A0A077Z2Z6_TRITR Loading...

L-2-hydroxyglutarate dehydrogenase, mitochondrial

AlphaFold DB , UniProt , Accession A0A077Z2Z6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 398 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	27.7	Very low	37.5	Very low	240 Å²	240	79.8 Å²	79.8	100%	1.182	40%	0.403	S	S	*	.				0	120.4	0	-73.6	-173	175.1	0	0	107.3
2	P	34.2	Very low	37.7	Very low	103 Å²	103	84.8 Å²	84.8	67%	0.669	43%	0.431	S	S	*	.			trans	-87.8	139	-174.2	37	-32.9	0	0	0	111.3
3	Y	30.9	Very low	37.8	Very low	104 Å²	104	79.9 Å²	79.9	41%	0.408	41%	0.408	S	S	.	.			trans	72.4	114.2	165.1	-46.2	-66.9	0	0	0	120	Q395	Y3-Q395 WeakPolarHBondContact OH-CB 3.48Å
4	K	28.5	Very low	37.9	Very low	168 Å²	168	84.4 Å²	84.4	73%	0.73	42%	0.423	S	S	*	.			trans	-144.5	86.8	144.7	-75.2	-170.2	-178.2	171.3	0	109.5	F6	K4-F6 HydrophobicContact CB-CE1 4.39Å; K4-F6 HydrophobicContact CB-CE2 4.36Å; K4-F6 HydrophobicContact CB-CZ 4.02Å; K4-F6 HydrophobicContact CD-CZ 4.28Å
5	S	35.9	Very low	38.2	Very low	28 Å²	28	82.6 Å²	82.6	20%	0.196	42%	0.42	C	S	.	.			trans	-76.9	135.4	169.8	-25	0	0	0	0	108.8	D37	S5-D37 VanDerWaalsContact CB-OD1 3.29Å; S5-D37 WeakPolarHBondContact CB-OD1 3.35Å; S5-D37 PolarHBondContact OG-OD1 3.23Å
6	F	39	Very low	38.2	Very low	53 Å²	53	81.4 Å²	81.4	23%	0.232	42%	0.418	C	S	.	.			trans	-113.4	99.7	-174.7	-69.9	-57.4	0	0	0	111.4	K4 K35 F224 P225	K4-F6 HydrophobicContact CB-CE1 4.39Å; K4-F6 HydrophobicContact CB-CE2 4.36Å; K4-F6 HydrophobicContact CB-CZ 4.02Å; K4-F6 HydrophobicContact CD-CZ 4.28Å; F6-K35 HydrophobicContact CD1-CB 4.37Å; F6-K35 HydrophobicContact CD1-CD 3.31Å; F6-K35 HydrophobicContact CD1-CG 3.79Å; F6-K35 VanDerWaalsContact CD1-NZ 3.33Å; F6-K35 HydrophobicContact CE1-CD 3.49Å; F6-K35 VanDerWaalsContact CE1-CD 3.49Å; F6-K35 VanDerWaalsContact CE1-CE 3.42Å; F6-K35 HydrophobicContact CE1-CG 4.43Å; F6-F224 VanDerWaalsContact O-O 3.14Å; F6-P225 WeakPolarHBondContact O-CA 3.48Å
7	L	43.3	Very low	37.8	Very low	15 Å²	15	89.4 Å²	89.4	8%	0.079	44%	0.441	C	S	.	.			trans	-87.3	144.7	157.9	-138.5	97.5	0	0	0	110.4	F9 V39 L226 L228	L7-F9 HydrophobicContact CB-CE2 4.32Å; L7-F9 HydrophobicContact CD2-CD2 4.34Å; L7-F9 HydrophobicContact CD2-CE1 4.19Å; L7-F9 HydrophobicContact CD2-CE2 3.35Å; L7-F9 HydrophobicContact CD2-CZ 3.28Å; L7-F9 HydrophobicContact CG-CE2 4.38Å; L7-V39 HydrophobicContact CD1-CG2 4.24Å; L7-V39 HydrophobicContact CD2-CB 3.8Å; L7-V39 HydrophobicContact CD2-CG1 4.18Å; L7-V39 HydrophobicContact CD2-CG2 3.3Å; L7-V39 HydrophobicContact CG-CG2 4.2Å; L7-L226 VanDerWaalsContact CA-O 3.29Å; L7-L226 WeakPolarHBondContact CA-O 3.13Å; L7-L226 HydrophobicContact CD1-CB 4.01Å; L7-L226 HydrophobicContact CD1-CD2 4.45Å; L7-L226 VanDerWaalsContact CG-O 3.27Å; L7-L226 WeakPolarHBondContact CG-O 3.07Å; L7-L228 HydrophobicContact CD1-CD1 3.96Å; L7-L228 HydrophobicContact CD2-CB 4.46Å; L7-L228 HydrophobicContact CD2-CD1 3.58Å; L7-L228 HydrophobicContact CD2-CD2 3.99Å; L7-L228 HydrophobicContact CD2-CG 4.22Å; L7-L228 HydrophobicContact CG-CD1 3.89Å
8	R	45.9	Very low	37.5	Very low	52 Å²	52	88.6 Å²	88.6	20%	0.196	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	142.8	171.1	-68.8	-170.6	-174	-179.4	3.2	111.2	F32 L226 L228	R8-F32 VanDerWaalsContact NH2-CE1 3.26Å; R8-L226 PolarHBondContact N-O 3.05Å; R8-L228 PolarHBondContact O-N 3.27Å
9	F	44.6	Very low	36.9	Very low	7 Å²	7	88.7 Å²	88.7	3%	0.031	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	133.1	176.8	-69	-94.7	0	0	0	110.1	L7 G31 F36 V39 V66 F204 L228	L7-F9 HydrophobicContact CB-CE2 4.32Å; L7-F9 HydrophobicContact CD2-CD2 4.34Å; L7-F9 HydrophobicContact CD2-CE1 4.19Å; L7-F9 HydrophobicContact CD2-CE2 3.35Å; L7-F9 HydrophobicContact CD2-CZ 3.28Å; L7-F9 HydrophobicContact CG-CE2 4.38Å; F9-G31 WeakPolarHBondContact O-CA 3.47Å; F9-F36 HydrophobicContact CD2-CD2 4.45Å; F9-F36 HydrophobicContact CD2-CE2 4.28Å; F9-F36 AromaticContact CE2-CD2 3.44Å; F9-F36 HydrophobicContact CE2-CD2 3.44Å; F9-F36 VanDerWaalsContact CE2-CD2 3.44Å; F9-F36 AromaticContact CE2-CE2 3.56Å; F9-F36 HydrophobicContact CE2-CE2 3.56Å; F9-F36 AromaticContact CZ-CD2 3.9Å; F9-F36 HydrophobicContact CZ-CD2 3.9Å; F9-F36 HydrophobicContact CZ-CE2 4.01Å; F9-V39 HydrophobicContact CZ-CG1 4.08Å; F9-V39 HydrophobicContact CZ-CG2 4.06Å; F9-V66 HydrophobicContact CD1-CG1 4.3Å; F9-V66 HydrophobicContact CE1-CG1 3.34Å; F9-V66 HydrophobicContact CZ-CG1 3.91Å; F9-F204 HydrophobicContact CB-CE2 4.11Å; F9-F204 HydrophobicContact CB-CZ 4.35Å; F9-F204 HydrophobicContact CD1-CD1 4.26Å; F9-F204 HydrophobicContact CD1-CD2 4.09Å; F9-F204 AromaticContact CD1-CE1 3.74Å; F9-F204 HydrophobicContact CD1-CE1 3.74Å; F9-F204 AromaticContact CD1-CE2 3.56Å; F9-F204 HydrophobicContact CD1-CE2 3.56Å; F9-F204 HydrophobicContact CD1-CG 4.42Å; F9-F204 AromaticContact CD1-CZ 3.38Å; F9-F204 HydrophobicContact CD1-CZ 3.38Å; F9-F204 HydrophobicContact CE1-CD1 4.34Å; F9-F204 AromaticContact CE1-CE1 3.96Å; F9-F204 HydrophobicContact CE1-CE1 3.96Å; F9-F204 HydrophobicContact CE1-CZ 4.08Å; F9-F204 HydrophobicContact CG-CE2 4.33Å; F9-F204 HydrophobicContact CG-CZ 4.31Å; F9-L228 HydrophobicContact CE1-CB 4.4Å; F9-L228 HydrophobicContact CE1-CD2 4.33Å
10	H	42.4	Very low	36.3	Very low	72 Å²	72	90.5 Å²	90.5	33%	0.333	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	117.4	169.8	-66.8	-81	0	0	0	109.1	F229 S230	H10-F229 HydrophobicContact CB-CD1 4.02Å; H10-F229 HydrophobicContact CB-CE1 4.38Å; H10-F229 AromaticContact CD2-CD1 3.91Å; H10-F229 AromaticContact CD2-CE1 3.47Å; H10-F229 VanDerWaalsContact CD2-CE1 3.47Å; H10-F229 WeakPolarHBondContact CD2-CE1 3.41Å; H10-S230 PolarHBondContact O-N 3.35Å
11	G	40.2	Very low	35.7	Very low	36 Å²	36	95.8 Å²	95.8	37%	0.371	50%	0.502	S	S	.	.	S	Bend	trans	152.4	173.7	178.6	0	0	0	0	0	114.9	V13	G11-V13 PolarHBondContact O-N 2.65Å
12	N	40.4	Very low	35.6	Very low	139 Å²	139	92.8 Å²	92.8	74%	0.743	49%	0.485	S	S	*	.			trans	-72.9	84.6	174.7	-76.9	-27.8	0	0	0	110.6
13	V	38	Very low	35.3	Very low	22 Å²	22	92.7 Å²	92.7	13%	0.133	49%	0.494	C	S	.	.			trans	-82.3	123.4	-179.3	171.1	0	0	0	0	110.8	G11 Y34 I201 F204	G11-V13 PolarHBondContact O-N 2.65Å; V13-Y34 HydrophobicContact CG1-CE2 4.24Å; V13-I201 HydrophobicContact CB-CG2 4.44Å; V13-I201 HydrophobicContact CG1-CG1 4.3Å; V13-I201 HydrophobicContact CG1-CG2 3.65Å; V13-I201 HydrophobicContact CG2-CG2 4.24Å; V13-F204 HydrophobicContact CG2-CD2 3.99Å; V13-F204 HydrophobicContact CG2-CE2 4.37Å
14	K	39.2	Very low	35.2	Very low	143 Å²	143	93 Å²	93	62%	0.622	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-112.6	117.8	165.8	-71.3	-175.5	-179.5	177.2	0	109.8	T202	K14-T202 PolarHBondContact O-N 2.94Å; K14-T202 PolarHBondContact O-OG1 3.14Å
15	P	42.5	Very low	35.1	Very low	57 Å²	57	89.5 Å²	89.5	37%	0.37	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	142	170.4	28.1	-30.7	0	0	0	110.3	W17	P15-W17 VanDerWaalsContact C-N 3.26Å; P15-W17 PolarHBondContact O-N 2.86Å
16	V	38.3	Very low	34.7	Very low	64 Å²	64	94.4 Å²	94.4	39%	0.388	55%	0.549	S	S	.	.	S	Bend	trans	-73	-16.1	-175.1	-175.8	0	0	0	0	112.9	V200 T202	V16-V200 HydrophobicContact CG2-CG1 4.17Å; V16-T202 HydrophobicContact CG2-CG2 3.35Å; V16-T202 WeakPolarHBondContact CG2-OG1 3.34Å
17	W	32.4	Very low	34.2	Very low	216 Å²	216	95.7 Å²	95.7	82%	0.818	56%	0.564	S	S	*	*			trans	-143.9	93	176.3	-73.4	77.7	0	0	0	110.9	P15	P15-W17 VanDerWaalsContact C-N 3.26Å; P15-W17 PolarHBondContact O-N 2.86Å
18	S	32.4	Very low	33.6	Very low	76 Å²	76	105.3 Å²	105.3	53%	0.531	61%	0.605	S	S	.	*			trans	-133.9	112.5	153.6	59.6	0	0	0	0	107	I20	S18-I20 PolarHBondContact O-N 3.42Å
19	G	25	Very low	33.1	Very low	91 Å²	91	107.3 Å²	107.3	94%	0.938	62%	0.619	S	S	*	*	S	Bend	trans	-67.5	35.8	175	0	0	0	0	0	113.9
20	I	25.4	Very low	32.6	Very low	124 Å²	124	112.4 Å²	112.4	64%	0.636	65%	0.646	S	S	*	*			trans	-134.1	101.5	177.7	-58	179.4	0	0	0	107.2	S18 Q22	S18-I20 PolarHBondContact O-N 3.42Å; I20-Q22 HydrophobicContact CG2-CG 4.22Å; I20-Q22 PolarHBondContact O-N 3.4Å
21	Q	23.9	Very low	32.6	Very low	202 Å²	202	109.4 Å²	109.4	94%	0.944	64%	0.635	S	S	*	*			trans	-63.5	107.4	161.1	-75.6	176.9	-14.8	0	0	107.6
22	Q	26	Very low	32.8	Very low	176 Å²	176	112.6 Å²	112.6	82%	0.822	64%	0.639	S	S	*	*			trans	-110.1	123.2	154.4	-86.7	-173.9	-2.4	0	0	108.4	I20	I20-Q22 HydrophobicContact CG2-CG 4.22Å; I20-Q22 PolarHBondContact O-N 3.4Å
23	A	27.1	Very low	33.6	Very low	102 Å²	102	114 Å²	114	84%	0.843	64%	0.639	S	S	*	*			trans	-53.7	134.9	-179	0	0	0	0	0	111.2	S25	A23-S25 PolarHBondContact O-N 3.47Å
24	A	28.7	Very low	35.2	Very low	109 Å²	109	115.5 Å²	115.5	90%	0.901	64%	0.642	S	S	*	*			trans	-67.4	102.4	-179.2	0	0	0	0	0	110.8
25	S	26.3	Very low	37.3	Very low	95 Å²	95	112 Å²	112	66%	0.664	63%	0.627	S	S	*	*			trans	-86.7	120.9	158	160	0	0	0	0	108.2	A23 S27	A23-S25 PolarHBondContact O-N 3.47Å; S25-S27 PolarHBondContact O-N 3.22Å
26	S	28.6	Very low	39.5	Very low	132 Å²	132	109.6 Å²	109.6	92%	0.923	61%	0.611	S	S	*	*			trans	-71.1	71.2	175.6	57.4	0	0	0	0	111
27	S	28	Very low	42	Very low	80 Å²	80	108.1 Å²	108.1	56%	0.559	60%	0.601	S	S	*	*			trans	-108.1	134	162.5	55	0	0	0	0	108.2	S25 I29	S25-S27 PolarHBondContact O-N 3.22Å; S27-I29 PolarHBondContact O-N 3.13Å
28	K	30.2	Very low	44.9	Very low	217 Å²	217	98.8 Å²	98.8	94%	0.943	57%	0.567	S	S	*	*			trans	-47.7	104.9	173.7	-76.3	176.8	175.3	176.8	0	108.3	D30	K28-D30 PolarHBondContact O-N 3.34Å
29	I	34.7	Very low	47.9	Very low	93 Å²	93	96.6 Å²	96.6	48%	0.477	55%	0.55	S	S	.	*			trans	-62	121.6	-174.2	-62.9	174.4	0	0	0	108.1	S27 G31	S27-I29 PolarHBondContact O-N 3.13Å; I29-G31 PolarHBondContact O-N 3.42Å
30	D	35.1	Very low	51.3	Low	114 Å²	114	93.2 Å²	93.2	61%	0.61	51%	0.511	S	S	*	.			trans	-55.5	106.5	177.1	-165.9	19.3	0	0	0	109.8	K28 F32 K33	K28-D30 PolarHBondContact O-N 3.34Å; D30-F32 PolarHBondContact O-N 2.85Å; D30-F32 WeakPolarHBondContact OD1-CD2 3.35Å; D30-K33 PolarHBondContact O-N 3.39Å
31	G	42.3	Very low	54.6	Low	10 Å²	10	91 Å²	91	10%	0.103	50%	0.503	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	6.1	-172.7	0	0	0	0	0	115.1	F9 I29	F9-G31 WeakPolarHBondContact O-CA 3.47Å; I29-G31 PolarHBondContact O-N 3.42Å
32	F	43.6	Very low	58	Low	103 Å²	103	82.7 Å²	82.7	45%	0.452	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-11.9	179.4	-78.4	-89.2	0	0	0	114.7	R8 D30	R8-F32 VanDerWaalsContact NH2-CE1 3.26Å; D30-F32 PolarHBondContact O-N 2.85Å; D30-F32 WeakPolarHBondContact OD1-CD2 3.35Å
33	K	57.7	Low	61.2	Low	168 Å²	168	74.3 Å²	74.3	73%	0.73	43%	0.432	S	S	*	.	S	Bend	trans	-75.9	-24.7	-168	-155.7	173.5	-176.7	179.2	0	115.3	D30	D30-K33 PolarHBondContact O-N 3.39Å
34	Y	71.6	Confident	64.5	Low	53 Å²	53	70.6 Å²	70.6	21%	0.208	41%	0.405	C	S	.	.			trans	-119.5	106.5	-173.1	-62.3	-78.3	0	0	0	111.9	V13 F36	V13-Y34 HydrophobicContact CG1-CE2 4.24Å; Y34-F36 HydrophobicContact CD1-CZ 4.27Å
35	K	83.2	Confident	67.8	Low	70 Å²	70	65.8 Å²	65.8	30%	0.304	36%	0.364	S	S	.	.			trans	-122.3	123.3	178.7	-69.7	162.5	165.6	-166.9	0	109	F6 K62	F6-K35 HydrophobicContact CD1-CB 4.37Å; F6-K35 HydrophobicContact CD1-CD 3.31Å; F6-K35 HydrophobicContact CD1-CG 3.79Å; F6-K35 VanDerWaalsContact CD1-NZ 3.33Å; F6-K35 HydrophobicContact CE1-CD 3.49Å; F6-K35 VanDerWaalsContact CE1-CD 3.49Å; F6-K35 VanDerWaalsContact CE1-CE 3.42Å; F6-K35 HydrophobicContact CE1-CG 4.43Å; K35-K62 WeakPolarHBondContact O-CD 3.25Å
36	F	89.5	Confident	71.2	Confident	6 Å²	6	62.4 Å²	62.4	3%	0.026	34%	0.339	C	S	.	.			trans	-126.1	154.2	179	-59.3	-74.9	0	0	0	110.4	F9 Y34 V39 K62 A64 Q199 I201	F9-F36 HydrophobicContact CD2-CD2 4.45Å; F9-F36 HydrophobicContact CD2-CE2 4.28Å; F9-F36 AromaticContact CE2-CD2 3.44Å; F9-F36 HydrophobicContact CE2-CD2 3.44Å; F9-F36 VanDerWaalsContact CE2-CD2 3.44Å; F9-F36 AromaticContact CE2-CE2 3.56Å; F9-F36 HydrophobicContact CE2-CE2 3.56Å; F9-F36 AromaticContact CZ-CD2 3.9Å; F9-F36 HydrophobicContact CZ-CD2 3.9Å; F9-F36 HydrophobicContact CZ-CE2 4.01Å; Y34-F36 HydrophobicContact CD1-CZ 4.27Å; F36-V39 HydrophobicContact CB-CG2 3.5Å; F36-V39 HydrophobicContact CD2-CG2 3.84Å; F36-V39 HydrophobicContact CG-CG2 3.97Å; F36-K62 HydrophobicContact CB-CB 4.47Å; F36-K62 WeakPolarHBondContact CB-O 3.15Å; F36-K62 HydrophobicContact CD1-CB 3.97Å; F36-A64 HydrophobicContact CD1-CB 3.67Å; F36-A64 HydrophobicContact CD2-CB 3.61Å; F36-A64 HydrophobicContact CE1-CB 3.68Å; F36-A64 HydrophobicContact CE2-CB 3.62Å; F36-A64 HydrophobicContact CG-CB 3.67Å; F36-A64 HydrophobicContact CZ-CB 3.67Å; F36-Q199 HydrophobicContact CE1-CB 4.02Å; F36-Q199 HydrophobicContact CE1-CG 3.96Å; F36-Q199 HydrophobicContact CZ-CB 4.09Å; F36-Q199 HydrophobicContact CZ-CG 4.24Å; F36-I201 HydrophobicContact CE2-CD1 3.8Å; F36-I201 HydrophobicContact CZ-CD1 3.98Å
