; D370-S372 PolarHBondContact OD1-N 2.75Å; D370-S372 PolarHBondContact OD1-OG 3.49Å; D370-S372 PolarHBondContact OD2-OG 3.45Å; D370-Q373 PolarHBondContact OD2-NE2 3.03Å
371	S	91.7	Very high	95.4	Very high	27 Å²	27	75.4 Å²	75.4	19%	0.189	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-73.6	-6.6	176.2	64	0	0	0	0	114.5	Y369 Q373 Q378 I381	Y369-S371 PolarHBondContact O-N 3.4Å; S371-Q373 VanDerWaalsContact C-N 3.32Å; S371-Q373 PolarHBondContact O-N 3.34Å; S371-Q378 PolarHBondContact O-NE2 2.81Å; S371-Q378 PolarHBondContact OG-NE2 3.28Å; S371-I381 WeakPolarHBondContact OG-CD1 3.22Å
372	S	91	Very high	95.4	Very high	68 Å²	68	76.5 Å²	76.5	48%	0.476	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-79.3	-13.5	-173.1	73.8	0	0	0	0	114.2	D370 D374	D370-S372 VanDerWaalsContact CG-OG 3.32Å; D370-S372 PolarHBondContact O-N 3.09Å; D370-S372 VanDerWaalsContact OD1-CB 3.25Å; D370-S372 WeakPolarHBondContact OD1-CB 3.15Å; D370-S372 PolarHBondContact OD1-N 2.75Å; D370-S372 PolarHBondContact OD1-OG 3.49Å; D370-S372 PolarHBondContact OD2-OG 3.45Å; S372-D374 PolarHBondContact O-N 3.47Å; S372-D374 VanDerWaalsContact O-N 3.11Å
373	Q	88.3	Confident	95.4	Very high	155 Å²	155	71.3 Å²	71.3	72%	0.724	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-61.5	-19.9	179.8	-62.2	-62.8	-39.6	0	0	113.9	D370 S371	D370-Q373 PolarHBondContact OD2-NE2 3.03Å; S371-Q373 VanDerWaalsContact C-N 3.32Å; S371-Q373 PolarHBondContact O-N 3.34Å
374	D	93.7	Very high	95.4	Very high	23 Å²	23	70 Å²	70	12%	0.123	35%	0.348	C	S	.	.	S	Bend	trans	-129.2	111.1	177.8	-176.9	-6.5	0	0	0	109.8	S372 R376 N377	S372-D374 PolarHBondContact O-N 3.47Å; S372-D374 VanDerWaalsContact O-N 3.11Å; D374-R376 VanDerWaalsContact CG-NE 3.33Å; D374-R376 PolarHBondContact O-N 3.19Å; D374-R376 VanDerWaalsContact OD1-CB 3.25Å; D374-R376 WeakPolarHBondContact OD1-CB 3.22Å; D374-R376 VanDerWaalsContact OD1-CG 3.28Å; D374-R376 WeakPolarHBondContact OD1-CG 3.08Å; D374-R376 IonicContact OD1-CZ 2.64Å; D374-R376 PolarHBondContact OD1-N 3.31Å; D374-R376 IonicContact OD1-NE 3.39Å; D374-R376 PolarHBondContact OD1-NE 3.28Å; D374-R376 IonicContact OD1-NH2 2.71Å; D374-R376 IonicContact OD2-CZ 3.51Å; D374-R376 IonicContact OD2-NE 3.59Å; D374-R376 PolarHBondContact OD2-NE 3.15Å; D374-R376 IonicContact OD2-NH2 3.78Å; D374-R376 PolarHBondContact OD2-NH2 3.19Å; D374-N377 WeakPolarHBondContact O-CB 3.28Å; D374-N377 PolarHBondContact O-N 3.27Å
375	P	94.3	Very high	95.4	Very high	96 Å²	96	72 Å²	72	62%	0.623	36%	0.356	S	S	*	.	H	α-helix	trans	-54.4	-28.5	178.3	-27.6	35.3	0	0	0	113.8	N377 Q378 S379	P375-N377 VanDerWaalsContact C-N 3.25Å; P375-N377 PolarHBondContact O-N 2.87Å; P375-Q378 WeakPolarHBondContact O-CB 3.46Å; P375-Q378 PolarHBondContact O-N 2.79Å; P375-Q378 VanDerWaalsContact O-N 3.13Å; P375-S379 PolarHBondContact O-N 3.37Å; P375-S379 VanDerWaalsContact O-N 3.13Å; P375-S379 PolarHBondContact O-OG 2.81Å