37	D	91.1	Very high	74.5	Confident	33 Å²	33	56.6 Å²	56.6	18%	0.176	30%	0.3	C	S	.	.	S	Bend	trans	-83.4	-38.7	172.8	-60.2	-65.8	0	0	0	111	S5 L61 K62	S5-D37 VanDerWaalsContact CB-OD1 3.29Å; S5-D37 WeakPolarHBondContact CB-OD1 3.35Å; S5-D37 PolarHBondContact OG-OD1 3.23Å; D37-L61 HydrophobicContact CB-CB 4.08Å; D37-L61 HydrophobicContact CB-CD2 3.81Å; D37-L61 HydrophobicContact CB-CG 4.39Å; D37-K62 PolarHBondContact N-O 3.11Å; D37-K62 PolarHBondContact OD2-N 3.32Å
38	I	93.4	Very high	77.9	Confident	21 Å²	21	52.8 Å²	52.8	11%	0.108	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.1	177.1	-62.6	-66.7	0	0	0	109.7	V54 L61 K62 V63 A64 F392 L394	I38-V54 HydrophobicContact CB-CG1 4.26Å; I38-V54 HydrophobicContact CG1-CG1 4.14Å; I38-V54 HydrophobicContact CG2-CG1 4.3Å; I38-V54 HydrophobicContact CG2-CG2 4.35Å; I38-L61 HydrophobicContact CG1-CD1 4.24Å; I38-K62 PolarHBondContact N-O 2.9Å; I38-V63 WeakPolarHBondContact O-CA 3.46Å; I38-A64 PolarHBondContact O-N 3.44Å; I38-F392 HydrophobicContact CD1-CD2 3.88Å; I38-F392 HydrophobicContact CD1-CE2 4.38Å; I38-L394 HydrophobicContact CD1-CD1 4.36Å; I38-L394 HydrophobicContact CD1-CD2 4.03Å
39	V	94.3	Very high	81.2	Confident	30 Å²	30	42.5 Å²	42.5	18%	0.182	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	124.4	172.8	179.6	0	0	0	0	110.8	L7 F9 F36 A64 V66 L228	L7-V39 HydrophobicContact CD1-CG2 4.24Å; L7-V39 HydrophobicContact CD2-CB 3.8Å; L7-V39 HydrophobicContact CD2-CG1 4.18Å; L7-V39 HydrophobicContact CD2-CG2 3.3Å; L7-V39 HydrophobicContact CG-CG2 4.2Å; F9-V39 HydrophobicContact CZ-CG1 4.08Å; F9-V39 HydrophobicContact CZ-CG2 4.06Å; F36-V39 HydrophobicContact CB-CG2 3.5Å; F36-V39 HydrophobicContact CD2-CG2 3.84Å; F36-V39 HydrophobicContact CG-CG2 3.97Å; V39-A64 CarbonylContact C-O 3.56Å; V39-A64 WeakPolarHBondContact CA-O 3.39Å; V39-A64 HydrophobicContact CG2-CB 4.11Å; V39-V66 HydrophobicContact CG1-CG1 4.04Å; V39-V66 HydrophobicContact CG1-CG2 4Å; V39-L228 HydrophobicContact CG1-CD2 3.88Å
40	V	97	Very high	84.2	Confident	20 Å²	20	38.5 Å²	38.5	12%	0.121	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.2	173.6	179.4	0	0	0	0	108.7	T50 A51 A64 V65 V66	V40-T50 HydrophobicContact CG2-CG2 4.22Å; V40-A51 HydrophobicContact CB-CB 4.31Å; V40-A51 HydrophobicContact CG2-CB 3.88Å; V40-A64 PolarHBondContact N-O 3.46Å; V40-V65 HydrophobicContact CB-CG2 4.26Å; V40-V65 CarbonylContact O-C 3.51Å; V40-V65 WeakPolarHBondContact O-CA 3.31Å; V40-V66 PolarHBondContact O-N 3.49Å
41	V	94.7	Very high	87.2	Confident	76 Å²	76	33.1 Å²	33.1	46%	0.461	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	114.6	177.4	-178.7	0	0	0	0	109.4	V66 V206 F209 L228	V41-V66 HydrophobicContact CB-CG2 4.27Å; V41-V66 HydrophobicContact CG1-CG2 4.34Å; V41-V66 HydrophobicContact CG2-CG2 3.96Å; V41-V206 HydrophobicContact CB-CG2 4.3Å; V41-V206 HydrophobicContact CG1-CB 3.76Å; V41-V206 HydrophobicContact CG1-CG1 4.35Å; V41-V206 HydrophobicContact CG1-CG2 3.5Å; V41-V206 VanDerWaalsContact CG1-CG2 3.5Å; V41-V206 HydrophobicContact CG2-CG1 4.49Å; V41-V206 HydrophobicContact CG2-CG2 3.86Å; V41-F209 HydrophobicContact CG2-CE1 4.29Å; V41-F209 HydrophobicContact CG2-CZ 4.4Å; V41-L228 HydrophobicContact CG2-CD2 3.92Å
42	G	94.2	Very high	89.9	Confident	28 Å²	28	33.4 Å²	33.4	29%	0.289	18%	0.178	S	C	.	.			trans	112	116.2	-179.2	0	0	0	0	0	113	G44 V66	G42-G44 PolarHBondContact O-N 2.99Å; G42-V66 WeakPolarHBondContact CA-O 3.44Å; G42-V66 PolarHBondContact N-O 2.94Å
43	G	94.7	Very high	92.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.158	C	C	.	.			trans	-86.4	33.4	175.4	0	0	0	0	0	113.8	E67 V72 A73	G43-E67 WeakPolarHBondContact CA-OE2 3.27Å; G43-E67 PolarHBondContact N-OE2 3.07Å; G43-V72 WeakPolarHBondContact O-CB 3.45Å; G43-A73 PolarHBondContact O-N 3.21Å
44	G	96	Very high	94.4	Very high	25 Å²	25	21 Å²	21	26%	0.258	12%	0.124	S	C	.	.	S	Bend	trans	-84.6	171.3	167.4	0	0	0	0	0	112	G42 V46 G47 C48	G42-G44 PolarHBondContact O-N 2.99Å; G44-V46 VanDerWaalsContact C-N 3.31Å; G44-V46 PolarHBondContact O-N 3.06Å; G44-G47 PolarHBondContact O-N 2.65Å; G44-C48 PolarHBondContact O-N 3.22Å
45	I	98	Very high	95.6	Very high	8 Å²	8	18.8 Å²	18.8	4%	0.041	12%	0.116	C	C	.	.	H	α-helix	trans	-54.9	-41	-174.7	-163.8	172.1	0	0	0	114	A49 S77 W182 V185 T186 L189 A374	I45-A49 WeakPolarHBondContact O-CB 3.37Å; I45-A49 PolarHBondContact O-N 3.31Å; I45-S77 PolarHBondContact N-OG 2.85Å; I45-W182 HydrophobicContact CD1-CB 4.46Å; I45-W182 HydrophobicContact CD1-CD2 4.08Å; I45-W182 HydrophobicContact CD1-CE3 3.31Å; I45-W182 HydrophobicContact CD1-CZ3 3.87Å; I45-V185 HydrophobicContact CD1-CG1 4.24Å; I45-T186 HydrophobicContact CB-CG2 4.45Å; I45-T186 VanDerWaalsContact CB-OG1 3.28Å; I45-T186 WeakPolarHBondContact CB-OG1 3.36Å; I45-L189 HydrophobicContact CG1-CD1 3.93Å; I45-A374 HydrophobicContact CD1-CB 4.21Å; I45-A374 HydrophobicContact CG2-CB 4.24Å
46	V	98	Very high	96.2	Very high	24 Å²	24	19.7 Å²	19.7	15%	0.145	12%	0.122	C	C	.	.	H	α-helix	trans	-66.6	-42.1	177.3	174.1	0	0	0	0	110.8	G44 T50 T366 A373 I380 I384	G44-V46 VanDerWaalsContact C-N 3.31Å; G44-V46 PolarHBondContact O-N 3.06Å; V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.29Å; V46-T50 PolarHBondContact O-N 3.03Å; V46-T50 PolarHBondContact O-OG1 3.15Å; V46-T366 HydrophobicContact CG1-CG2 4.43Å; V46-A373 HydrophobicContact CG2-CB 4.07Å; V46-I380 HydrophobicContact CG1-CG2 3.76Å; V46-I380 HydrophobicContact CG2-CD1 4.49Å; V46-I384 HydrophobicContact CG1-CD1 3.98Å
47	G	98.1	Very high	96.5	Very high	10 Å²	10	22.8 Å²	22.8	10%	0.103	13%	0.133	C	C	.	.	H	α-helix	trans	-66.5	-48.6	179.1	0	0	0	0	0	112.2	G44 A49 T50 A51	G44-G47 PolarHBondContact O-N 2.65Å; G47-A49 PolarHBondContact O-N 2.86Å; G47-T50 PolarHBondContact O-N 3.47Å; G47-A51 PolarHBondContact O-N 2.64Å
48	C	98.6	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.4	-42.5	176.2	-64.2	0	0	0	0	112.3	G44 T50 R52 T186 L189	G44-C48 PolarHBondContact O-N 3.22Å; C48-T50 VanDerWaalsContact C-N 3.33Å; C48-T50 PolarHBondContact O-N 3.29Å; C48-R52 WeakPolarHBondContact O-CB 3.46Å; C48-R52 PolarHBondContact O-N 3.25Å; C48-T186 HydrophobicContact CB-CG2 4.2Å; C48-L189 HydrophobicContact CB-CB 3.97Å
49	A	98.7	Very high	96.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-61.7	-42	175.2	0	0	0	0	0	111.9	I45 G47 E53 L189 L378 A381	I45-A49 WeakPolarHBondContact O-CB 3.37Å; I45-A49 PolarHBondContact O-N 3.31Å; G47-A49 PolarHBondContact O-N 2.86Å; A49-E53 WeakPolarHBondContact O-CB 3.35Å; A49-E53 PolarHBondContact O-N 3.49Å; A49-L189 HydrophobicContact CB-CD1 4.07Å; A49-L378 HydrophobicContact CB-CD2 4.26Å; A49-A381 VanDerWaalsContact C-CB 3.49Å; A49-A381 HydrophobicContact CB-CB 3.87Å; A49-A381 WeakPolarHBondContact O-CB 3.48Å
50	T	98.6	Very high	96.7	Very high	10 Å²	10	32 Å²	32	6%	0.061	18%	0.178	C	C	.	.	H	α-helix	trans	-63.8	-50.8	178.3	-59.2	0	0	0	0	111.2	V40 V46 G47 C48 R52 E53 V54 I384 V385	V40-T50 HydrophobicContact CG2-CG2 4.22Å; V46-T50 VanDerWaalsContact O-CB 3.3Å; V46-T50 WeakPolarHBondContact O-CB 3.29Å; V46-T50 PolarHBondContact O-N 3.03Å; V46-T50 PolarHBondContact O-OG1 3.15Å; G47-T50 PolarHBondContact O-N 3.47Å; C48-T50 VanDerWaalsContact C-N 3.33Å; C48-T50 PolarHBondContact O-N 3.29Å; T50-R52 VanDerWaalsContact C-N 3.32Å; T50-R52 PolarHBondContact O-N 3.04Å; T50-E53 PolarHBondContact O-N 3.23Å; T50-E53 VanDerWaalsContact O-N 3.15Å; T50-V54 WeakPolarHBondContact O-CG2 3.4Å; T50-V54 PolarHBondContact O-N 3.44Å; T50-I384 HydrophobicContact CG2-CB 4.11Å; T50-I384 HydrophobicContact CG2-CD1 4.44Å; T50-I384 HydrophobicContact CG2-CG2 3.54Å; T50-I384 WeakPolarHBondContact OG1-CD1 3.36Å; T50-V385 HydrophobicContact CG2-CG2 4.34Å
51	A	98.5	Very high	96.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-41.4	-179.9	0	0	0	0	0	112	V40 G47 V54 A55 V63 V65 L193	V40-A51 HydrophobicContact CB-CB 4.31Å; V40-A51 HydrophobicContact CG2-CB 3.88Å; G47-A51 PolarHBondContact O-N 2.64Å; A51-V54 PolarHBondContact O-N 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.4Å; A51-A55 PolarHBondContact O-N 3.11Å; A51-V63 HydrophobicContact CB-CG1 3.98Å; A51-V65 HydrophobicContact CB-CG2 3.26Å; A51-L193 HydrophobicContact CB-CD1 4.15Å; A51-L193 HydrophobicContact CB-CD2 3.75Å
52	R	98.2	Very high	96.4	Very high	17 Å²	17	34.6 Å²	34.6	6%	0.064	18%	0.183	C	C	.	.	H	α-helix	trans	-58.2	-48.9	172.2	176.8	-168.6	169.6	-75.5	-6.2	111.5	C48 T50 V54 A55 E56 L189 D192	C48-R52 WeakPolarHBondContact O-CB 3.46Å; C48-R52 PolarHBondContact O-N 3.25Å; T50-R52 VanDerWaalsContact C-N 3.32Å; T50-R52 PolarHBondContact O-N 3.04Å; R52-V54 VanDerWaalsContact C-N 3.32Å; R52-V54 PolarHBondContact O-N 2.92Å; R52-A55 PolarHBondContact O-N 3.02Å; R52-E56 HydrophobicContact CG-CG 4.49Å; R52-E56 VanDerWaalsContact CZ-CD 3.4Å; R52-E56 IonicContact CZ-OE1 3.73Å; R52-E56 IonicContact CZ-OE2 3.19Å; R52-E56 IonicContact NE-OE1 2.71Å; R52-E56 IonicContact NH1-OE1 3.33Å; R52-E56 IonicContact NH1-OE2 2.89Å; R52-E56 PolarHBondContact NH1-OE2 3.25Å; R52-E56 VanDerWaalsContact NH2-CD 3.27Å; R52-E56 IonicContact NH2-OE1 3.7Å; R52-E56 PolarHBondContact NH2-OE1 2.84Å; R52-E56 IonicContact NH2-OE2 3.19Å; R52-E56 PolarHBondContact NH2-OE2 3.08Å; R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.35Å; R52-L189 VanDerWaalsContact CD-CD2 3.43Å; R52-D192 HydrophobicContact CG-CB 3.94Å; R52-D192 IonicContact CZ-OD2 2.62Å; R52-D192 IonicContact NE-OD2 3.61Å; R52-D192 PolarHBondContact NE-OD2 3.45Å
53	E	98.2	Very high	96.4	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.037	17%	0.17	C	C	.	.	H	α-helix	trans	-62.9	-37.7	-180	-173.6	78.4	-165.9	0	0	111.8	A49 T50 R57 A381 K382 V385	A49-E53 WeakPolarHBondContact O-CB 3.35Å; A49-E53 PolarHBondContact O-N 3.49Å; T50-E53 PolarHBondContact O-N 3.23Å; T50-E53 VanDerWaalsContact O-N 3.15Å; E53-R57 WeakPolarHBondContact O-CG 3.48Å; E53-R57 PolarHBondContact O-N 2.86Å; E53-R57 VanDerWaalsContact O-N 3.08Å; E53-R57 IonicContact OE1-CZ 3.54Å; E53-R57 IonicContact OE1-NE 3.08Å; E53-R57 PolarHBondContact OE1-NE 2.86Å; E53-R57 IonicContact OE1-NH2 3.23Å; E53-R57 PolarHBondContact OE1-NH2 3.39Å; E53-A381 HydrophobicContact CB-CB 4.04Å; E53-K382 HydrophobicContact CG-CG 4.37Å; E53-K382 WeakPolarHBondContact OE1-CG 3.29Å; E53-K382 IonicContact OE1-NZ 3.54Å; E53-K382 PolarHBondContact OE1-NZ 3.23Å; E53-K382 IonicContact OE2-NZ 2.59Å; E53-V385 HydrophobicContact CB-CG2 3.9Å; E53-V385 HydrophobicContact CG-CB 4.16Å; E53-V385 HydrophobicContact CG-CG2 3.77Å
54	V	97.6	Very high	96.4	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-61.6	-50	172.8	177.9	0	0	0	0	110.4	I38 T50 A51 R52 E56 R57 Y58 L61 V63 V385	I38-V54 HydrophobicContact CB-CG1 4.26Å; I38-V54 HydrophobicContact CG1-CG1 4.14Å; I38-V54 HydrophobicContact CG2-CG1 4.3Å; I38-V54 HydrophobicContact CG2-CG2 4.35Å; T50-V54 WeakPolarHBondContact O-CG2 3.4Å; T50-V54 PolarHBondContact O-N 3.44Å; A51-V54 PolarHBondContact O-N 3.3Å; R52-V54 VanDerWaalsContact C-N 3.32Å; R52-V54 PolarHBondContact O-N 2.92Å; V54-E56 VanDerWaalsContact C-N 3.3Å; V54-E56 PolarHBondContact O-N 3.38Å; V54-R57 PolarHBondContact O-N 3.23Å; V54-Y58 HydrophobicContact CG1-CD2 4.35Å; V54-Y58 WeakPolarHBondContact O-CB 3.49Å; V54-Y58 PolarHBondContact O-N 3.49Å; V54-L61 HydrophobicContact CG1-CD1 4.43Å; V54-V63 HydrophobicContact CB-CG1 4.43Å; V54-V63 HydrophobicContact CB-CG2 4.24Å; V54-V63 HydrophobicContact CG1-CG1 4.47Å; V54-V63 HydrophobicContact CG1-CG2 3.61Å; V54-V385 HydrophobicContact CB-CG2 4.48Å; V54-V385 HydrophobicContact CG2-CG1 4.36Å; V54-V385 HydrophobicContact CG2-CG2 3.49Å; V54-V385 VanDerWaalsContact CG2-CG2 3.49Å
55	A	96.9	Very high	96.4	Very high	6 Å²	6	32.2 Å²	32.2	5%	0.05	16%	0.158	C	C	.	.	H	α-helix	trans	-62.5	-36.9	-178.5	0	0	0	0	0	112.3	A51 R52 P59 V63 L193	A51-A55 WeakPolarHBondContact O-CB 3.4Å; A51-A55 PolarHBondContact O-N 3.11Å; R52-A55 PolarHBondContact O-N 3.02Å; A55-P59 WeakPolarHBondContact O-CA 3.31Å; A55-V63 HydrophobicContact CB-CG2 4.31Å; A55-L193 HydrophobicContact CB-CD1 3.82Å
56	E	95.8	Very high	96.2	Very high	90 Å²	90	31.9 Å²	31.9	42%	0.421	16%	0.156	S	C	.	.	H	α-helix	trans	-67.6	-41.2	176.1	-75.2	-173.2	152.5	0	0	112.7	R52 V54	R52-E56 HydrophobicContact CG-CG 4.49Å; R52-E56 VanDerWaalsContact CZ-CD 3.4Å; R52-E56 IonicContact CZ-OE1 3.73Å; R52-E56 IonicContact CZ-OE2 3.19Å; R52-E56 IonicContact NE-OE1 2.71Å; R52-E56 IonicContact NH1-OE1 3.33Å; R52-E56 IonicContact NH1-OE2 2.89Å; R52-E56 PolarHBondContact NH1-OE2 3.25Å; R52-E56 VanDerWaalsContact NH2-CD 3.27Å; R52-E56 IonicContact NH2-OE1 3.7Å; R52-E56 PolarHBondContact NH2-OE1 2.84Å; R52-E56 IonicContact NH2-OE2 3.19Å; R52-E56 PolarHBondContact NH2-OE2 3.08Å; R52-E56 WeakPolarHBondContact O-CG 3.49Å; R52-E56 PolarHBondContact O-N 3.35Å; V54-E56 VanDerWaalsContact C-N 3.3Å; V54-E56 PolarHBondContact O-N 3.38Å
57	R	96.4	Very high	95.7	Very high	71 Å²	71	31.4 Å²	31.4	27%	0.268	15%	0.152	S	C	.	.	H	α-helix	trans	-81.1	-31.4	-178.3	-67.3	-169.6	-168.5	-170.7	7.8	113.3	E53 V54 P59 D386 N396	E53-R57 WeakPolarHBondContact O-CG 3.48Å; E53-R57 PolarHBondContact O-N 2.86Å; E53-R57 VanDerWaalsContact O-N 3.08Å; E53-R57 IonicContact OE1-CZ 3.54Å; E53-R57 IonicContact OE1-NE 3.08Å; E53-R57 PolarHBondContact OE1-NE 2.86Å; E53-R57 IonicContact OE1-NH2 3.23Å; E53-R57 PolarHBondContact OE1-NH2 3.39Å; V54-R57 PolarHBondContact O-N 3.23Å; R57-P59 WeakPolarHBondContact O-CD 3.3Å; R57-D386 IonicContact CZ-OD1 3.55Å; R57-D386 IonicContact NH1-OD1 3.66Å; R57-D386 PolarHBondContact NH1-OD1 2.83Å; R57-D386 IonicContact NH2-OD1 2.96Å; R57-N396 PolarHBondContact O-OD1 2.89Å; R57-N396 VanDerWaalsContact O-OD1 3.11Å
58	Y	95.7	Very high	95.3	Very high	23 Å²	23	33.3 Å²	33.3	9%	0.09	16%	0.158	C	C	.	.			trans	-128.4	68.9	-173.7	-56.6	-84.8	0	0	0	111.1	V54 K60 L61 V385 A389 L394 N396	V54-Y58 HydrophobicContact CG1-CD2 4.35Å; V54-Y58 WeakPolarHBondContact O-CB 3.49Å; V54-Y58 PolarHBondContact O-N 3.49Å; Y58-K60 PolarHBondContact O-N 3.33Å; Y58-L61 VanDerWaalsContact CB-CD1 3.48Å; Y58-L61 HydrophobicContact CD1-CD1 4.34Å; Y58-L61 HydrophobicContact CD2-CD1 4.45Å; Y58-L61 HydrophobicContact CG-CD1 3.87Å; Y58-L61 WeakPolarHBondContact O-CB 3.38Å; Y58-L61 PolarHBondContact O-N 3.17Å; Y58-V385 HydrophobicContact CD2-CG1 4.48Å; Y58-V385 HydrophobicContact CE2-CG1 3.83Å; Y58-A389 VanDerWaalsContact OH-CB 3.24Å; Y58-A389 WeakPolarHBondContact OH-CB 3.36Å; Y58-L394 HydrophobicContact CD1-CB 4.27Å; Y58-L394 HydrophobicContact CD2-CD1 4.42Å; Y58-L394 HydrophobicContact CE1-CB 3.68Å; Y58-L394 HydrophobicContact CE2-CB 4.25Å; Y58-L394 HydrophobicContact CE2-CD1 4.07Å; Y58-N396 WeakPolarHBondContact CD1-OD1 3.47Å; Y58-N396 VanDerWaalsContact CE1-OD1 3.25Å; Y58-N396 WeakPolarHBondContact CE1-OD1 3.33Å
59	P	94	Very high	94.7	Very high	103 Å²	103	35.8 Å²	35.8	67%	0.669	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-12.7	-171.6	25.7	-36.4	0	0	0	114.7	A55 R57	A55-P59 WeakPolarHBondContact O-CA 3.31Å; R57-P59 WeakPolarHBondContact O-CD 3.3Å
60	K	92.3	Very high	93.9	Very high	151 Å²	151	40 Å²	40	66%	0.657	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-16	175.2	-65.3	179.7	-179.3	171.7	0	113	Y58 G397	Y58-K60 PolarHBondContact O-N 3.33Å; K60-G397 PolarHBondContact NZ-O 2.71Å
61	L	92.4	Very high	93.3	Very high	25 Å²	25	44 Å²	44	13%	0.131	21%	0.21	C	C	.	.	S	Bend	trans	-80.9	137.8	-179.1	-63.5	-176.2	0	0	0	110.7	D37 I38 V54 Y58 V63 L394	D37-L61 HydrophobicContact CB-CB 4.08Å; D37-L61 HydrophobicContact CB-CD2 3.81Å; D37-L61 HydrophobicContact CB-CG 4.39Å; I38-L61 HydrophobicContact CG1-CD1 4.24Å; V54-L61 HydrophobicContact CG1-CD1 4.43Å; Y58-L61 VanDerWaalsContact CB-CD1 3.48Å; Y58-L61 HydrophobicContact CD1-CD1 4.34Å; Y58-L61 HydrophobicContact CD2-CD1 4.45Å; Y58-L61 HydrophobicContact CG-CD1 3.87Å; Y58-L61 WeakPolarHBondContact O-CB 3.38Å; Y58-L61 PolarHBondContact O-N 3.17Å; L61-V63 HydrophobicContact CB-CG2 4.27Å; L61-V63 PolarHBondContact O-N 2.84Å; L61-L394 HydrophobicContact CD1-CD2 4.16Å
62	K	92.6	Very high	93.1	Very high	126 Å²	126	44.5 Å²	44.5	55%	0.548	21%	0.213	S	C	.	.			trans	-78.9	109.1	169.4	-65.9	-178.8	-178.8	-179.6	0	108.6	K35 F36 D37 I38	K35-K62 WeakPolarHBondContact O-CD 3.25Å; F36-K62 HydrophobicContact CB-CB 4.47Å; F36-K62 WeakPolarHBondContact CB-O 3.15Å; F36-K62 HydrophobicContact CD1-CB 3.97Å; D37-K62 PolarHBondContact N-O 3.11Å; D37-K62 PolarHBondContact OD2-N 3.32Å; I38-K62 PolarHBondContact N-O 2.9Å
63	V	95.3	Very high	92.8	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	136	-177.7	-173	0	0	0	0	110.5	I38 A51 V54 A55 L61 L193 G198 Q199	I38-V63 WeakPolarHBondContact O-CA 3.46Å; A51-V63 HydrophobicContact CB-CG1 3.98Å; V54-V63 HydrophobicContact CB-CG1 4.43Å; V54-V63 HydrophobicContact CB-CG2 4.24Å; V54-V63 HydrophobicContact CG1-CG1 4.47Å; V54-V63 HydrophobicContact CG1-CG2 3.61Å; A55-V63 HydrophobicContact CB-CG2 4.31Å; L61-V63 HydrophobicContact CB-CG2 4.27Å; L61-V63 PolarHBondContact O-N 2.84Å; V63-L193 HydrophobicContact CB-CD1 4.14Å; V63-L193 HydrophobicContact CG1-CD1 4Å; V63-G198 CarbonylContact O-C 3.4Å; V63-G198 VanDerWaalsContact O-CA 3.24Å; V63-G198 WeakPolarHBondContact O-CA 3.44Å; V63-Q199 PolarHBondContact O-N 2.76Å
64	A	94.9	Very high	92.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.2	170.7	0	0	0	0	0	113.1	F36 I38 V39 V40 Q199 I201	F36-A64 HydrophobicContact CD1-CB 3.67Å; F36-A64 HydrophobicContact CD2-CB 3.61Å; F36-A64 HydrophobicContact CE1-CB 3.68Å; F36-A64 HydrophobicContact CE2-CB 3.62Å; F36-A64 HydrophobicContact CG-CB 3.67Å; F36-A64 HydrophobicContact CZ-CB 3.67Å; I38-A64 PolarHBondContact O-N 3.44Å; V39-A64 CarbonylContact C-O 3.56Å; V39-A64 WeakPolarHBondContact CA-O 3.39Å; V39-A64 HydrophobicContact CG2-CB 4.11Å; V40-A64 PolarHBondContact N-O 3.46Å; A64-Q199 CarbonylContact C-O 3.58Å; A64-Q199 VanDerWaalsContact CA-O 3.25Å; A64-Q199 WeakPolarHBondContact CA-O 3.02Å; A64-Q199 HydrophobicContact CB-CB 4.4Å; A64-I201 HydrophobicContact CB-CD1 4.5Å
65	V	96.3	Very high	91.7	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	132.7	160.8	176	0	0	0	0	107.9	V40 A51 L193 Q199 I201	V40-V65 HydrophobicContact CB-CG2 4.26Å; V40-V65 CarbonylContact O-C 3.51Å; V40-V65 WeakPolarHBondContact O-CA 3.31Å; A51-V65 HydrophobicContact CB-CG2 3.26Å; V65-L193 HydrophobicContact CB-CD2 4.34Å; V65-L193 HydrophobicContact CG2-CD2 3.58Å; V65-Q199 PolarHBondContact N-O 2.89Å; V65-I201 PolarHBondContact O-N 3.26Å
66	V	92.4	Very high	91.4	Very high	1 Å²	1	50.8 Å²	50.8	1%	0.006	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	130.5	170.2	-63	0	0	0	0	111	F9 V39 V40 V41 G42 I201 F204 V206 L228	F9-V66 HydrophobicContact CD1-CG1 4.3Å; F9-V66 HydrophobicContact CE1-CG1 3.34Å; F9-V66 HydrophobicContact CZ-CG1 3.91Å; V39-V66 HydrophobicContact CG1-CG1 4.04Å; V39-V66 HydrophobicContact CG1-CG2 4Å; V40-V66 PolarHBondContact O-N 3.49Å; V41-V66 HydrophobicContact CB-CG2 4.27Å; V41-V66 HydrophobicContact CG1-CG2 4.34Å; V41-V66 HydrophobicContact CG2-CG2 3.96Å; G42-V66 WeakPolarHBondContact CA-O 3.44Å; G42-V66 PolarHBondContact N-O 2.94Å; V66-I201 CarbonylContact C-O 3.51Å; V66-I201 WeakPolarHBondContact CA-O 3.5Å; V66-I201 HydrophobicContact CG1-CB 3.97Å; V66-I201 HydrophobicContact CG1-CD1 4.21Å; V66-I201 HydrophobicContact CG1-CG2 4.26Å; V66-F204 HydrophobicContact CB-CB 4.29Å; V66-F204 HydrophobicContact CB-CD1 3.82Å; V66-F204 HydrophobicContact CB-CG 4.33Å; V66-F204 HydrophobicContact CG1-CD1 4.11Å; V66-F204 HydrophobicContact CG1-CG 4.47Å; V66-F204 HydrophobicContact CG2-CD1 4.09Å; V66-V206 HydrophobicContact CG2-CG2 3.59Å; V66-L228 HydrophobicContact CG2-CD2 4.32Å
67	E	89.4	Confident	91.2	Very high	13 Å²	13	47 Å²	47	6%	0.061	23%	0.229	C	C	.	.			trans	-128.3	134	-175.4	173.8	50.7	-104.4	0	0	109.2	G43 E69 I201 T202 N203 F204	G43-E67 WeakPolarHBondContact CA-OE2 3.27Å; G43-E67 PolarHBondContact N-OE2 3.07Å; E67-E69 HydrophobicContact CG-CB 4.2Å; E67-E69 PolarHBondContact OE1-N 3.27Å; E67-I201 PolarHBondContact N-O 2.71Å; E67-T202 HydrophobicContact CB-CG2 4.26Å; E67-T202 HydrophobicContact CG-CG2 4.46Å; E67-T202 CarbonylContact O-C 3.51Å; E67-T202 VanDerWaalsContact O-C 3.31Å; E67-T202 WeakPolarHBondContact O-CA 3.37Å; E67-N203 PolarHBondContact O-N 3.41Å; E67-F204 CarbonylContact C-O 3.51Å; E67-F204 PolarHBondContact O-N 2.67Å
68	K	88.7	Confident	90.8	Very high	50 Å²	50	45.3 Å²	45.3	22%	0.217	23%	0.228	C	C	.	.	S	Bend	trans	-72.7	-33.3	-179.5	62.2	169	-174.5	163.3	0	112.5	H75 N203 F204 C205 E267	K68-H75 WeakPolarHBondContact CE-NE2 3.43Å; K68-N203 WeakPolarHBondContact O-CA 3.38Å; K68-F204 WeakPolarHBondContact CA-O 3.42Å; K68-F204 PolarHBondContact N-O 2.83Å; K68-C205 HydrophobicContact CB-CB 3.46Å; K68-C205 VanDerWaalsContact CB-CB 3.46Å; K68-E267 IonicContact NZ-OE1 2.65Å; K68-E267 PolarHBondContact NZ-OE1 3.35Å; K68-E267 IonicContact NZ-OE2 2.65Å; K68-E267 PolarHBondContact NZ-OE2 3.44Å
69	E	86.1	Confident	90.4	Very high	53 Å²	53	48.7 Å²	48.7	25%	0.248	24%	0.241	C	C	.	.	S	Bend	trans	-77.6	168.7	179	-58.1	-55.2	142.9	0	0	110.7	E67 Q71 V74 H75 T202 N203	E67-E69 HydrophobicContact CG-CB 4.2Å; E67-E69 PolarHBondContact OE1-N 3.27Å; E69-Q71 PolarHBondContact O-N 3.43Å; E69-V74 HydrophobicContact CB-CB 4.13Å; E69-V74 HydrophobicContact CB-CG1 4.46Å; E69-V74 HydrophobicContact CB-CG2 3.92Å; E69-V74 HydrophobicContact CG-CB 3.92Å; E69-V74 HydrophobicContact CG-CG1 3.98Å; E69-V74 HydrophobicContact CG-CG2 4.28Å; E69-H75 WeakPolarHBondContact CG-NE2 3.21Å; E69-H75 IonicContact OE1-CE1 3.8Å; E69-H75 PolarHBondContact OE1-CE1 2.78Å; E69-H75 IonicContact OE1-NE2 2.69Å; E69-H75 PolarHBondContact OE1-NE2 3.25Å; E69-H75 VanDerWaalsContact OE1-NE2 3.08Å; E69-T202 WeakPolarHBondContact O-CB 3.48Å; E69-N203 PolarHBondContact O-N 3.29Å
70	D	82.2	Confident	90.1	Very high	88 Å²	88	46 Å²	46	47%	0.471	22%	0.22	S	C	.	.	S	Bend	trans	-70.9	-15.4	177.4	70	-2.1	0	0	0	113.4	T202	D70-T202 WeakPolarHBondContact O-CB 3.43Å; D70-T202 WeakPolarHBondContact O-CG2 3.43Å; D70-T202 PolarHBondContact O-OG1 2.62Å
71	Q	86.3	Confident	89.9	Confident	93 Å²	93	40.1 Å²	40.1	44%	0.435	20%	0.198	S	C	.	.	S	Bend	trans	-144.2	154.6	-176.1	-70.9	170	82.4	0	0	111.2	E69 V74	E69-Q71 PolarHBondContact O-N 3.43Å; Q71-V74 HydrophobicContact CB-CG2 4.06Å; Q71-V74 VanDerWaalsContact O-CG2 3.31Å; Q71-V74 WeakPolarHBondContact O-CG2 3.32Å
72	V	92.8	Very high	90	Very high	12 Å²	12	39.1 Å²	39.1	7%	0.073	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	157.4	170.4	-61.8	0	0	0	0	111.6	G43 V74 K187 V200	G43-V72 WeakPolarHBondContact O-CB 3.45Å; V72-V74 VanDerWaalsContact C-N 3.31Å; V72-V74 PolarHBondContact O-N 2.87Å; V72-K187 HydrophobicContact CG2-CG 3.87Å; V72-V200 HydrophobicContact CG1-CG1 3.77Å
73	A	92.1	Very high	90.2	Very high	4 Å²	4	33.7 Å²	33.7	3%	0.033	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.1	14	174	0	0	0	0	0	117.3	G43 H75 S78 A183 T186	G43-A73 PolarHBondContact O-N 3.21Å; A73-H75 VanDerWaalsContact C-N 3.29Å; A73-H75 PolarHBondContact O-N 3.49Å; A73-S78 WeakPolarHBondContact O-CB 3.27Å; A73-S78 PolarHBondContact O-N 2.77Å; A73-S78 PolarHBondContact O-OG 3.34Å; A73-A183 HydrophobicContact CB-CB 4.33Å; A73-T186 HydrophobicContact CB-CG2 3.67Å
74	V	85.6	Confident	90.3	Very high	43 Å²	43	33.6 Å²	33.6	26%	0.261	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-30.7	-176.6	169.6	0	0	0	0	113.9	E69 Q71 V72 S78	E69-V74 HydrophobicContact CB-CB 4.13Å; E69-V74 HydrophobicContact CB-CG1 4.46Å; E69-V74 HydrophobicContact CB-CG2 3.92Å; E69-V74 HydrophobicContact CG-CB 3.92Å; E69-V74 HydrophobicContact CG-CG1 3.98Å; E69-V74 HydrophobicContact CG-CG2 4.28Å; Q71-V74 HydrophobicContact CB-CG2 4.06Å; Q71-V74 VanDerWaalsContact O-CG2 3.31Å; Q71-V74 WeakPolarHBondContact O-CG2 3.32Å; V72-V74 VanDerWaalsContact C-N 3.31Å; V72-V74 PolarHBondContact O-N 2.87Å; V74-S78 PolarHBondContact O-OG 3Å
75	H	88.6	Confident	90.4	Very high	37 Å²	37	35 Å²	35	17%	0.171	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-121.9	-176.2	-55	-78.4	0	0	0	112.8	K68 E69 A73 S77 S78 R79 E267 Y269	K68-H75 WeakPolarHBondContact CE-NE2 3.43Å; E69-H75 WeakPolarHBondContact CG-NE2 3.21Å; E69-H75 IonicContact OE1-CE1 3.8Å; E69-H75 PolarHBondContact OE1-CE1 2.78Å; E69-H75 IonicContact OE1-NE2 2.69Å; E69-H75 PolarHBondContact OE1-NE2 3.25Å; E69-H75 VanDerWaalsContact OE1-NE2 3.08Å; A73-H75 VanDerWaalsContact C-N 3.29Å; A73-H75 PolarHBondContact O-N 3.49Å; H75-S77 PolarHBondContact O-N 3.3Å; H75-S77 VanDerWaalsContact O-N 3.12Å; H75-S78 PolarHBondContact O-N 3.43Å; H75-S78 VanDerWaalsContact O-N 3.12Å; H75-S78 PolarHBondContact O-OG 3.28Å; H75-R79 WeakPolarHBondContact O-CB 3.47Å; H75-R79 WeakPolarHBondContact O-CG 3.42Å; H75-R79 PolarHBondContact O-N 3.5Å; H75-E267 IonicContact CE1-OE1 3.82Å; H75-E267 PolarHBondContact CE1-OE1 2.88Å; H75-E267 IonicContact ND1-OE1 3.51Å; H75-E267 PolarHBondContact ND1-OE1 2.76Å; H75-E267 IonicContact NE2-OE1 3.66Å; H75-Y269 PolarHBondContact ND1-OH 3.36Å; H75-Y269 VanDerWaalsContact ND1-OH 3.12Å