376	R	96.5	Very high	95.4	Very high	103 Å²	103	70.1 Å²	70.1	39%	0.389	36%	0.356	S	S	.	.	H	α-helix	trans	-64	-32.1	178.3	-56.4	172.8	-66.9	179.4	2.3	112	Y191 Y225 E319 D374 Q378 L380	Y191-R376 PolarHBondContact OH-NH1 2.81Å; Y225-R376 HydrophobicContact CD1-CB 3.79Å; Y225-R376 HydrophobicContact CE1-CB 3.89Å; E319-R376 IonicContact OE1-CZ 3.09Å; E319-R376 IonicContact OE1-NH1 3.71Å; E319-R376 PolarHBondContact OE1-NH1 3.48Å; E319-R376 IonicContact OE1-NH2 3.85Å; E319-R376 PolarHBondContact OE1-NH2 2.99Å; D374-R376 VanDerWaalsContact CG-NE 3.33Å; D374-R376 PolarHBondContact O-N 3.19Å; D374-R376 VanDerWaalsContact OD1-CB 3.25Å; D374-R376 WeakPolarHBondContact OD1-CB 3.22Å; D374-R376 VanDerWaalsContact OD1-CG 3.28Å; D374-R376 WeakPolarHBondContact OD1-CG 3.08Å; D374-R376 IonicContact OD1-CZ 2.64Å; D374-R376 PolarHBondContact OD1-N 3.31Å; D374-R376 IonicContact OD1-NE 3.39Å; D374-R376 PolarHBondContact OD1-NE 3.28Å; D374-R376 IonicContact OD1-NH2 2.71Å; D374-R376 IonicContact OD2-CZ 3.51Å; D374-R376 IonicContact OD2-NE 3.59Å; D374-R376 PolarHBondContact OD2-NE 3.15Å; D374-R376 IonicContact OD2-NH2 3.78Å; D374-R376 PolarHBondContact OD2-NH2 3.19Å; R376-Q378 VanDerWaalsContact C-N 3.34Å; R376-L380 PolarHBondContact O-N 3.22Å
377	N	97	Very high	95.5	Very high	5 Å²	5	70.1 Å²	70.1	3%	0.027	36%	0.359	C	S	.	.	H	α-helix	trans	-67.1	-40.1	175.7	-63.5	-6.3	0	0	0	110.5	Y225 W322 D374 P375 L380 I381	Y225-N377 WeakPolarHBondContact CE1-OD1 3.47Å; W322-N377 VanDerWaalsContact CD1-OD1 3.28Å; W322-N377 HydrophobicContact CD2-CB 4.33Å; W322-N377 VanDerWaalsContact CE2-CG 3.45Å; W322-N377 HydrophobicContact CH2-CB 4.09Å; W322-N377 HydrophobicContact CZ2-CB 3.7Å; W322-N377 PolarHBondContact NE1-OD1 3.23Å; D374-N377 WeakPolarHBondContact O-CB 3.28Å; D374-N377 PolarHBondContact O-N 3.27Å; P375-N377 VanDerWaalsContact C-N 3.25Å; P375-N377 PolarHBondContact O-N 2.87Å; N377-L380 PolarHBondContact O-N 2.81Å; N377-I381 VanDerWaalsContact O-CG1 3.3Å; N377-I381 WeakPolarHBondContact O-CG1 3.49Å; N377-I381 PolarHBondContact O-N 2.8Å
378	Q	96.4	Very high	95.5	Very high	73 Å²	73	63.9 Å²	63.9	34%	0.341	34%	0.337	S	S	.	.	H	α-helix	trans	-66.7	-40.6	179.8	-60.9	-52.2	-51.7	0	0	111.7	S371 P375 R376 L380 I381 E382	S371-Q378 PolarHBondContact O-NE2 2.81Å; S371-Q378 PolarHBondContact OG-NE2 3.28Å; P375-Q378 WeakPolarHBondContact O-CB 3.46Å; P375-Q378 PolarHBondContact O-N 2.79Å; P375-Q378 VanDerWaalsContact O-N 3.13Å; R376-Q378 VanDerWaalsContact C-N 3.34Å; Q378-L380 VanDerWaalsContact C-N 3.25Å; Q378-L380 PolarHBondContact O-N 2.87Å; Q378-I381 PolarHBondContact O-N 3.13Å; Q378-I381 VanDerWaalsContact O-N 3.16Å; Q378-E382 WeakPolarHBondContact O-CB 3.12Å; Q378-E382 PolarHBondContact O-N 3.48Å