76	Q	89.4	Confident	90.4	Very high	80 Å²	80	35.2 Å²	35.2	37%	0.374	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.8	-170.6	-75	177	2.9	0	0	114	S78 R79 N80 V335	Q76-S78 VanDerWaalsContact C-N 3.31Å; Q76-S78 PolarHBondContact O-N 2.94Å; Q76-R79 PolarHBondContact O-N 2.99Å; Q76-N80 PolarHBondContact O-ND2 3.38Å; Q76-V335 WeakPolarHBondContact CG-O 3.27Å; Q76-V335 PolarHBondContact NE2-O 2.76Å; Q76-V335 VanDerWaalsContact NE2-O 3.15Å
77	S	92.9	Very high	90.5	Very high	11 Å²	11	35.2 Å²	35.2	8%	0.077	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.6	-178.6	-61.7	0	0	0	0	113.8	I45 H75 N80 W182 A183	I45-S77 PolarHBondContact N-OG 2.85Å; H75-S77 PolarHBondContact O-N 3.3Å; H75-S77 VanDerWaalsContact O-N 3.12Å; S77-N80 PolarHBondContact O-ND2 2.81Å; S77-W182 CarbonylContact O-C 3.44Å; S77-W182 WeakPolarHBondContact O-CB 3.47Å; S77-A183 PolarHBondContact O-N 2.76Å
78	S	88	Confident	90.7	Very high	35 Å²	35	34.7 Å²	34.7	25%	0.245	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-18.4	173.5	59.6	0	0	0	0	113.8	A73 V74 H75 Q76	A73-S78 WeakPolarHBondContact O-CB 3.27Å; A73-S78 PolarHBondContact O-N 2.77Å; A73-S78 PolarHBondContact O-OG 3.34Å; V74-S78 PolarHBondContact O-OG 3Å; H75-S78 PolarHBondContact O-N 3.43Å; H75-S78 VanDerWaalsContact O-N 3.12Å; H75-S78 PolarHBondContact O-OG 3.28Å; Q76-S78 VanDerWaalsContact C-N 3.31Å; Q76-S78 PolarHBondContact O-N 2.94Å
79	R	85.6	Confident	90.9	Very high	95 Å²	95	36.4 Å²	36.4	36%	0.358	18%	0.182	S	C	.	.	S	Bend	trans	-105.3	47.1	-174.8	-61.1	-179.3	177	-115.5	2.4	113.2	H75 Q76 Y269	H75-R79 WeakPolarHBondContact O-CB 3.47Å; H75-R79 WeakPolarHBondContact O-CG 3.42Å; H75-R79 PolarHBondContact O-N 3.5Å; Q76-R79 PolarHBondContact O-N 2.99Å; R79-Y269 VanDerWaalsContact NH1-CG 3.33Å
80	N	88.2	Confident	91.2	Very high	46 Å²	46	35.3 Å²	35.3	25%	0.246	18%	0.176	C	C	.	.	S	Bend	trans	-134	176.4	175.3	71.2	73.1	0	0	0	110.6	Q76 S77 G82 R249	Q76-N80 PolarHBondContact O-ND2 3.38Å; S77-N80 PolarHBondContact O-ND2 2.81Å; N80-G82 PolarHBondContact O-N 3.27Å; N80-G82 VanDerWaalsContact O-N 3.16Å; N80-G82 PolarHBondContact OD1-N 2.97Å; N80-R249 PolarHBondContact O-NH2 3.08Å
81	S	87.9	Confident	91.8	Very high	28 Å²	28	34.7 Å²	34.7	20%	0.196	18%	0.176	C	C	.	.			trans	-68.5	-10.6	-174.1	56.5	0	0	0	0	115.1	V83	S81-V83 PolarHBondContact O-N 3.02Å; S81-V83 WeakPolarHBondContact OG-CG2 3.37Å
82	G	94.3	Very high	92.2	Very high	4 Å²	4	32.5 Å²	32.5	4%	0.041	17%	0.17	C	C	.	.			trans	79.2	3	-175.7	0	0	0	0	0	113.7	N80 I84 I179 V180 W182	N80-G82 PolarHBondContact O-N 3.27Å; N80-G82 VanDerWaalsContact O-N 3.16Å; N80-G82 PolarHBondContact OD1-N 2.97Å; G82-I84 PolarHBondContact O-N 3.39Å; G82-I179 CarbonylContact O-C 3.58Å; G82-I179 VanDerWaalsContact O-CA 3.31Å; G82-I179 WeakPolarHBondContact O-CA 3.49Å; G82-V180 CarbonylContact C-O 3.58Å; G82-V180 WeakPolarHBondContact CA-O 3.13Å; G82-V180 PolarHBondContact O-N 2.89Å; G82-W182 PolarHBondContact O-NE1 3.09Å
83	V	96.7	Very high	92.4	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.073	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	131.9	-173.6	174.6	0	0	0	0	111.5	S81 T177 G178 W182 T375	S81-V83 PolarHBondContact O-N 3.02Å; S81-V83 WeakPolarHBondContact OG-CG2 3.37Å; V83-T177 HydrophobicContact CG1-CG2 3.96Å; V83-G178 CarbonylContact C-O 3.41Å; V83-G178 WeakPolarHBondContact CA-O 3.22Å; V83-W182 WeakPolarHBondContact O-CZ2 3.44Å; V83-W182 PolarHBondContact O-NE1 3.42Å; V83-T375 PolarHBondContact O-OG1 2.78Å
84	I	98.3	Very high	92.5	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	103.7	164	-49.7	176	0	0	0	107.4	G82 L104 V107 Y108 L111 T177 G178 V180 W182 T375	G82-I84 PolarHBondContact O-N 3.39Å; I84-L104 HydrophobicContact CG2-CD1 3.56Å; I84-V107 HydrophobicContact CD1-CG1 4.32Å; I84-V107 HydrophobicContact CG2-CG1 4.33Å; I84-Y108 HydrophobicContact CD1-CD1 4.4Å; I84-Y108 HydrophobicContact CD1-CE1 3.64Å; I84-Y108 HydrophobicContact CG2-CE2 4.44Å; I84-L111 HydrophobicContact CD1-CD1 3.9Å; I84-T177 WeakPolarHBondContact O-CA 3.38Å; I84-T177 WeakPolarHBondContact O-CG2 3.24Å; I84-G178 PolarHBondContact N-O 2.98Å; I84-G178 PolarHBondContact O-N 3.1Å; I84-G178 VanDerWaalsContact O-N 3.15Å; I84-V180 HydrophobicContact CD1-CB 4.06Å; I84-V180 HydrophobicContact CD1-CG1 3.98Å; I84-V180 HydrophobicContact CG1-CB 4.21Å; I84-V180 HydrophobicContact CG1-CG1 3.66Å; I84-W182 HydrophobicContact CB-CZ2 4.35Å; I84-W182 HydrophobicContact CG1-CH2 4.12Å; I84-W182 HydrophobicContact CG1-CZ2 3.8Å; I84-T375 WeakPolarHBondContact CA-OG1 3.29Å; I84-T375 HydrophobicContact CG2-CG2 3.77Å
85	H	97.1	Very high	93	Very high	31 Å²	31	35.7 Å²	35.7	14%	0.144	20%	0.197	C	C	.	.			trans	-78.4	135.8	-172.4	-68.4	-90.6	0	0	0	113.4	C100 S371 P372 T375	H85-C100 PolarHBondContact O-SG 3.49Å; H85-S371 PolarHBondContact CE1-OG 2.83Å; H85-S371 PolarHBondContact NE2-OG 2.67Å; H85-S371 VanDerWaalsContact NE2-OG 3.09Å; H85-P372 HydrophobicContact CB-CB 3.97Å; H85-T375 HydrophobicContact CB-CG2 4.45Å; H85-T375 PolarHBondContact N-OG1 2.86Å; H85-T375 WeakPolarHBondContact O-CG2 3.25Å
86	A	96	Very high	93.3	Very high	3 Å²	3	34.5 Å²	34.5	3%	0.025	19%	0.192	C	C	.	.			trans	-87.3	0.2	179	0	0	0	0	0	115.5	L104 T148 S174	A86-L104 HydrophobicContact CB-CD2 4.24Å; A86-T148 HydrophobicContact CB-CG2 3.81Å; A86-T148 VanDerWaalsContact O-CG2 3.25Å; A86-T148 WeakPolarHBondContact O-CG2 3.48Å; A86-T148 PolarHBondContact O-OG1 2.92Å; A86-S174 WeakPolarHBondContact CB-OG 3.41Å
87	G	95	Very high	93.7	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.01	18%	0.175	C	C	.	.	S	Bend	trans	90.8	13.2	175	0	0	0	0	0	117.1	N146	G87-N146 PolarHBondContact O-ND2 3.33Å
88	I	93.7	Very high	93.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	20%	0.197	C	C	.	.			trans	-69.9	-37.5	-171.4	-62.7	173.6	0	0	0	113.8	I125 L139 R142 T148 I151 S174	I88-I125 HydrophobicContact CB-CD1 4.47Å; I88-I125 HydrophobicContact CD1-CD1 3.88Å; I88-I125 HydrophobicContact CG2-CD1 3.94Å; I88-L139 HydrophobicContact CG2-CD1 3.7Å; I88-L139 HydrophobicContact CG2-CD2 4.25Å; I88-L139 HydrophobicContact CG2-CG 3.62Å; I88-L139 WeakPolarHBondContact O-CD1 3.34Å; I88-R142 WeakPolarHBondContact O-CD 3.47Å; I88-R142 WeakPolarHBondContact O-CG 3.33Å; I88-T148 HydrophobicContact CD1-CG2 4.21Å; I88-T148 HydrophobicContact CG1-CG2 3.67Å; I88-I151 HydrophobicContact CD1-CG2 3.88Å; I88-I151 HydrophobicContact CG1-CG2 4.35Å; I88-S174 VanDerWaalsContact CD1-CB 3.46Å; I88-S174 WeakPolarHBondContact CD1-OG 3.4Å
89	Y	91.7	Very high	94.4	Very high	85 Å²	85	35.4 Å²	35.4	33%	0.333	19%	0.189	S	C	.	.	S	Bend	trans	-83.2	-17.7	-165.1	-63.8	-80.3	0	0	0	115	K123 I125 L139 R142	Y89-K123 WeakPolarHBondContact OH-CE 3.28Å; Y89-K123 PolarHBondContact OH-NZ 3.07Å; Y89-I125 HydrophobicContact CE1-CD1 4.27Å; Y89-I125 HydrophobicContact CE2-CD1 4.29Å; Y89-I125 VanDerWaalsContact OH-CD1 3.32Å; Y89-I125 WeakPolarHBondContact OH-CD1 3.3Å; Y89-I125 WeakPolarHBondContact OH-CG1 3.16Å; Y89-L139 HydrophobicContact CD1-CD1 3.75Å; Y89-L139 HydrophobicContact CD1-CD2 3.99Å; Y89-L139 HydrophobicContact CE1-CD1 4.27Å; Y89-L139 HydrophobicContact CE1-CD2 3.64Å; Y89-L139 HydrophobicContact CG-CD1 4.38Å; Y89-R142 WeakPolarHBondContact O-CD 3.33Å; Y89-R142 PolarHBondContact O-NH1 2.8Å
90	Y	93.4	Very high	94.9	Very high	30 Å²	30	30.9 Å²	30.9	12%	0.118	17%	0.172	C	C	.	.	S	Bend	trans	-86.2	146.5	-163.9	-49.9	-61.4	0	0	0	112.3	K96 C100 R142 N146 P372	Y90-K96 HydrophobicContact CD1-CB 4.11Å; Y90-K96 HydrophobicContact CD1-CD 4.35Å; Y90-K96 HydrophobicContact CG-CB 4.08Å; Y90-C100 HydrophobicContact CD2-CB 4.09Å; Y90-C100 HydrophobicContact CE2-CB 3.93Å; Y90-R142 VanDerWaalsContact O-CD 3.22Å; Y90-R142 WeakPolarHBondContact O-CD 3.36Å; Y90-R142 VanDerWaalsContact O-CG 3.3Å; Y90-R142 WeakPolarHBondContact O-CG 3.5Å; Y90-N146 PolarHBondContact O-ND2 3.46Å; Y90-P372 HydrophobicContact CD2-CG 4.35Å; Y90-P372 HydrophobicContact CE1-CG 4.02Å; Y90-P372 HydrophobicContact CE2-CB 4.08Å; Y90-P372 HydrophobicContact CE2-CG 3.56Å; Y90-P372 VanDerWaalsContact CZ-CD 3.44Å; Y90-P372 VanDerWaalsContact OH-CB 3.24Å; Y90-P372 WeakPolarHBondContact OH-CB 3.37Å; Y90-P372 WeakPolarHBondContact OH-CD 3.4Å; Y90-P372 WeakPolarHBondContact OH-CG 3.39Å
91	T	93.5	Very high	95.4	Very high	76 Å²	76	30.2 Å²	30.2	47%	0.466	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-55.6	127.4	178	-56.2	0	0	0	0	110.3	S94 A97	T91-S94 VanDerWaalsContact O-CB 3.23Å; T91-S94 WeakPolarHBondContact O-CB 3.48Å; T91-S94 PolarHBondContact O-N 3.28Å; T91-S94 PolarHBondContact O-OG 3.13Å; T91-A97 WeakPolarHBondContact O-CB 3.49Å
92	P	96.6	Very high	95.9	Very high	47 Å²	47	32.1 Å²	32.1	31%	0.305	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	140.8	178.4	-25.6	34.4	0	0	0	112.8	S94 R142 Q145 N146	P92-S94 PolarHBondContact O-N 2.96Å; P92-R142 HydrophobicContact CG-CG 4.06Å; P92-Q145 HydrophobicContact CB-CB 4.1Å; P92-Q145 HydrophobicContact CG-CB 4.01Å; P92-N146 WeakPolarHBondContact CA-OD1 3.32Å
93	G	95.1	Very high	96.1	Very high	49 Å²	49	32 Å²	32	51%	0.505	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-17.3	-177.8	0	0	0	0	0	115.7	K98	G93-K98 VanDerWaalsContact O-CE 3.24Å; G93-K98 WeakPolarHBondContact O-CE 3.35Å; G93-K98 PolarHBondContact O-NZ 3.24Å
94	S	96.1	Very high	96.2	Very high	20 Å²	20	31.8 Å²	31.8	14%	0.14	17%	0.172	C	C	.	.	S	Bend	trans	-62.5	155.3	176	66.5	0	0	0	0	112.6	T91 P92 K96 A97 K98 D349	T91-S94 VanDerWaalsContact O-CB 3.23Å; T91-S94 WeakPolarHBondContact O-CB 3.48Å; T91-S94 PolarHBondContact O-N 3.28Å; T91-S94 PolarHBondContact O-OG 3.13Å; P92-S94 PolarHBondContact O-N 2.96Å; S94-K96 VanDerWaalsContact C-N 3.27Å; S94-K96 PolarHBondContact O-N 3.07Å; S94-A97 PolarHBondContact O-N 2.95Å; S94-A97 WeakPolarHBondContact OG-CB 3.23Å; S94-A97 PolarHBondContact OG-N 3.1Å; S94-K98 WeakPolarHBondContact O-CG 3.48Å; S94-K98 PolarHBondContact O-N 3.44Å; S94-D349 WeakPolarHBondContact CA-OD2 3.47Å; S94-D349 WeakPolarHBondContact CB-OD2 3.33Å
95	L	95.8	Very high	96.2	Very high	57 Å²	57	38.2 Å²	38.2	30%	0.298	20%	0.197	S	C	.	.	H	α-helix	trans	-60.4	-39.7	170.2	-63.4	174.5	0	0	0	110.2	A97 K98 L99 D349 F350 F352 L383	L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 3.12Å; L95-K98 PolarHBondContact O-N 3.48Å; L95-L99 HydrophobicContact CB-CD1 4.33Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 WeakPolarHBondContact O-CG 3.2Å; L95-L99 PolarHBondContact O-N 2.86Å; L95-D349 WeakPolarHBondContact CB-OD1 3.41Å; L95-D349 PolarHBondContact N-OD1 2.83Å; L95-D349 PolarHBondContact N-OD2 2.99Å; L95-F350 HydrophobicContact CB-CD2 4.16Å; L95-F352 HydrophobicContact CD1-CD2 4.5Å; L95-F352 HydrophobicContact CD1-CE2 4.34Å; L95-L383 HydrophobicContact CD1-CD2 4.36Å; L95-L383 HydrophobicContact CD2-CD2 4.39Å
96	K	95	Very high	96.3	Very high	12 Å²	12	37.9 Å²	37.9	5%	0.052	20%	0.196	C	C	.	.	H	α-helix	trans	-55.7	-45.9	174.6	-82.2	-169.6	-166.9	167.4	0	112.7	Y90 S94 C100 D348 D349 F350	Y90-K96 HydrophobicContact CD1-CB 4.11Å; Y90-K96 HydrophobicContact CD1-CD 4.35Å; Y90-K96 HydrophobicContact CG-CB 4.08Å; S94-K96 VanDerWaalsContact C-N 3.27Å; S94-K96 PolarHBondContact O-N 3.07Å; K96-C100 WeakPolarHBondContact O-CB 3.43Å; K96-C100 PolarHBondContact O-N 2.99Å; K96-D348 WeakPolarHBondContact CD-O 3.48Å; K96-D348 WeakPolarHBondContact CE-O 3.24Å; K96-D348 PolarHBondContact NZ-O 2.81Å; K96-D349 WeakPolarHBondContact CG-OD1 3.45Å; K96-D349 PolarHBondContact N-OD1 2.96Å; K96-F350 HydrophobicContact CB-CD2 4.5Å; K96-F350 HydrophobicContact CB-CE2 4.22Å; K96-F350 HydrophobicContact CD-CE1 4.4Å; K96-F350 HydrophobicContact CG-CD1 4.04Å; K96-F350 HydrophobicContact CG-CD2 3.77Å; K96-F350 HydrophobicContact CG-CE1 3.87Å; K96-F350 HydrophobicContact CG-CE2 3.62Å; K96-F350 HydrophobicContact CG-CG 4Å; K96-F350 HydrophobicContact CG-CZ 3.66Å
97	A	96	Very high	96.4	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.017	20%	0.195	C	C	.	.	H	α-helix	trans	-63	-55.6	176.7	0	0	0	0	0	111.3	T91 S94 L95 L99 C100 V101 N146	T91-A97 WeakPolarHBondContact O-CB 3.49Å; S94-A97 PolarHBondContact O-N 2.95Å; S94-A97 WeakPolarHBondContact OG-CB 3.23Å; S94-A97 PolarHBondContact OG-N 3.1Å; L95-A97 VanDerWaalsContact C-N 3.34Å; L95-A97 PolarHBondContact O-N 3.12Å; A97-L99 PolarHBondContact O-N 2.92Å; A97-C100 PolarHBondContact O-N 3.05Å; A97-V101 PolarHBondContact O-N 3.18Å; A97-V101 VanDerWaalsContact O-N 3.12Å; A97-N146 HydrophobicContact CB-CB 4.48Å
98	K	97.5	Very high	96.6	Very high	124 Å²	124	38.3 Å²	38.3	54%	0.539	20%	0.197	S	C	.	.	H	α-helix	trans	-60.7	-49.6	-175.8	-70.5	168.4	174.2	161	0	112.3	G93 S94 L95 H102	G93-K98 VanDerWaalsContact O-CE 3.24Å; G93-K98 WeakPolarHBondContact O-CE 3.35Å; G93-K98 PolarHBondContact O-NZ 3.24Å; S94-K98 WeakPolarHBondContact O-CG 3.48Å; S94-K98 PolarHBondContact O-N 3.44Å; L95-K98 PolarHBondContact O-N 3.48Å; K98-H102 WeakPolarHBondContact O-CB 3.2Å; K98-H102 PolarHBondContact O-N 3.4Å
99	L	98.1	Very high	96.8	Very high	18 Å²	18	42.1 Å²	42.1	9%	0.094	22%	0.217	C	C	.	.	H	α-helix	trans	-72.2	-28.5	-178	-60.4	-174.8	0	0	0	112.1	L95 A97 G103 F350 S379 I380 L383	L95-L99 HydrophobicContact CB-CD1 4.33Å; L95-L99 WeakPolarHBondContact O-CB 3.33Å; L95-L99 WeakPolarHBondContact O-CG 3.2Å; L95-L99 PolarHBondContact O-N 2.86Å; A97-L99 PolarHBondContact O-N 2.92Å; L99-G103 VanDerWaalsContact O-CA 3.27Å; L99-G103 WeakPolarHBondContact O-CA 3.27Å; L99-G103 PolarHBondContact O-N 3.1Å; L99-F350 HydrophobicContact CB-CE2 4.15Å; L99-F350 HydrophobicContact CD1-CD2 3.79Å; L99-F350 HydrophobicContact CD1-CE2 4.07Å; L99-S379 PolarHBondContact O-OG 2.8Å; L99-I380 HydrophobicContact CD1-CG1 3.71Å; L99-L383 HydrophobicContact CD1-CD2 3.86Å
100	C	98.1	Very high	97.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-46.8	174.2	-172.4	0	0	0	0	111.8	H85 Y90 K96 A97 G103 L104 P372 S376	H85-C100 PolarHBondContact O-SG 3.49Å; Y90-C100 HydrophobicContact CD2-CB 4.09Å; Y90-C100 HydrophobicContact CE2-CB 3.93Å; K96-C100 WeakPolarHBondContact O-CB 3.43Å; K96-C100 PolarHBondContact O-N 2.99Å; A97-C100 PolarHBondContact O-N 3.05Å; C100-G103 PolarHBondContact O-N 3.41Å; C100-L104 WeakPolarHBondContact O-CB 3.07Å; C100-L104 PolarHBondContact O-N 2.91Å; C100-P372 HydrophobicContact CB-CB 4.26Å; C100-P372 HydrophobicContact CB-CG 3.69Å; C100-S376 VanDerWaalsContact CA-OG 3.3Å; C100-S376 WeakPolarHBondContact CA-OG 3.48Å; C100-S376 PolarHBondContact N-OG 2.91Å
101	V	98.1	Very high	97.4	Very high	32 Å²	32	37 Å²	37	19%	0.194	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-42.5	179.1	173.5	0	0	0	0	110.9	A97 L104 N146 G147	A97-V101 PolarHBondContact O-N 3.18Å; A97-V101 VanDerWaalsContact O-N 3.12Å; V101-L104 WeakPolarHBondContact O-CB 3.27Å; V101-N146 HydrophobicContact CG2-CB 4.43Å; V101-N146 WeakPolarHBondContact CG2-O 3.44Å; V101-G147 WeakPolarHBondContact CG1-O 3.18Å
102	H	98.2	Very high	97.6	Very high	69 Å²	69	37.6 Å²	37.6	32%	0.319	20%	0.197	S	C	.	.	H	α-helix	trans	-65.6	-43.2	173.5	-176.5	-151.9	0	0	0	112.1	K98 L104 R105 L106	K98-H102 WeakPolarHBondContact O-CB 3.2Å; K98-H102 PolarHBondContact O-N 3.4Å; H102-L104 VanDerWaalsContact C-N 3.33Å; H102-L104 PolarHBondContact O-N 3.03Å; H102-R105 PolarHBondContact NE2-NH2 2.97Å; H102-R105 PolarHBondContact O-N 3.38Å; H102-L106 WeakPolarHBondContact O-CG 3.46Å; H102-L106 PolarHBondContact O-N 3.22Å
103	G	98.4	Very high	97.7	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-36.1	-179.2	0	0	0	0	0	113.1	L99 C100 R105 L106 V107 T375	L99-G103 VanDerWaalsContact O-CA 3.27Å; L99-G103 WeakPolarHBondContact O-CA 3.27Å; L99-G103 PolarHBondContact O-N 3.1Å; C100-G103 PolarHBondContact O-N 3.41Å; G103-R105 VanDerWaalsContact C-N 3.32Å; G103-R105 PolarHBondContact O-N 2.74Å; G103-L106 PolarHBondContact O-N 2.96Å; G103-V107 WeakPolarHBondContact O-CB 3.26Å; G103-V107 WeakPolarHBondContact O-CG2 3.27Å; G103-V107 PolarHBondContact O-N 3.22Å; G103-T375 CarbonylContact C-O 3.56Å; G103-T375 VanDerWaalsContact C-O 3.28Å; G103-T375 WeakPolarHBondContact CA-O 3.48Å
104	L	98.5	Very high	97.9	Very high	8 Å²	8	42.9 Å²	42.9	4%	0.042	20%	0.201	C	C	.	.	H	α-helix	trans	-50.7	-51	172.5	179.7	69.4	0	0	0	111.7	I84 A86 C100 V101 H102 Y108 P149 H176 T375	I84-L104 HydrophobicContact CG2-CD1 3.56Å; A86-L104 HydrophobicContact CB-CD2 4.24Å; C100-L104 WeakPolarHBondContact O-CB 3.07Å; C100-L104 PolarHBondContact O-N 2.91Å; V101-L104 WeakPolarHBondContact O-CB 3.27Å; H102-L104 VanDerWaalsContact C-N 3.33Å; H102-L104 PolarHBondContact O-N 3.03Å; L104-Y108 HydrophobicContact CD1-CD2 4.14Å; L104-Y108 HydrophobicContact CD1-CE2 3.43Å; L104-Y108 VanDerWaalsContact CD1-CE2 3.43Å; L104-Y108 HydrophobicContact CG-CD2 4.24Å; L104-Y108 HydrophobicContact CG-CE2 3.92Å; L104-Y108 VanDerWaalsContact O-CD2 3.23Å; L104-Y108 WeakPolarHBondContact O-CD2 3.43Å; L104-Y108 PolarHBondContact O-N 3.37Å; L104-P149 HydrophobicContact CD2-CG 3.95Å; L104-H176 HydrophobicContact CD2-CB 4.06Å; L104-T375 HydrophobicContact CB-CG2 4.48Å
105	R	98.1	Very high	98	Very high	135 Å²	135	52.7 Å²	52.7	51%	0.509	24%	0.236	S	C	.	.	H	α-helix	trans	-64	-51	178.8	-176.1	177.7	65.6	85	-3.7	111.2	H102 G103 V107 Y108 D109	H102-R105 PolarHBondContact NE2-NH2 2.97Å; H102-R105 PolarHBondContact O-N 3.38Å; G103-R105 VanDerWaalsContact C-N 3.32Å; G103-R105 PolarHBondContact O-N 2.74Å; R105-V107 VanDerWaalsContact C-N 3.27Å; R105-V107 PolarHBondContact O-N 3.19Å; R105-Y108 PolarHBondContact O-N 2.81Å; R105-D109 IonicContact NH1-OD2 2.89Å; R105-D109 VanDerWaalsContact O-CG 3.24Å; R105-D109 PolarHBondContact O-N 2.99Å
106	L	98.6	Very high	98.1	Very high	24 Å²	24	51 Å²	51	13%	0.126	23%	0.227	C	C	.	.	H	α-helix	trans	-59	-38.8	-179.1	-65.4	179.7	0	0	0	112.6	H102 G103 Y110 L378 K382	H102-L106 WeakPolarHBondContact O-CG 3.46Å; H102-L106 PolarHBondContact O-N 3.22Å; G103-L106 PolarHBondContact O-N 2.96Å; L106-Y110 VanDerWaalsContact O-CB 3.23Å; L106-Y110 WeakPolarHBondContact O-CB 3.18Å; L106-Y110 PolarHBondContact O-N 2.76Å; L106-L378 HydrophobicContact CB-CB 3.98Å; L106-L378 HydrophobicContact CB-CD1 3.94Å; L106-L378 HydrophobicContact CD1-CB 3.97Å; L106-L378 WeakPolarHBondContact O-CD1 3.16Å; L106-K382 HydrophobicContact CD1-CD 4Å
107	V	98.6	Very high	98.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	25%	0.25	C	S	.	.	H	α-helix	trans	-66.9	-47.2	178.6	164.5	0	0	0	0	110.4	I84 G103 R105 D109 Y110 L111 W182 T375 L378	I84-V107 HydrophobicContact CD1-CG1 4.32Å; I84-V107 HydrophobicContact CG2-CG1 4.33Å; G103-V107 WeakPolarHBondContact O-CB 3.26Å; G103-V107 WeakPolarHBondContact O-CG2 3.27Å; G103-V107 PolarHBondContact O-N 3.22Å; R105-V107 VanDerWaalsContact C-N 3.27Å; R105-V107 PolarHBondContact O-N 3.19Å; V107-D109 PolarHBondContact O-N 3.34Å; V107-Y110 PolarHBondContact O-N 2.81Å; V107-L111 HydrophobicContact CG1-CD1 3.5Å; V107-L111 HydrophobicContact CG1-CG 3.98Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 WeakPolarHBondContact O-CG 3.45Å; V107-L111 PolarHBondContact O-N 3.41Å; V107-W182 HydrophobicContact CG1-CH2 3.79Å; V107-W182 HydrophobicContact CG1-CZ3 4.04Å; V107-W182 HydrophobicContact CG2-CH2 4.09Å; V107-W182 HydrophobicContact CG2-CZ3 4.22Å; V107-T375 WeakPolarHBondContact CG2-O 3.27Å; V107-L378 HydrophobicContact CG2-CD1 4.3Å
108	Y	98.7	Very high	98.3	Very high	11 Å²	11	57.1 Å²	57.1	4%	0.043	26%	0.26	C	S	.	.	H	α-helix	trans	-60.7	-46.9	177.1	-74	-52.8	0	0	0	111.8	I84 L104 R105 Y110 L111 D112 Y118 K120 H176 G178	I84-Y108 HydrophobicContact CD1-CD1 4.4Å; I84-Y108 HydrophobicContact CD1-CE1 3.64Å; I84-Y108 HydrophobicContact CG2-CE2 4.44Å; L104-Y108 HydrophobicContact CD1-CD2 4.14Å; L104-Y108 HydrophobicContact CD1-CE2 3.43Å; L104-Y108 VanDerWaalsContact CD1-CE2 3.43Å; L104-Y108 HydrophobicContact CG-CD2 4.24Å; L104-Y108 HydrophobicContact CG-CE2 3.92Å; L104-Y108 VanDerWaalsContact O-CD2 3.23Å; L104-Y108 WeakPolarHBondContact O-CD2 3.43Å; L104-Y108 PolarHBondContact O-N 3.37Å; R105-Y108 PolarHBondContact O-N 2.81Å; Y108-Y110 PolarHBondContact O-N 2.86Å; Y108-L111 HydrophobicContact CD1-CD1 4.43Å; Y108-L111 PolarHBondContact O-N 3.42Å; Y108-D112 WeakPolarHBondContact O-CB 3.36Å; Y108-D112 PolarHBondContact O-N 3.36Å; Y108-Y118 AromaticContact CD1-CD2 3.86Å; Y108-Y118 HydrophobicContact CD1-CD2 3.86Å; Y108-Y118 AromaticContact CD1-CE2 3.51Å; Y108-Y118 HydrophobicContact CD1-CE2 3.51Å; Y108-Y118 HydrophobicContact CD1-CG 4.5Å; Y108-Y118 AromaticContact CD1-CZ 3.86Å; Y108-Y118 AromaticContact CE1-CD2 3.6Å; Y108-Y118 HydrophobicContact CE1-CD2 3.6Å; Y108-Y118 AromaticContact CE1-CE2 3.59Å; Y108-Y118 HydrophobicContact CE1-CE2 3.59Å; Y108-Y118 HydrophobicContact CE1-CG 4.44Å; Y108-K120 VanDerWaalsContact CD1-CE 3.41Å; Y108-K120 HydrophobicContact CE1-CD 4.1Å; Y108-K120 HydrophobicContact CE1-CG 3.68Å; Y108-K120 HydrophobicContact CE2-CD 4.36Å; Y108-K120 VanDerWaalsContact CZ-CE 3.48Å; Y108-H176 PolarHBondContact OH-O 3.1Å; Y108-G178 WeakPolarHBondContact OH-CA 3.48Å; Y108-G178 PolarHBondContact OH-N 3.18Å
109	D	98.6	Very high	98.3	Very high	83 Å²	83	56.9 Å²	56.9	44%	0.444	26%	0.259	S	S	.	.	H	α-helix	trans	-55.7	-41.7	176.3	-64	-14.4	0	0	0	111.2	R105 V107 K113	R105-D109 IonicContact NH1-OD2 2.89Å; R105-D109 VanDerWaalsContact O-CG 3.24Å; R105-D109 PolarHBondContact O-N 2.99Å; V107-D109 PolarHBondContact O-N 3.34Å; D109-K113 WeakPolarHBondContact O-CB 3.45Å; D109-K113 PolarHBondContact O-N 2.92Å
110	Y	98.7	Very high	98.3	Very high	9 Å²	9	61 Å²	61	4%	0.035	28%	0.276	C	S	.	.	H	α-helix	trans	-69	-45.2	178.4	-179.2	-102	0	0	0	113	L106 V107 Y108 D112 K113 K114 L116 V185 Q188 L189 D192 L378	L106-Y110 VanDerWaalsContact O-CB 3.23Å; L106-Y110 WeakPolarHBondContact O-CB 3.18Å; L106-Y110 PolarHBondContact O-N 2.76Å; V107-Y110 PolarHBondContact O-N 2.81Å; Y108-Y110 PolarHBondContact O-N 2.86Å; Y110-D112 VanDerWaalsContact C-N 3.35Å; Y110-K113 PolarHBondContact O-N 3.15Å; Y110-K114 HydrophobicContact CD2-CG 4.19Å; Y110-K114 HydrophobicContact CE1-CG 4.19Å; Y110-K114 HydrophobicContact CE2-CD 4.49Å; Y110-K114 HydrophobicContact CE2-CG 3.73Å; Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 PolarHBondContact O-N 3.2Å; Y110-L116 HydrophobicContact CE1-CD1 4.2Å; Y110-V185 HydrophobicContact CE1-CG1 4.22Å; Y110-Q188 WeakPolarHBondContact OH-CG 2.99Å; Y110-L189 HydrophobicContact CE1-CD2 3.94Å; Y110-L189 HydrophobicContact CE1-CG 4.22Å; Y110-L189 HydrophobicContact CE2-CD2 4.03Å; Y110-L189 WeakPolarHBondContact OH-CD2 3.47Å; Y110-L189 PolarHBondContact OH-N 3.15Å; Y110-D192 VanDerWaalsContact CE2-OD2 3.22Å; Y110-D192 WeakPolarHBondContact CE2-OD2 3.43Å; Y110-D192 PolarHBondContact OH-OD2 2.85Å; Y110-L378 HydrophobicContact CG-CD1 4.08Å
111	L	98.8	Very high	98.2	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-62.2	-43.5	179.1	-67.9	169.8	0	0	0	110.8	I84 V107 Y108 K114 R115 L116 Y118 V180 V185	I84-L111 HydrophobicContact CD1-CD1 3.9Å; V107-L111 HydrophobicContact CG1-CD1 3.5Å; V107-L111 HydrophobicContact CG1-CG 3.98Å; V107-L111 WeakPolarHBondContact O-CB 3.48Å; V107-L111 WeakPolarHBondContact O-CG 3.45Å; V107-L111 PolarHBondContact O-N 3.41Å; Y108-L111 HydrophobicContact CD1-CD1 4.43Å; Y108-L111 PolarHBondContact O-N 3.42Å; L111-K114 PolarHBondContact O-N 3.41Å; L111-R115 CarbonylContact O-C 3.56Å; L111-R115 WeakPolarHBondContact O-CA 3.32Å; L111-R115 PolarHBondContact O-N 2.93Å; L111-L116 HydrophobicContact CD2-CB 3.65Å; L111-L116 HydrophobicContact CD2-CD1 3.95Å; L111-L116 HydrophobicContact CD2-CG 4.42Å; L111-L116 PolarHBondContact O-N 3.19Å; L111-Y118 HydrophobicContact CB-CD1 3.57Å; L111-Y118 HydrophobicContact CB-CE1 3.74Å; L111-Y118 HydrophobicContact CD1-CD1 3.72Å; L111-Y118 HydrophobicContact CD1-CE1 4.4Å; L111-Y118 HydrophobicContact CD1-CG 3.85Å; L111-Y118 HydrophobicContact CG-CD1 4.2Å; L111-V180 HydrophobicContact CD1-CG2 4.29Å; L111-V180 HydrophobicContact CD2-CG2 3.89Å; L111-V185 HydrophobicContact CD2-CG2 3.67Å
112	D	98.6	Very high	98.1	Very high	87 Å²	87	62.8 Å²	62.8	47%	0.465	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-49.4	175	-69.8	-24.7	0	0	0	111	Y108 Y110 K114 R115 Y118	Y108-D112 WeakPolarHBondContact O-CB 3.36Å; Y108-D112 PolarHBondContact O-N 3.36Å; Y110-D112 VanDerWaalsContact C-N 3.35Å; D112-K114 VanDerWaalsContact C-N 3.31Å; D112-K114 PolarHBondContact O-N 2.84Å; D112-R115 PolarHBondContact O-N 3.19Å; D112-R115 VanDerWaalsContact O-N 3.09Å; D112-Y118 WeakPolarHBondContact OD1-CE1 3.48Å; D112-Y118 VanDerWaalsContact OD1-CZ 3.28Å; D112-Y118 PolarHBondContact OD1-OH 3.18Å; D112-Y118 PolarHBondContact OD2-OH 2.96Å
113	K	98.4	Very high	98.1	Very high	150 Å²	150	62.1 Å²	62.1	65%	0.652	29%	0.287	S	S	*	.	H	α-helix	trans	-57.3	-42.3	178.7	-179.9	179.4	179.1	-179.2	0	112.5	D109 Y110	D109-K113 WeakPolarHBondContact O-CB 3.45Å; D109-K113 PolarHBondContact O-N 2.92Å; Y110-K113 PolarHBondContact O-N 3.15Å