379	S	96.2	Very high	95.7	Very high	61 Å²	61	64.8 Å²	64.8	43%	0.427	33%	0.33	S	S	.	.	H	α-helix	trans	-57.8	-37.6	175.1	-56.9	0	0	0	0	112.7	P375	P375-S379 PolarHBondContact O-N 3.37Å; P375-S379 VanDerWaalsContact O-N 3.13Å; P375-S379 PolarHBondContact O-OG 2.81Å
380	L	98.1	Very high	95.9	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69.2	-51.5	172.8	174.9	62.5	0	0	0	111.3	P223 Y224 L226 R376 N377 Q378 E382 V383 L384	P223-L380 HydrophobicContact CG-CD1 3.93Å; P223-L380 VanDerWaalsContact O-CD2 3.3Å; P223-L380 WeakPolarHBondContact O-CD2 3.37Å; Y224-L380 WeakPolarHBondContact O-CD2 3.39Å; L226-L380 HydrophobicContact CB-CB 4.26Å; L226-L380 HydrophobicContact CB-CD1 4.38Å; R376-L380 PolarHBondContact O-N 3.22Å; N377-L380 PolarHBondContact O-N 2.81Å; Q378-L380 VanDerWaalsContact C-N 3.25Å; Q378-L380 PolarHBondContact O-N 2.87Å; L380-E382 VanDerWaalsContact C-N 3.25Å; L380-E382 PolarHBondContact O-N 2.75Å; L380-V383 PolarHBondContact O-N 2.97Å; L380-V383 VanDerWaalsContact O-N 3.07Å; L380-L384 HydrophobicContact CD1-CD1 4.07Å; L380-L384 HydrophobicContact CD1-CD2 4.1Å; L380-L384 HydrophobicContact CD1-CG 3.93Å; L380-L384 HydrophobicContact CD2-CD1 4.33Å; L380-L384 HydrophobicContact CG-CD1 3.86Å; L380-L384 HydrophobicContact CG-CG 4.12Å; L380-L384 WeakPolarHBondContact O-CG 2.88Å; L380-L384 PolarHBondContact O-N 3.02Å
381	I	97.8	Very high	96	Very high	14 Å²	14	63.7 Å²	63.7	7%	0.072	33%	0.33	C	S	.	.	H	α-helix	trans	-55.8	-41.3	-177.1	-69.2	162.7	0	0	0	111.4	W322 S371 N377 Q378 V383 L384 K385	W322-I381 HydrophobicContact CH2-CD1 3.92Å; W322-I381 HydrophobicContact CH2-CG1 4.2Å; S371-I381 WeakPolarHBondContact OG-CD1 3.22Å; N377-I381 VanDerWaalsContact O-CG1 3.3Å; N377-I381 WeakPolarHBondContact O-CG1 3.49Å; N377-I381 PolarHBondContact O-N 2.8Å; Q378-I381 PolarHBondContact O-N 3.13Å; Q378-I381 VanDerWaalsContact O-N 3.16Å; I381-V383 VanDerWaalsContact C-N 3.28Å; I381-V383 PolarHBondContact O-N 3.03Å; I381-L384 PolarHBondContact O-N 3.44Å; I381-L384 VanDerWaalsContact O-N 3.16Å; I381-K385 HydrophobicContact CG2-CD 4.02Å; I381-K385 HydrophobicContact CG2-CG 4.3Å; I381-K385 WeakPolarHBondContact O-CG 3.49Å; I381-K385 PolarHBondContact O-N 3.09Å
382	E	97.6	Very high	96.2	Very high	113 Å²	113	65.6 Å²	65.6	53%	0.528	34%	0.337	S	S	.	.	H	α-helix	trans	-57	-43.5	178.6	-171.2	-170.7	151.2	0	0	111.9	Q378 L380 K385 N386	Q378-E382 WeakPolarHBondContact O-CB 3.12Å; Q378-E382 PolarHBondContact O-N 3.48Å; L380-E382 VanDerWaalsContact C-N 3.25Å; L380-E382 PolarHBondContact O-N 2.75Å; E382-K385 PolarHBondContact O-N 3.15Å; E382-N386 WeakPolarHBondContact O-CB 3.36Å; E382-N386 PolarHBondContact O-N 3.15Å; E382-N386 PolarHBondContact O-ND2 3.06Å