114	K	98.3	Very high	98	Very high	57 Å²	57	63.8 Å²	63.8	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-90.2	0.2	-179.3	-66.6	-70.7	177.6	167.2	0	113.3	Y110 L111 D112 L116 Q188 D192 E195	Y110-K114 HydrophobicContact CD2-CG 4.19Å; Y110-K114 HydrophobicContact CE1-CG 4.19Å; Y110-K114 HydrophobicContact CE2-CD 4.49Å; Y110-K114 HydrophobicContact CE2-CG 3.73Å; Y110-K114 WeakPolarHBondContact O-CB 3.32Å; Y110-K114 PolarHBondContact O-N 3.2Å; L111-K114 PolarHBondContact O-N 3.41Å; D112-K114 VanDerWaalsContact C-N 3.31Å; D112-K114 PolarHBondContact O-N 2.84Å; K114-L116 HydrophobicContact CB-CD1 4.27Å; K114-L116 HydrophobicContact CB-CG 3.91Å; K114-L116 PolarHBondContact O-N 3.44Å; K114-Q188 HydrophobicContact CB-CG 4.26Å; K114-Q188 HydrophobicContact CD-CG 4.19Å; K114-Q188 HydrophobicContact CG-CG 4.18Å; K114-D192 WeakPolarHBondContact CE-OD1 3.42Å; K114-D192 VanDerWaalsContact CE-OD2 3.32Å; K114-D192 WeakPolarHBondContact CE-OD2 3.34Å; K114-D192 VanDerWaalsContact NZ-CG 3.32Å; K114-D192 IonicContact NZ-OD1 3.99Å; K114-D192 PolarHBondContact NZ-OD1 3.47Å; K114-D192 IonicContact NZ-OD2 2.67Å; K114-E195 IonicContact NZ-OE2 3.93Å
115	R	98.3	Very high	97.9	Very high	227 Å²	227	64.4 Å²	64.4	86%	0.857	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	53	39.7	-177.2	-54.4	179.9	-176.2	179	0.2	112.5	L111 D112	L111-R115 CarbonylContact O-C 3.56Å; L111-R115 WeakPolarHBondContact O-CA 3.32Å; L111-R115 PolarHBondContact O-N 2.93Å; D112-R115 PolarHBondContact O-N 3.19Å; D112-R115 VanDerWaalsContact O-N 3.09Å
116	L	98.3	Very high	97.9	Very high	21 Å²	21	58.9 Å²	58.9	11%	0.11	28%	0.281	C	S	.	.			trans	-84.8	139.4	176.7	-64.7	-178	0	0	0	110.2	Y110 L111 K114 Y118 V184 V185 Q188	Y110-L116 HydrophobicContact CE1-CD1 4.2Å; L111-L116 HydrophobicContact CD2-CB 3.65Å; L111-L116 HydrophobicContact CD2-CD1 3.95Å; L111-L116 HydrophobicContact CD2-CG 4.42Å; L111-L116 PolarHBondContact O-N 3.19Å; K114-L116 HydrophobicContact CB-CD1 4.27Å; K114-L116 HydrophobicContact CB-CG 3.91Å; K114-L116 PolarHBondContact O-N 3.44Å; L116-Y118 WeakPolarHBondContact O-CD1 3.22Å; L116-V184 HydrophobicContact CD2-CG1 3.99Å; L116-V185 HydrophobicContact CD1-CG2 4.2Å; L116-Q188 HydrophobicContact CD1-CB 3.91Å; L116-Q188 HydrophobicContact CD1-CG 4.02Å; L116-Q188 HydrophobicContact CD2-CB 4.42Å; L116-Q188 HydrophobicContact CD2-CG 4.39Å
117	P	97.5	Very high	97.9	Very high	85 Å²	85	57.9 Å²	57.9	55%	0.552	28%	0.276	S	S	*	.			trans	-73.9	132.9	-175.7	30.5	-35.4	0	0	0	111.7	M250	P117-M250 HydrophobicContact CB-CE 3.92Å
118	Y	98.4	Very high	97.8	Very high	57 Å²	57	59 Å²	59	22%	0.224	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	168.1	170.8	67.5	-89	0	0	0	110.3	Y108 L111 D112 L116 K120 I179	Y108-Y118 AromaticContact CD1-CD2 3.86Å; Y108-Y118 HydrophobicContact CD1-CD2 3.86Å; Y108-Y118 AromaticContact CD1-CE2 3.51Å; Y108-Y118 HydrophobicContact CD1-CE2 3.51Å; Y108-Y118 HydrophobicContact CD1-CG 4.5Å; Y108-Y118 AromaticContact CD1-CZ 3.86Å; Y108-Y118 AromaticContact CE1-CD2 3.6Å; Y108-Y118 HydrophobicContact CE1-CD2 3.6Å; Y108-Y118 AromaticContact CE1-CE2 3.59Å; Y108-Y118 HydrophobicContact CE1-CE2 3.59Å; Y108-Y118 HydrophobicContact CE1-CG 4.44Å; L111-Y118 HydrophobicContact CB-CD1 3.57Å; L111-Y118 HydrophobicContact CB-CE1 3.74Å; L111-Y118 HydrophobicContact CD1-CD1 3.72Å; L111-Y118 HydrophobicContact CD1-CE1 4.4Å; L111-Y118 HydrophobicContact CD1-CG 3.85Å; L111-Y118 HydrophobicContact CG-CD1 4.2Å; D112-Y118 WeakPolarHBondContact OD1-CE1 3.48Å; D112-Y118 VanDerWaalsContact OD1-CZ 3.28Å; D112-Y118 PolarHBondContact OD1-OH 3.18Å; D112-Y118 PolarHBondContact OD2-OH 2.96Å; L116-Y118 WeakPolarHBondContact O-CD1 3.22Å; Y118-K120 HydrophobicContact CD2-CG 4.27Å; Y118-K120 HydrophobicContact CE2-CD 4.42Å; Y118-K120 HydrophobicContact CE2-CG 3.93Å; Y118-I179 WeakPolarHBondContact CA-O 3.32Å; Y118-I179 WeakPolarHBondContact CB-O 3.11Å
119	K	98	Very high	97.6	Very high	120 Å²	120	62.5 Å²	62.5	52%	0.522	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.1	171.8	-60.6	-179.4	-178.5	177.3	0	110.5	C121 G178 I179 M250	K119-C121 VanDerWaalsContact C-N 3.27Å; K119-C121 PolarHBondContact O-N 2.97Å; K119-C121 VanDerWaalsContact O-N 3.14Å; K119-G178 CarbonylContact O-C 3.31Å; K119-G178 WeakPolarHBondContact O-CA 3.15Å; K119-I179 HydrophobicContact CB-CD1 4.31Å; K119-I179 HydrophobicContact CB-CG1 3.83Å; K119-I179 HydrophobicContact CD-CD1 4.33Å; K119-I179 PolarHBondContact N-O 2.77Å; K119-I179 PolarHBondContact O-N 2.77Å; K119-M250 HydrophobicContact CD-SD 4.49Å; K119-M250 HydrophobicContact CG-CE 4.41Å; K119-M250 HydrophobicContact CG-SD 4.14Å
120	K	96.5	Very high	97.5	Very high	103 Å²	103	65.5 Å²	65.5	45%	0.448	31%	0.31	S	S	.	.			trans	-83.9	71.3	167.8	-66.6	-174	-176.5	177	0	109.5	Y108 Y118 G122	Y108-K120 VanDerWaalsContact CD1-CE 3.41Å; Y108-K120 HydrophobicContact CE1-CD 4.1Å; Y108-K120 HydrophobicContact CE1-CG 3.68Å; Y108-K120 HydrophobicContact CE2-CD 4.36Å; Y108-K120 VanDerWaalsContact CZ-CE 3.48Å; Y118-K120 HydrophobicContact CD2-CG 4.27Å; Y118-K120 HydrophobicContact CE2-CD 4.42Å; Y118-K120 HydrophobicContact CE2-CG 3.93Å; K120-G122 PolarHBondContact O-N 3.42Å
121	C	95.9	Very high	97.4	Very high	62 Å²	62	69.3 Å²	69.3	42%	0.419	34%	0.338	S	S	.	.			trans	-74	-9.9	-178.8	60.2	0	0	0	0	113.6	K119 W173	K119-C121 VanDerWaalsContact C-N 3.27Å; K119-C121 PolarHBondContact O-N 2.97Å; K119-C121 VanDerWaalsContact O-N 3.14Å; C121-W173 WeakPolarHBondContact O-CH2 3.08Å
122	G	97	Very high	97.3	Very high	9 Å²	9	71 Å²	71	9%	0.093	35%	0.346	C	S	.	.			trans	66.8	-177.2	-170.9	0	0	0	0	0	112.8	K120 S174 T177	K120-G122 PolarHBondContact O-N 3.42Å; G122-S174 CarbonylContact C-O 3.33Å; G122-S174 WeakPolarHBondContact CA-O 3.01Å; G122-T177 WeakPolarHBondContact CA-O 3.18Å; G122-T177 PolarHBondContact N-O 2.81Å
123	K	97.4	Very high	97.2	Very high	54 Å²	54	69.2 Å²	69.2	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	131.8	177.6	174.8	170.6	-174.7	169.3	0	110.7	Y89 I125 S174 T177	Y89-K123 WeakPolarHBondContact OH-CE 3.28Å; Y89-K123 PolarHBondContact OH-NZ 3.07Å; K123-I125 HydrophobicContact CD-CG1 4.42Å; K123-I125 HydrophobicContact CG-CG1 4.2Å; K123-S174 PolarHBondContact N-O 2.96Å; K123-S174 PolarHBondContact O-N 3.07Å; K123-T177 HydrophobicContact CB-CG2 3.63Å; K123-T177 HydrophobicContact CD-CG2 4.22Å
124	L	96.9	Very high	97.1	Very high	36 Å²	36	66.4 Å²	66.4	19%	0.188	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	126.7	171	-155	71.2	0	0	0	109.5	V126 I159 Y162 A171 I172 W173	L124-V126 HydrophobicContact CB-CG2 4.27Å; L124-V126 HydrophobicContact CD2-CG2 3.66Å; L124-V126 HydrophobicContact CG-CG2 3.74Å; L124-I159 HydrophobicContact CD2-CB 4.37Å; L124-I159 HydrophobicContact CD2-CG1 4.27Å; L124-I159 HydrophobicContact CD2-CG2 3.72Å; L124-Y162 HydrophobicContact CD1-CG 4.37Å; L124-A171 HydrophobicContact CD1-CB 3.75Å; L124-A171 HydrophobicContact CD2-CB 4.2Å; L124-A171 HydrophobicContact CG-CB 3.73Å; L124-I172 WeakPolarHBondContact CA-O 3.27Å; L124-W173 HydrophobicContact CB-CE3 4.48Å; L124-W173 HydrophobicContact CD1-CB 4.2Å; L124-W173 HydrophobicContact CD1-CE3 3.95Å
125	I	97.3	Very high	96.9	Very high	20 Å²	20	72.7 Å²	72.7	10%	0.103	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112	175.4	-50	172.4	0	0	0	106.7	I88 Y89 K123 L136 L139 A171 I172	I88-I125 HydrophobicContact CB-CD1 4.47Å; I88-I125 HydrophobicContact CD1-CD1 3.88Å; I88-I125 HydrophobicContact CG2-CD1 3.94Å; Y89-I125 HydrophobicContact CE1-CD1 4.27Å; Y89-I125 HydrophobicContact CE2-CD1 4.29Å; Y89-I125 VanDerWaalsContact OH-CD1 3.32Å; Y89-I125 WeakPolarHBondContact OH-CD1 3.3Å; Y89-I125 WeakPolarHBondContact OH-CG1 3.16Å; K123-I125 HydrophobicContact CD-CG1 4.42Å; K123-I125 HydrophobicContact CG-CG1 4.2Å; I125-L136 HydrophobicContact CB-CD1 4.36Å; I125-L136 HydrophobicContact CG2-CD1 4.04Å; I125-L136 VanDerWaalsContact O-CD1 3.27Å; I125-L136 WeakPolarHBondContact O-CD1 3.32Å; I125-L139 HydrophobicContact CD1-CD2 4Å; I125-L139 HydrophobicContact CG2-CD2 3.85Å; I125-A171 CarbonylContact O-C 3.28Å; I125-A171 WeakPolarHBondContact O-CA 3.42Å; I125-A171 WeakPolarHBondContact O-CB 3.3Å; I125-I172 HydrophobicContact CB-CB 4.24Å; I125-I172 HydrophobicContact CD1-CB 4.45Å; I125-I172 HydrophobicContact CD1-CD1 4.49Å; I125-I172 PolarHBondContact N-O 2.94Å; I125-I172 PolarHBondContact O-N 3.42Å
126	V	97.8	Very high	96.9	Very high	20 Å²	20	62.4 Å²	62.4	12%	0.121	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	133.7	-163.1	-174	0	0	0	0	111	L124 V128 I159 A171 Y319	L124-V126 HydrophobicContact CB-CG2 4.27Å; L124-V126 HydrophobicContact CD2-CG2 3.66Å; L124-V126 HydrophobicContact CG-CG2 3.74Å; V126-V128 HydrophobicContact CG1-CG1 3.97Å; V126-I159 HydrophobicContact CG1-CD1 3.84Å; V126-A171 HydrophobicContact CB-CB 4.46Å; V126-A171 HydrophobicContact CG2-CB 3.96Å; V126-Y319 HydrophobicContact CB-CD1 4.37Å
127	A	97.5	Very high	96.8	Very high	2 Å²	2	65.4 Å²	65.4	2%	0.017	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	117.7	164.5	0	0	0	0	0	108.7	E132 L133 L136 G168 L169 K170	A127-E132 WeakPolarHBondContact CA-OE2 3.41Å; A127-E132 HydrophobicContact CB-CB 3.82Å; A127-L133 HydrophobicContact CB-CD2 3.92Å; A127-L136 HydrophobicContact CB-CB 4.23Å; A127-L136 HydrophobicContact CB-CD2 3.92Å; A127-G168 CarbonylContact O-C 3.54Å; A127-L169 PolarHBondContact O-N 3.46Å; A127-K170 PolarHBondContact N-O 2.85Å
128	V	96.4	Very high	96.8	Very high	26 Å²	26	66.4 Å²	66.4	16%	0.158	33%	0.331	C	S	.	.			trans	-101	-13.5	-180	-63.6	0	0	0	0	112.4	V126 E132 K167 R318 Y319	V126-V128 HydrophobicContact CG1-CG1 3.97Å; V128-E132 WeakPolarHBondContact CG2-OE2 3.38Å; V128-E132 PolarHBondContact N-OE2 3.13Å; V128-K167 WeakPolarHBondContact CG1-O 3.3Å; V128-R318 WeakPolarHBondContact CG1-O 3.15Å; V128-R318 HydrophobicContact CG2-CB 4.22Å; V128-Y319 HydrophobicContact CG1-CD1 3.5Å; V128-Y319 HydrophobicContact CG1-CE1 3.64Å; V128-Y319 HydrophobicContact CG1-CG 4.19Å; V128-Y319 HydrophobicContact CG2-CE1 4.05Å
129	E	95.4	Very high	96.7	Very high	85 Å²	85	64.8 Å²	64.8	40%	0.397	33%	0.326	S	S	.	.	S	Bend	trans	-125.4	151	175.3	-71.5	172.5	-156.4	0	0	111.6	S131 E132 R318	E129-S131 PolarHBondContact O-N 3.23Å; E129-E132 HydrophobicContact CB-CG 4.15Å; E129-E132 PolarHBondContact N-OE2 3.07Å; E129-E132 WeakPolarHBondContact O-CB 3.39Å; E129-E132 PolarHBondContact O-N 2.94Å; E129-R318 IonicContact OE1-CZ 2.65Å; E129-R318 IonicContact OE1-NE 3.08Å; E129-R318 PolarHBondContact OE1-NE 2.83Å; E129-R318 VanDerWaalsContact OE1-NE 3.14Å; E129-R318 IonicContact OE1-NH2 3.88Å; E129-R318 PolarHBondContact OE1-NH2 2.87Å; E129-R318 IonicContact OE2-NH2 3.05Å
130	H	97.3	Very high	96.7	Very high	145 Å²	145	61.1 Å²	61.1	67%	0.671	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-59	-34.4	179.4	-72.2	89.5	0	0	0	112.3	E132 L133 L169	H130-E132 PolarHBondContact O-N 3.11Å; H130-L133 WeakPolarHBondContact O-CB 3.49Å; H130-L133 PolarHBondContact O-N 3.34Å; H130-L169 HydrophobicContact CB-CD1 4.39Å; H130-L169 VanDerWaalsContact N-CD1 3.34Å
131	S	95.8	Very high	96.8	Very high	89 Å²	89	60.1 Å²	60.1	62%	0.622	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-62.4	-21.4	175	56.7	0	0	0	0	113.5	E129	E129-S131 PolarHBondContact O-N 3.23Å
132	E	96.1	Very high	96.9	Very high	36 Å²	36	60.6 Å²	60.6	17%	0.168	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-88	-17.6	-178.8	-62.2	175	164.4	0	0	112.7	A127 V128 E129 H130 R135 L136 R318	A127-E132 WeakPolarHBondContact CA-OE2 3.41Å; A127-E132 HydrophobicContact CB-CB 3.82Å; V128-E132 WeakPolarHBondContact CG2-OE2 3.38Å; V128-E132 PolarHBondContact N-OE2 3.13Å; E129-E132 HydrophobicContact CB-CG 4.15Å; E129-E132 PolarHBondContact N-OE2 3.07Å; E129-E132 WeakPolarHBondContact O-CB 3.39Å; E129-E132 PolarHBondContact O-N 2.94Å; H130-E132 PolarHBondContact O-N 3.11Å; E132-R135 PolarHBondContact O-N 3.03Å; E132-L136 PolarHBondContact O-N 3.24Å; E132-R318 IonicContact OE1-CZ 3.41Å; E132-R318 IonicContact OE1-NH2 2.7Å; E132-R318 PolarHBondContact OE1-NH2 2.68Å
133	L	97.1	Very high	96.9	Very high	49 Å²	49	60.1 Å²	60.1	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-58.4	-45.8	-177.6	-65.6	171.9	0	0	0	113.6	A127 H130 R135 L136 Q137 L169 K170	A127-L133 HydrophobicContact CB-CD2 3.92Å; H130-L133 WeakPolarHBondContact O-CB 3.49Å; H130-L133 PolarHBondContact O-N 3.34Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.5Å; L133-L136 WeakPolarHBondContact O-CB 3.47Å; L133-L136 PolarHBondContact O-N 3.47Å; L133-Q137 PolarHBondContact O-N 3.24Å; L133-L169 HydrophobicContact CD1-CD1 4.39Å; L133-L169 HydrophobicContact CD2-CB 4.06Å; L133-K170 HydrophobicContact CD2-CB 3.86Å; L133-K170 HydrophobicContact CD2-CD 4.28Å; L133-K170 HydrophobicContact CD2-CG 3.98Å