383	V	98.1	Very high	96.5	Very high	3 Å²	3	65.4 Å²	65.4	2%	0.018	33%	0.329	C	S	.	.	H	α-helix	trans	-71	-35.2	177.4	174.9	0	0	0	0	112	L226 I272 L380 I381 K385 N386 P387 K388 W390	L226-V383 HydrophobicContact CD2-CB 4.5Å; L226-V383 HydrophobicContact CD2-CG2 3.73Å; I272-V383 HydrophobicContact CG2-CG1 4.4Å; L380-V383 PolarHBondContact O-N 2.97Å; L380-V383 VanDerWaalsContact O-N 3.07Å; I381-V383 VanDerWaalsContact C-N 3.28Å; I381-V383 PolarHBondContact O-N 3.03Å; V383-K385 VanDerWaalsContact C-N 3.33Å; V383-N386 CarbonylContact O-C 3.56Å; V383-N386 PolarHBondContact O-N 3.46Å; V383-P387 WeakPolarHBondContact O-CA 3.42Å; V383-P387 VanDerWaalsContact O-N 3.16Å; V383-K388 HydrophobicContact CG1-CG 4.44Å; V383-K388 HydrophobicContact CG2-CD 3.92Å; V383-W390 HydrophobicContact CG1-CH2 3.92Å; V383-W390 HydrophobicContact CG1-CZ2 3.59Å
384	L	98.4	Very high	96.9	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.9	-31.2	177.1	-60.6	-179	0	0	0	112.2	E268 T269 G271 I272 L380 I381	E268-L384 CarbonylContact C-O 3.47Å; E268-L384 WeakPolarHBondContact CA-O 3.17Å; E268-L384 HydrophobicContact CB-CB 4.06Å; T269-L384 PolarHBondContact N-O 2.84Å; T269-L384 WeakPolarHBondContact OG1-CA 3.35Å; T269-L384 PolarHBondContact OG1-O 3.26Å; G271-L384 VanDerWaalsContact C-CD2 3.41Å; G271-L384 VanDerWaalsContact O-CD2 3.3Å; G271-L384 WeakPolarHBondContact O-CD2 3.38Å; I272-L384 HydrophobicContact CG2-CD2 4.47Å; L380-L384 HydrophobicContact CD1-CD1 4.07Å; L380-L384 HydrophobicContact CD1-CD2 4.1Å; L380-L384 HydrophobicContact CD1-CG 3.93Å; L380-L384 HydrophobicContact CD2-CD1 4.33Å; L380-L384 HydrophobicContact CG-CD1 3.86Å; L380-L384 HydrophobicContact CG-CG 4.12Å; L380-L384 WeakPolarHBondContact O-CG 2.88Å; L380-L384 PolarHBondContact O-N 3.02Å; I381-L384 PolarHBondContact O-N 3.44Å; I381-L384 VanDerWaalsContact O-N 3.16Å
385	K	98.4	Very high	97.1	Very high	113 Å²	113	62.6 Å²	62.6	49%	0.491	32%	0.318	S	S	.	.	H	α-helix	trans	-75.9	-32.1	172.4	-70.2	-178.6	175.3	178.4	0	112.3	E268 I381 E382 V383	E268-K385 HydrophobicContact CB-CG 4.2Å; I381-K385 HydrophobicContact CG2-CD 4.02Å; I381-K385 HydrophobicContact CG2-CG 4.3Å; I381-K385 WeakPolarHBondContact O-CG 3.49Å; I381-K385 PolarHBondContact O-N 3.09Å; E382-K385 PolarHBondContact O-N 3.15Å; V383-K385 VanDerWaalsContact C-N 3.33Å
386	N	98.1	Very high	97.3	Very high	100 Å²	100	60.6 Å²	60.6	54%	0.535	30%	0.299	S	S	.	.	S	Bend	trans	-129.4	81.5	-177.7	-51.4	-79.6	0	0	0	109.5	E382 V383 K388	E382-N386 WeakPolarHBondContact O-CB 3.36Å; E382-N386 PolarHBondContact O-N 3.15Å; E382-N386 PolarHBondContact O-ND2 3.06Å; V383-N386 CarbonylContact O-C 3.56Å; V383-N386 PolarHBondContact O-N 3.46Å; N386-K388 PolarHBondContact O-N 3.36Å
387	P	97.5	Very high	97.3	Very high	57 Å²	57	57.7 Å²	57.7	37%	0.37	29%	0.293	S	S	.	.			trans	-51.3	135.9	-179.8	-29	36.7	0	0	0	111.9	D258 T269 V383	D258-P387 HydrophobicContact CB-CB 4.24Å; D258-P387 HydrophobicContact CB-CG 4.31Å; T269-P387 HydrophobicContact CG2-CG 3.59Å; V383-P387 WeakPolarHBondContact O-CA 3.42Å; V383-P387 VanDerWaalsContact O-N 3.16Å