134	P	96.2	Very high	97	Very high	92 Å²	92	63.3 Å²	63.3	60%	0.597	31%	0.309	S	S	*	.	H	α-helix	trans	-62.8	-37.3	177.6	-22.9	35	0	0	0	112.6	Q137 L138	P134-Q137 PolarHBondContact O-N 2.95Å; P134-L138 WeakPolarHBondContact O-CB 3.11Å; P134-L138 PolarHBondContact O-N 3.38Å
135	R	95.1	Very high	97	Very high	188 Å²	188	68.1 Å²	68.1	71%	0.709	33%	0.33	S	S	*	.	H	α-helix	trans	-68.8	-37.4	177.3	-179.5	-179.6	167	-168.5	-2.9	111.5	E132 L133 L139	E132-R135 PolarHBondContact O-N 3.03Å; L133-R135 VanDerWaalsContact C-N 3.3Å; L133-R135 PolarHBondContact O-N 3.5Å; R135-L139 WeakPolarHBondContact O-CB 3.5Å; R135-L139 PolarHBondContact O-N 3.35Å
136	L	97	Very high	97.1	Very high	12 Å²	12	68.1 Å²	68.1	6%	0.063	33%	0.33	C	S	.	.	H	α-helix	trans	-63	-46.9	173.5	-171.9	75.5	0	0	0	110.6	I125 A127 E132 L133 L138 L139 Y140 K170 I172	I125-L136 HydrophobicContact CB-CD1 4.36Å; I125-L136 HydrophobicContact CG2-CD1 4.04Å; I125-L136 VanDerWaalsContact O-CD1 3.27Å; I125-L136 WeakPolarHBondContact O-CD1 3.32Å; A127-L136 HydrophobicContact CB-CB 4.23Å; A127-L136 HydrophobicContact CB-CD2 3.92Å; E132-L136 PolarHBondContact O-N 3.24Å; L133-L136 WeakPolarHBondContact O-CB 3.47Å; L133-L136 PolarHBondContact O-N 3.47Å; L136-L138 PolarHBondContact O-N 2.82Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 PolarHBondContact O-N 2.87Å; L136-L139 VanDerWaalsContact O-N 3.13Å; L136-Y140 PolarHBondContact O-N 2.98Å; L136-K170 HydrophobicContact CD2-CB 3.75Å; L136-K170 WeakPolarHBondContact CD2-O 3.43Å; L136-I172 HydrophobicContact CD1-CD1 3.76Å; L136-I172 HydrophobicContact CD1-CG1 3.81Å; L136-I172 HydrophobicContact CG-CD1 4.16Å; L136-I172 HydrophobicContact CG-CG1 4.06Å; L136-I172 WeakPolarHBondContact O-CD1 3.43Å
137	Q	97.5	Very high	97.1	Very high	83 Å²	83	69.3 Å²	69.3	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-60.9	-46.3	177.5	-171.5	61.9	33.8	0	0	111.7	L133 P134 L139 Y140 E141	L133-Q137 PolarHBondContact O-N 3.24Å; P134-Q137 PolarHBondContact O-N 2.95Å; Q137-L139 PolarHBondContact O-N 3.26Å; Q137-Y140 WeakPolarHBondContact O-CB 3.44Å; Q137-Y140 PolarHBondContact O-N 2.88Å; Q137-Y140 VanDerWaalsContact O-N 3.07Å; Q137-E141 PolarHBondContact NE2-OE1 3.07Å; Q137-E141 PolarHBondContact O-N 3.24Å
138	L	96.7	Very high	97.1	Very high	107 Å²	107	69.6 Å²	69.6	56%	0.56	35%	0.348	S	S	*	.	H	α-helix	trans	-58	-37.2	176	-179.3	63.3	0	0	0	112.1	P134 L136 R142	P134-L138 WeakPolarHBondContact O-CB 3.11Å; P134-L138 PolarHBondContact O-N 3.38Å; L136-L138 PolarHBondContact O-N 2.82Å; L138-R142 VanDerWaalsContact O-CB 3.3Å; L138-R142 WeakPolarHBondContact O-CB 3.33Å; L138-R142 PolarHBondContact O-N 2.78Å
139	L	96.5	Very high	97.1	Very high	22 Å²	22	70.2 Å²	70.2	12%	0.115	35%	0.353	C	S	.	.	H	α-helix	trans	-70.5	-35.1	177.3	-173.5	62.9	0	0	0	112.4	I88 Y89 I125 R135 L136 Q137 G143 I172	I88-L139 HydrophobicContact CG2-CD1 3.7Å; I88-L139 HydrophobicContact CG2-CD2 4.25Å; I88-L139 HydrophobicContact CG2-CG 3.62Å; I88-L139 WeakPolarHBondContact O-CD1 3.34Å; Y89-L139 HydrophobicContact CD1-CD1 3.75Å; Y89-L139 HydrophobicContact CD1-CD2 3.99Å; Y89-L139 HydrophobicContact CE1-CD1 4.27Å; Y89-L139 HydrophobicContact CE1-CD2 3.64Å; Y89-L139 HydrophobicContact CG-CD1 4.38Å; I125-L139 HydrophobicContact CD1-CD2 4Å; I125-L139 HydrophobicContact CG2-CD2 3.85Å; R135-L139 WeakPolarHBondContact O-CB 3.5Å; R135-L139 PolarHBondContact O-N 3.35Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 PolarHBondContact O-N 2.87Å; L136-L139 VanDerWaalsContact O-N 3.13Å; Q137-L139 PolarHBondContact O-N 3.26Å; L139-G143 PolarHBondContact O-N 3.37Å; L139-I172 HydrophobicContact CB-CD1 4.02Å; L139-I172 HydrophobicContact CD2-CD1 4.18Å; L139-I172 HydrophobicContact CG-CD1 4.02Å
140	Y	98.1	Very high	97.2	Very high	43 Å²	43	71.7 Å²	71.7	17%	0.169	36%	0.363	C	S	.	.	H	α-helix	trans	-63.4	-50.6	172.6	178.1	-105.4	0	0	0	111.1	L136 Q137 R142 G143 K144 I151 I153 I172	L136-Y140 PolarHBondContact O-N 2.98Å; Q137-Y140 WeakPolarHBondContact O-CB 3.44Å; Q137-Y140 PolarHBondContact O-N 2.88Å; Q137-Y140 VanDerWaalsContact O-N 3.07Å; Y140-R142 VanDerWaalsContact C-N 3.29Å; Y140-R142 PolarHBondContact O-N 3.25Å; Y140-G143 WeakPolarHBondContact O-CA 3.49Å; Y140-G143 PolarHBondContact O-N 2.88Å; Y140-G143 VanDerWaalsContact O-N 3.07Å; Y140-K144 HydrophobicContact CD1-CG 4.42Å; Y140-K144 HydrophobicContact CE1-CD 4.49Å; Y140-K144 HydrophobicContact CE1-CG 4.02Å; Y140-K144 HydrophobicContact CE2-CD 4.46Å; Y140-K144 HydrophobicContact CE2-CG 4.42Å; Y140-K144 WeakPolarHBondContact O-CG 3.43Å; Y140-K144 PolarHBondContact O-N 3.15Å; Y140-I151 HydrophobicContact CD2-CD1 3.96Å; Y140-I151 HydrophobicContact CD2-CG1 4.43Å; Y140-I151 HydrophobicContact CE2-CB 4.39Å; Y140-I151 HydrophobicContact CE2-CD1 4.01Å; Y140-I151 HydrophobicContact CE2-CG1 4.06Å; Y140-I153 HydrophobicContact CD1-CD1 4.17Å; Y140-I153 HydrophobicContact CD1-CG1 4.18Å; Y140-I153 HydrophobicContact CD2-CD1 3.68Å; Y140-I153 HydrophobicContact CD2-CG1 3.98Å; Y140-I153 HydrophobicContact CE1-CG1 4.31Å; Y140-I153 HydrophobicContact CE2-CD1 4.32Å; Y140-I153 HydrophobicContact CE2-CG1 4.13Å; Y140-I153 HydrophobicContact CG-CD1 3.59Å; Y140-I153 HydrophobicContact CG-CG1 4.01Å; Y140-I172 HydrophobicContact CD2-CG1 4.31Å; Y140-I172 HydrophobicContact CD2-CG2 4.3Å
141	E	98.1	Very high	97.3	Very high	82 Å²	82	65.3 Å²	65.3	38%	0.383	33%	0.334	S	S	.	.	H	α-helix	trans	-59.2	-41.6	177	-63.9	-49.1	141.1	0	0	111.8	Q137 G143 K144 Q145	Q137-E141 PolarHBondContact NE2-OE1 3.07Å; Q137-E141 PolarHBondContact O-N 3.24Å; E141-G143 PolarHBondContact O-N 2.84Å; E141-K144 WeakPolarHBondContact O-CB 3.08Å; E141-K144 PolarHBondContact O-N 3.47Å; E141-Q145 WeakPolarHBondContact O-CG 3.34Å; E141-Q145 PolarHBondContact O-N 2.98Å
142	R	97.6	Very high	97.4	Very high	72 Å²	72	65.6 Å²	65.6	27%	0.272	32%	0.324	S	S	.	.	H	α-helix	trans	-59.4	-45.7	173.6	177.9	177.7	-66.4	-164.5	0.7	112	I88 Y89 Y90 P92 L138 Y140 K144 Q145 N146	I88-R142 WeakPolarHBondContact O-CD 3.47Å; I88-R142 WeakPolarHBondContact O-CG 3.33Å; Y89-R142 WeakPolarHBondContact O-CD 3.33Å; Y89-R142 PolarHBondContact O-NH1 2.8Å; Y90-R142 VanDerWaalsContact O-CD 3.22Å; Y90-R142 WeakPolarHBondContact O-CD 3.36Å; Y90-R142 VanDerWaalsContact O-CG 3.3Å; Y90-R142 WeakPolarHBondContact O-CG 3.5Å; P92-R142 HydrophobicContact CG-CG 4.06Å; L138-R142 VanDerWaalsContact O-CB 3.3Å; L138-R142 WeakPolarHBondContact O-CB 3.33Å; L138-R142 PolarHBondContact O-N 2.78Å; Y140-R142 VanDerWaalsContact C-N 3.29Å; Y140-R142 PolarHBondContact O-N 3.25Å; R142-K144 VanDerWaalsContact C-N 3.29Å; R142-K144 PolarHBondContact O-N 2.91Å; R142-Q145 PolarHBondContact O-N 2.83Å; R142-N146 WeakPolarHBondContact O-CB 3.32Å; R142-N146 PolarHBondContact O-N 2.93Å; R142-N146 PolarHBondContact O-ND2 3.13Å
143	G	97.6	Very high	97.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-59.3	-40.3	175.4	0	0	0	0	0	112.2	L139 Y140 E141 N146 G147 T148	L139-G143 PolarHBondContact O-N 3.37Å; Y140-G143 WeakPolarHBondContact O-CA 3.49Å; Y140-G143 PolarHBondContact O-N 2.88Å; Y140-G143 VanDerWaalsContact O-N 3.07Å; E141-G143 PolarHBondContact O-N 2.84Å; G143-N146 PolarHBondContact O-N 2.96Å; G143-G147 PolarHBondContact O-N 2.79Å; G143-T148 WeakPolarHBondContact O-CB 3.49Å; G143-T148 PolarHBondContact O-N 2.89Å; G143-T148 PolarHBondContact O-OG1 3.11Å
144	K	98.3	Very high	97.5	Very high	120 Å²	120	64.3 Å²	64.3	52%	0.522	32%	0.318	S	S	.	.	H	α-helix	trans	-63.7	-47.7	174.9	-68.4	-68.9	-66.2	-176.1	0	111.5	Y140 E141 R142 N146 G147 I151	Y140-K144 HydrophobicContact CD1-CG 4.42Å; Y140-K144 HydrophobicContact CE1-CD 4.49Å; Y140-K144 HydrophobicContact CE1-CG 4.02Å; Y140-K144 HydrophobicContact CE2-CD 4.46Å; Y140-K144 HydrophobicContact CE2-CG 4.42Å; Y140-K144 WeakPolarHBondContact O-CG 3.43Å; Y140-K144 PolarHBondContact O-N 3.15Å; E141-K144 WeakPolarHBondContact O-CB 3.08Å; E141-K144 PolarHBondContact O-N 3.47Å; R142-K144 VanDerWaalsContact C-N 3.29Å; R142-K144 PolarHBondContact O-N 2.91Å; K144-N146 VanDerWaalsContact C-N 3.26Å; K144-N146 PolarHBondContact O-N 3.01Å; K144-G147 PolarHBondContact O-N 2.88Å; K144-I151 HydrophobicContact CD-CD1 4.14Å; K144-I151 HydrophobicContact CD-CG1 4.16Å; K144-I151 HydrophobicContact CG-CD1 4.1Å
145	Q	98.2	Very high	97.6	Very high	138 Å²	138	63.4 Å²	63.4	65%	0.645	31%	0.309	S	S	*	.	H	α-helix	trans	-62.2	-32.9	177.4	-72	174.5	-19.3	0	0	112.9	P92 E141 R142 G147	P92-Q145 HydrophobicContact CB-CB 4.1Å; P92-Q145 HydrophobicContact CG-CB 4.01Å; E141-Q145 WeakPolarHBondContact O-CG 3.34Å; E141-Q145 PolarHBondContact O-N 2.98Å; R142-Q145 PolarHBondContact O-N 2.83Å; Q145-G147 VanDerWaalsContact C-N 3.25Å; Q145-G147 PolarHBondContact O-N 2.61Å
146	N	98.1	Very high	97.7	Very high	19 Å²	19	55.5 Å²	55.5	10%	0.102	29%	0.285	C	S	.	.	H	α-helix	trans	-75.6	-13.5	175.8	-70.1	-12.5	0	0	0	113.3	G87 Y90 P92 A97 V101 R142 G143 K144	G87-N146 PolarHBondContact O-ND2 3.33Å; Y90-N146 PolarHBondContact O-ND2 3.46Å; P92-N146 WeakPolarHBondContact CA-OD1 3.32Å; A97-N146 HydrophobicContact CB-CB 4.48Å; V101-N146 HydrophobicContact CG2-CB 4.43Å; V101-N146 WeakPolarHBondContact CG2-O 3.44Å; R142-N146 WeakPolarHBondContact O-CB 3.32Å; R142-N146 PolarHBondContact O-N 2.93Å; R142-N146 PolarHBondContact O-ND2 3.13Å; G143-N146 PolarHBondContact O-N 2.96Å; K144-N146 VanDerWaalsContact C-N 3.26Å; K144-N146 PolarHBondContact O-N 3.01Å
147	G	97.7	Very high	97.8	Very high	45 Å²	45	59.6 Å²	59.6	46%	0.464	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.8	28.3	-172.6	0	0	0	0	0	113.1	V101 G143 K144 Q145	V101-G147 WeakPolarHBondContact CG1-O 3.18Å; G143-G147 PolarHBondContact O-N 2.79Å; K144-G147 PolarHBondContact O-N 2.88Å; Q145-G147 VanDerWaalsContact C-N 3.25Å; Q145-G147 PolarHBondContact O-N 2.61Å
148	T	97.7	Very high	97.8	Very high	8 Å²	8	59.2 Å²	59.2	5%	0.049	32%	0.316	C	S	.	.			trans	-60.6	124.7	172.3	-65.5	0	0	0	0	109.5	A86 I88 G143 I151	A86-T148 HydrophobicContact CB-CG2 3.81Å; A86-T148 VanDerWaalsContact O-CG2 3.25Å; A86-T148 WeakPolarHBondContact O-CG2 3.48Å; A86-T148 PolarHBondContact O-OG1 2.92Å; I88-T148 HydrophobicContact CD1-CG2 4.21Å; I88-T148 HydrophobicContact CG1-CG2 3.67Å; G143-T148 WeakPolarHBondContact O-CB 3.49Å; G143-T148 PolarHBondContact O-N 2.89Å; G143-T148 PolarHBondContact O-OG1 3.11Å; T148-I151 HydrophobicContact CG2-CG2 3.44Å; T148-I151 VanDerWaalsContact CG2-CG2 3.44Å
149	P	97	Very high	97.8	Very high	40 Å²	40	54.1 Å²	54.1	26%	0.26	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	139.6	-173.9	27.5	-35.1	0	0	0	112.3	L104 I151 H176	L104-P149 HydrophobicContact CD2-CG 3.95Å; P149-I151 PolarHBondContact O-N 3.03Å; P149-H176 HydrophobicContact CG-CB 3.99Å; P149-H176 VanDerWaalsContact CG-CD2 3.49Å; P149-H176 WeakPolarHBondContact CG-CD2 3.42Å
150	D	97.9	Very high	97.9	Very high	115 Å²	115	55.9 Å²	55.9	62%	0.615	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	26.8	166.2	-51	-34.8	0	0	0	116.5	P175 H176	D150-P175 HydrophobicContact CB-CG 3.69Å; D150-P175 VanDerWaalsContact O-CD 3.25Å; D150-P175 WeakPolarHBondContact O-CD 3.01Å; D150-P175 WeakPolarHBondContact O-CG 3.33Å; D150-H176 IonicContact OD2-CD2 3.42Å; D150-H176 IonicContact OD2-CE1 3.59Å; D150-H176 IonicContact OD2-NE2 3.69Å; D150-H176 PolarHBondContact OD2-NE2 2.81Å
151	I	98.2	Very high	97.8	Very high	12 Å²	12	59 Å²	59	6%	0.062	33%	0.325	C	S	.	.			trans	-70.9	139.9	172.9	53.6	166.3	0	0	0	111.4	I88 Y140 K144 T148 P149 I172 W173	I88-I151 HydrophobicContact CD1-CG2 3.88Å; I88-I151 HydrophobicContact CG1-CG2 4.35Å; Y140-I151 HydrophobicContact CD2-CD1 3.96Å; Y140-I151 HydrophobicContact CD2-CG1 4.43Å; Y140-I151 HydrophobicContact CE2-CB 4.39Å; Y140-I151 HydrophobicContact CE2-CD1 4.01Å; Y140-I151 HydrophobicContact CE2-CG1 4.06Å; K144-I151 HydrophobicContact CD-CD1 4.14Å; K144-I151 HydrophobicContact CD-CG1 4.16Å; K144-I151 HydrophobicContact CG-CD1 4.1Å; T148-I151 HydrophobicContact CG2-CG2 3.44Å; T148-I151 VanDerWaalsContact CG2-CG2 3.44Å; P149-I151 PolarHBondContact O-N 3.03Å; I151-I172 HydrophobicContact CB-CG2 4.22Å; I151-I172 HydrophobicContact CG2-CG2 4.34Å; I151-W173 VanDerWaalsContact CA-O 3.27Å; I151-W173 WeakPolarHBondContact CA-O 3.48Å
152	K	98.2	Very high	97.7	Very high	94 Å²	94	58.6 Å²	58.6	41%	0.409	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.5	176.4	62.7	-177.4	-176.1	175.2	0	111.6	V154 Y162 I172 W173	K152-V154 HydrophobicContact CG-CG2 4.43Å; K152-Y162 WeakPolarHBondContact CE-OH 3.46Å; K152-Y162 PolarHBondContact NZ-OH 2.89Å; K152-I172 WeakPolarHBondContact O-CA 3.43Å; K152-W173 HydrophobicContact CG-CB 3.97Å; K152-W173 HydrophobicContact CG-CG 4.47Å; K152-W173 PolarHBondContact N-O 3.47Å; K152-W173 PolarHBondContact O-N 2.95Å