388	K	95.2	Very high	97.4	Very high	92 Å²	92	61.5 Å²	61.5	40%	0.4	31%	0.312	S	S	.	.			trans	-107.1	154.2	-177.8	-63.4	-176.9	178.2	173.4	0	110.7	K254 V383 N386	K254-K388 PolarHBondContact NZ-O 3.15Å; V383-K388 HydrophobicContact CG1-CG 4.44Å; V383-K388 HydrophobicContact CG2-CD 3.92Å; N386-K388 PolarHBondContact O-N 3.36Å
389	E	97.5	Very high	97.4	Very high	123 Å²	123	60.6 Å²	60.6	58%	0.575	31%	0.31	S	S	*	.			trans	-82.1	125.9	163.8	-61.2	-53.3	145	0	0	108.9
390	W	97.7	Very high	97.6	Very high	29 Å²	29	60.6 Å²	60.6	11%	0.11	30%	0.3	C	S	.	.			trans	-97.4	-18.6	-171.7	-64.3	103.4	0	0	0	114.1	L226 A231 H235 I272 V383	L226-W390 HydrophobicContact CD1-CH2 3.63Å; L226-W390 HydrophobicContact CD1-CZ2 4.42Å; L226-W390 HydrophobicContact CD1-CZ3 4.33Å; A231-W390 HydrophobicContact CB-CD2 3.61Å; A231-W390 HydrophobicContact CB-CE3 3.39Å; A231-W390 HydrophobicContact CB-CG 4.39Å; A231-W390 HydrophobicContact CB-CH2 3.73Å; A231-W390 HydrophobicContact CB-CZ2 3.89Å; A231-W390 HydrophobicContact CB-CZ3 3.47Å; A231-W390 VanDerWaalsContact CB-CZ3 3.47Å; H235-W390 HydrophobicContact CB-CB 3.86Å; H235-W390 AromaticContact CD2-CD1 3.11Å; H235-W390 AromaticContact CD2-CG 3.49Å; H235-W390 VanDerWaalsContact CD2-CG 3.49Å; H235-W390 AromaticContact CD2-NE1 3.77Å; H235-W390 AromaticContact CE1-CD1 3.78Å; H235-W390 AromaticContact CG-CD1 3.76Å; H235-W390 AromaticContact NE2-CD1 3.14Å; H235-W390 AromaticContact NE2-CG 3.98Å; H235-W390 AromaticContact NE2-NE1 3.51Å; I272-W390 HydrophobicContact CB-CZ2 3.82Å; I272-W390 HydrophobicContact CD1-CZ2 4.37Å; I272-W390 HydrophobicContact CG2-CZ2 3.81Å; I272-W390 PolarHBondContact O-NE1 3.44Å; I272-W390 VanDerWaalsContact O-NE1 3.13Å; V383-W390 HydrophobicContact CG1-CH2 3.92Å; V383-W390 HydrophobicContact CG1-CZ2 3.59Å
391	V	96.3	Very high	97.5	Very high	83 Å²	83	66.1 Å²	66.1	50%	0.503	33%	0.327	S	S	.	.			trans	-142.1	0	-173.5	-62.8	0	0	0	0	112.1	K232 H235 E236 K239 Y250	K232-V391 HydrophobicContact CG-CG1 4.27Å; H235-V391 HydrophobicContact CB-CG1 4.02Å; H235-V391 HydrophobicContact CB-CG2 4.4Å; E236-V391 HydrophobicContact CB-CG1 4.24Å; E236-V391 HydrophobicContact CG-CB 4.44Å; E236-V391 HydrophobicContact CG-CG1 3.35Å; K239-V391 HydrophobicContact CB-CG2 4.22Å; K239-V391 HydrophobicContact CD-CB 4.27Å; K239-V391 HydrophobicContact CD-CG2 3.58Å; Y250-V391 HydrophobicContact CD1-CG2 4.21Å; Y250-V391 HydrophobicContact CE1-CG2 3.35Å; Y250-V391 HydrophobicContact CE2-CG2 4.28Å; Y250-V391 VanDerWaalsContact CZ-CG2 3.4Å; Y250-V391 WeakPolarHBondContact OH-CG2 3.44Å

Retrieved 391 of 391 residues in 244.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).