153	I	98.3	Very high	97.6	Very high	53 Å²	53	59 Å²	59	27%	0.272	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	141.3	166.6	-62.4	-61.9	0	0	0	108.5	Y140 K170 A171 I172	Y140-I153 HydrophobicContact CD1-CD1 4.17Å; Y140-I153 HydrophobicContact CD1-CG1 4.18Å; Y140-I153 HydrophobicContact CD2-CD1 3.68Å; Y140-I153 HydrophobicContact CD2-CG1 3.98Å; Y140-I153 HydrophobicContact CE1-CG1 4.31Å; Y140-I153 HydrophobicContact CE2-CD1 4.32Å; Y140-I153 HydrophobicContact CE2-CG1 4.13Å; Y140-I153 HydrophobicContact CG-CD1 3.59Å; Y140-I153 HydrophobicContact CG-CG1 4.01Å; I153-K170 HydrophobicContact CG2-CD 4.37Å; I153-A171 CarbonylContact C-O 3.57Å; I153-A171 WeakPolarHBondContact CA-O 3.49Å; I153-I172 HydrophobicContact CD1-CG1 3.92Å
154	V	98.3	Very high	97.5	Very high	5 Å²	5	63.3 Å²	63.3	3%	0.03	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.1	175.9	177.6	0	0	0	0	107.2	K152 D158 I159 Y162 K170 A171 W173	K152-V154 HydrophobicContact CG-CG2 4.43Å; V154-D158 HydrophobicContact CG1-CB 3.72Å; V154-I159 HydrophobicContact CG1-CG1 4.21Å; V154-Y162 HydrophobicContact CB-CE2 4.46Å; V154-Y162 HydrophobicContact CG1-CD2 4Å; V154-Y162 HydrophobicContact CG1-CE2 3.64Å; V154-Y162 HydrophobicContact CG2-CE2 3.89Å; V154-K170 CarbonylContact O-C 3.59Å; V154-K170 WeakPolarHBondContact O-CA 3.44Å; V154-A171 HydrophobicContact CB-CB 4.29Å; V154-A171 PolarHBondContact N-O 2.91Å; V154-A171 PolarHBondContact O-N 3.11Å; V154-W173 HydrophobicContact CG2-CB 3.67Å
155	D	98	Very high	97.4	Very high	74 Å²	74	64.9 Å²	64.9	40%	0.396	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	154.4	175.4	-72.3	-51.3	0	0	0	111	S157 D158 I159 K170	D155-S157 PolarHBondContact O-N 2.8Å; D155-S157 VanDerWaalsContact O-N 3.15Å; D155-D158 PolarHBondContact O-N 2.85Å; D155-I159 PolarHBondContact O-N 3.42Å; D155-K170 IonicContact OD1-NZ 3.14Å; D155-K170 PolarHBondContact OD1-NZ 3.5Å
156	G	97.5	Very high	97.3	Very high	21 Å²	21	58.9 Å²	58.9	22%	0.216	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-55.2	-34.4	-174.8	0	0	0	0	0	114.4	D158 I159 G168 L169	G156-D158 PolarHBondContact O-N 2.82Å; G156-I159 PolarHBondContact O-N 3.11Å; G156-G168 WeakPolarHBondContact CA-O 3.44Å; G156-L169 VanDerWaalsContact CA-O 3.27Å; G156-L169 WeakPolarHBondContact CA-O 3.45Å; G156-L169 PolarHBondContact N-O 3.47Å
157	S	97.3	Very high	97.1	Very high	98 Å²	98	64.4 Å²	64.4	69%	0.685	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-62.7	-28.8	176	53.6	0	0	0	0	113.4	D155	D155-S157 PolarHBondContact O-N 2.8Å; D155-S157 VanDerWaalsContact O-N 3.15Å
158	D	97.8	Very high	97.1	Very high	75 Å²	75	63.2 Å²	63.2	40%	0.401	34%	0.341	S	S	.	.	G	3₁₀ helix	trans	-94.6	-14	-174.1	-61.5	-17	0	0	0	112	V154 D155 G156 P160 T161 Y162	V154-D158 HydrophobicContact CG1-CB 3.72Å; D155-D158 PolarHBondContact O-N 2.85Å; G156-D158 PolarHBondContact O-N 2.82Å; D158-P160 VanDerWaalsContact C-CD 3.5Å; D158-P160 VanDerWaalsContact C-N 3.34Å; D158-T161 WeakPolarHBondContact O-CB 3.22Å; D158-T161 PolarHBondContact O-N 2.69Å; D158-T161 PolarHBondContact O-OG1 2.95Å; D158-Y162 WeakPolarHBondContact O-CD2 3.34Å
159	I	98.2	Very high	97.1	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-50.6	-46.1	178.9	-71.3	175.5	0	0	0	112.5	L124 V126 V154 D155 G156 T161 Y162 E163 C166 A171	L124-I159 HydrophobicContact CD2-CB 4.37Å; L124-I159 HydrophobicContact CD2-CG1 4.27Å; L124-I159 HydrophobicContact CD2-CG2 3.72Å; V126-I159 HydrophobicContact CG1-CD1 3.84Å; V154-I159 HydrophobicContact CG1-CG1 4.21Å; D155-I159 PolarHBondContact O-N 3.42Å; G156-I159 PolarHBondContact O-N 3.11Å; I159-T161 PolarHBondContact O-N 3.21Å; I159-T161 VanDerWaalsContact O-N 3.11Å; I159-Y162 PolarHBondContact O-N 2.78Å; I159-E163 PolarHBondContact O-N 3.37Å; I159-C166 HydrophobicContact CG2-CB 3.85Å; I159-C166 WeakPolarHBondContact CG2-O 3.3Å; I159-A171 HydrophobicContact CD1-CB 3.97Å; I159-A171 HydrophobicContact CG1-CB 4.04Å
160	P	97	Very high	97.1	Very high	60 Å²	60	67.7 Å²	67.7	39%	0.39	36%	0.358	S	S	.	.	H	α-helix	trans	-61.9	-19.3	178.8	-25.5	36.9	0	0	0	114.7	D158 Y162 E163 P164	D158-P160 VanDerWaalsContact C-CD 3.5Å; D158-P160 VanDerWaalsContact C-N 3.34Å; P160-Y162 PolarHBondContact O-N 3.28Å; P160-E163 WeakPolarHBondContact CA-O 3.49Å; P160-P164 WeakPolarHBondContact O-CA 3.43Å
161	T	96.5	Very high	97.2	Very high	108 Å²	108	62.2 Å²	62.2	66%	0.663	33%	0.329	S	S	*	.	H	α-helix	trans	-72.2	-21	174.2	72.8	0	0	0	0	112.5	D158 I159	D158-T161 WeakPolarHBondContact O-CB 3.22Å; D158-T161 PolarHBondContact O-N 2.69Å; D158-T161 PolarHBondContact O-OG1 2.95Å; I159-T161 PolarHBondContact O-N 3.21Å; I159-T161 VanDerWaalsContact O-N 3.11Å
162	Y	96.1	Very high	97.2	Very high	73 Å²	73	61.6 Å²	61.6	29%	0.286	33%	0.326	S	S	.	.	H	α-helix	trans	-97	-43.6	175.2	-63	-97.5	0	0	0	111.8	L124 K152 V154 D158 I159 P160 W173	L124-Y162 HydrophobicContact CD1-CG 4.37Å; K152-Y162 WeakPolarHBondContact CE-OH 3.46Å; K152-Y162 PolarHBondContact NZ-OH 2.89Å; V154-Y162 HydrophobicContact CB-CE2 4.46Å; V154-Y162 HydrophobicContact CG1-CD2 4Å; V154-Y162 HydrophobicContact CG1-CE2 3.64Å; V154-Y162 HydrophobicContact CG2-CE2 3.89Å; D158-Y162 WeakPolarHBondContact O-CD2 3.34Å; I159-Y162 PolarHBondContact O-N 2.78Å; P160-Y162 PolarHBondContact O-N 3.28Å; Y162-W173 AromaticContact CD1-CD2 3.58Å; Y162-W173 HydrophobicContact CD1-CD2 3.58Å; Y162-W173 AromaticContact CD1-CE2 3.88Å; Y162-W173 AromaticContact CD1-CE3 3.68Å; Y162-W173 HydrophobicContact CD1-CE3 3.68Å; Y162-W173 HydrophobicContact CD1-CG 4.04Å; Y162-W173 HydrophobicContact CD1-CH2 4.27Å; Y162-W173 HydrophobicContact CD1-CZ2 4.23Å; Y162-W173 HydrophobicContact CD1-CZ3 4.03Å; Y162-W173 HydrophobicContact CE1-CB 4.25Å; Y162-W173 AromaticContact CE1-CD1 3.88Å; Y162-W173 AromaticContact CE1-CD2 3.66Å; Y162-W173 HydrophobicContact CE1-CD2 3.66Å; Y162-W173 AromaticContact CE1-CE2 3.85Å; Y162-W173 HydrophobicContact CE1-CE3 4.24Å; Y162-W173 AromaticContact CE1-CG 3.66Å; Y162-W173 HydrophobicContact CE1-CG 3.66Å; Y162-W173 AromaticContact CE1-NE1 3.92Å; Y162-W173 HydrophobicContact CG-CE3 4.48Å
163	E	95.7	Very high	97.2	Very high	82 Å²	82	59.4 Å²	59.4	38%	0.383	32%	0.315	S	S	.	.			trans	-142.2	101.2	177.8	175.7	49.4	-115.1	0	0	109.4	I159 P160 Y165 C166	I159-E163 PolarHBondContact O-N 3.37Å; P160-E163 WeakPolarHBondContact CA-O 3.49Å; E163-Y165 PolarHBondContact O-N 3.36Å; E163-Y165 VanDerWaalsContact O-N 3.07Å; E163-Y165 PolarHBondContact OE1-N 2.74Å; E163-C166 HydrophobicContact CB-CB 3.83Å; E163-C166 HydrophobicContact CG-CB 3.57Å; E163-C166 WeakPolarHBondContact O-CB 3.22Å; E163-C166 PolarHBondContact O-N 2.87Å
164	P	95.8	Very high	97.2	Very high	90 Å²	90	56.9 Å²	56.9	58%	0.584	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.4	-169.6	-28.9	35.5	0	0	0	115.5	P160	P160-P164 WeakPolarHBondContact O-CA 3.43Å
165	Y	95.1	Very high	97.1	Very high	152 Å²	152	58.2 Å²	58.2	60%	0.596	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	-7.9	-178.5	-58.1	-72.6	0	0	0	113.6	E163	E163-Y165 PolarHBondContact O-N 3.36Å; E163-Y165 VanDerWaalsContact O-N 3.07Å; E163-Y165 PolarHBondContact OE1-N 2.74Å
166	C	96.5	Very high	97.1	Very high	12 Å²	12	56.9 Å²	56.9	8%	0.081	30%	0.303	C	S	.	.			trans	-83.7	139	-179.8	-169.4	0	0	0	0	111.1	I159 E163 Y319	I159-C166 HydrophobicContact CG2-CB 3.85Å; I159-C166 WeakPolarHBondContact CG2-O 3.3Å; E163-C166 HydrophobicContact CB-CB 3.83Å; E163-C166 HydrophobicContact CG-CB 3.57Å; E163-C166 WeakPolarHBondContact O-CB 3.22Å; E163-C166 PolarHBondContact O-N 2.87Å; C166-Y319 WeakPolarHBondContact CA-O 3.42Å
167	K	94.4	Very high	97.2	Very high	136 Å²	136	56.2 Å²	56.2	59%	0.591	29%	0.294	S	S	*	.			trans	-122.9	150.9	170.9	-60.7	-167.3	-175.3	-179.1	0	110.6	V128 Y319 P321	V128-K167 WeakPolarHBondContact CG1-O 3.3Å; K167-Y319 PolarHBondContact N-O 3.19Å; K167-P321 HydrophobicContact CD-CG 4.08Å; K167-P321 HydrophobicContact CG-CG 4.47Å
168	G	97.1	Very high	97.2	Very high	19 Å²	19	51.6 Å²	51.6	20%	0.196	26%	0.262	C	S	.	.			trans	-179.4	170.7	174.6	0	0	0	0	0	112.6	A127 G156	A127-G168 CarbonylContact O-C 3.54Å; G156-G168 WeakPolarHBondContact CA-O 3.44Å
169	L	97.7	Very high	97.2	Very high	61 Å²	61	48.4 Å²	48.4	32%	0.319	25%	0.245	S	C	.	.	S	Bend	trans	-82.5	-42.9	179	-56.9	179.4	0	0	0	111.5	A127 H130 L133 G156	A127-L169 PolarHBondContact O-N 3.46Å; H130-L169 HydrophobicContact CB-CD1 4.39Å; H130-L169 VanDerWaalsContact N-CD1 3.34Å; L133-L169 HydrophobicContact CD1-CD1 4.39Å; L133-L169 HydrophobicContact CD2-CB 4.06Å; G156-L169 VanDerWaalsContact CA-O 3.27Å; G156-L169 WeakPolarHBondContact CA-O 3.45Å; G156-L169 PolarHBondContact N-O 3.47Å
170	K	98.1	Very high	97.2	Very high	81 Å²	81	48.7 Å²	48.7	35%	0.352	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	161	173.8	-71.3	-163.3	179.6	-115.3	0	110	A127 L133 L136 I153 V154 D155	A127-K170 PolarHBondContact N-O 2.85Å; L133-K170 HydrophobicContact CD2-CB 3.86Å; L133-K170 HydrophobicContact CD2-CD 4.28Å; L133-K170 HydrophobicContact CD2-CG 3.98Å; L136-K170 HydrophobicContact CD2-CB 3.75Å; L136-K170 WeakPolarHBondContact CD2-O 3.43Å; I153-K170 HydrophobicContact CG2-CD 4.37Å; V154-K170 CarbonylContact O-C 3.59Å; V154-K170 WeakPolarHBondContact O-CA 3.44Å; D155-K170 IonicContact OD1-NZ 3.14Å; D155-K170 PolarHBondContact OD1-NZ 3.5Å
171	A	98.5	Very high	97.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	162.1	175	0	0	0	0	0	113.7	L124 I125 V126 I153 V154 I159	L124-A171 HydrophobicContact CD1-CB 3.75Å; L124-A171 HydrophobicContact CD2-CB 4.2Å; L124-A171 HydrophobicContact CG-CB 3.73Å; I125-A171 CarbonylContact O-C 3.28Å; I125-A171 WeakPolarHBondContact O-CA 3.42Å; I125-A171 WeakPolarHBondContact O-CB 3.3Å; V126-A171 HydrophobicContact CB-CB 4.46Å; V126-A171 HydrophobicContact CG2-CB 3.96Å; I153-A171 CarbonylContact C-O 3.57Å; I153-A171 WeakPolarHBondContact CA-O 3.49Å; V154-A171 HydrophobicContact CB-CB 4.29Å; V154-A171 PolarHBondContact N-O 2.91Å; V154-A171 PolarHBondContact O-N 3.11Å; I159-A171 HydrophobicContact CD1-CB 3.97Å; I159-A171 HydrophobicContact CG1-CB 4.04Å
172	I	98.4	Very high	97.3	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	125.3	160.9	-58.8	160.2	0	0	0	107.5	L124 I125 L136 L139 Y140 I151 K152 I153	L124-I172 WeakPolarHBondContact CA-O 3.27Å; I125-I172 HydrophobicContact CB-CB 4.24Å; I125-I172 HydrophobicContact CD1-CB 4.45Å; I125-I172 HydrophobicContact CD1-CD1 4.49Å; I125-I172 PolarHBondContact N-O 2.94Å; I125-I172 PolarHBondContact O-N 3.42Å; L136-I172 HydrophobicContact CD1-CD1 3.76Å; L136-I172 HydrophobicContact CD1-CG1 3.81Å; L136-I172 HydrophobicContact CG-CD1 4.16Å; L136-I172 HydrophobicContact CG-CG1 4.06Å; L136-I172 WeakPolarHBondContact O-CD1 3.43Å; L139-I172 HydrophobicContact CB-CD1 4.02Å; L139-I172 HydrophobicContact CD2-CD1 4.18Å; L139-I172 HydrophobicContact CG-CD1 4.02Å; Y140-I172 HydrophobicContact CD2-CG1 4.31Å; Y140-I172 HydrophobicContact CD2-CG2 4.3Å; I151-I172 HydrophobicContact CB-CG2 4.22Å; I151-I172 HydrophobicContact CG2-CG2 4.34Å; K152-I172 WeakPolarHBondContact O-CA 3.43Å; I153-I172 HydrophobicContact CD1-CG1 3.92Å
173	W	98.5	Very high	97.2	Very high	48 Å²	48	41 Å²	41	18%	0.182	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	128.5	167.3	174.3	-115	0	0	0	110.6	C121 L124 I151 K152 V154 Y162 P175	C121-W173 WeakPolarHBondContact O-CH2 3.08Å; L124-W173 HydrophobicContact CB-CE3 4.48Å; L124-W173 HydrophobicContact CD1-CB 4.2Å; L124-W173 HydrophobicContact CD1-CE3 3.95Å; I151-W173 VanDerWaalsContact CA-O 3.27Å; I151-W173 WeakPolarHBondContact CA-O 3.48Å; K152-W173 HydrophobicContact CG-CB 3.97Å; K152-W173 HydrophobicContact CG-CG 4.47Å; K152-W173 PolarHBondContact N-O 3.47Å; K152-W173 PolarHBondContact O-N 2.95Å; V154-W173 HydrophobicContact CG2-CB 3.67Å; Y162-W173 AromaticContact CD1-CD2 3.58Å; Y162-W173 HydrophobicContact CD1-CD2 3.58Å; Y162-W173 AromaticContact CD1-CE2 3.88Å; Y162-W173 AromaticContact CD1-CE3 3.68Å; Y162-W173 HydrophobicContact CD1-CE3 3.68Å; Y162-W173 HydrophobicContact CD1-CG 4.04Å; Y162-W173 HydrophobicContact CD1-CH2 4.27Å; Y162-W173 HydrophobicContact CD1-CZ2 4.23Å; Y162-W173 HydrophobicContact CD1-CZ3 4.03Å; Y162-W173 HydrophobicContact CE1-CB 4.25Å; Y162-W173 AromaticContact CE1-CD1 3.88Å; Y162-W173 AromaticContact CE1-CD2 3.66Å; Y162-W173 HydrophobicContact CE1-CD2 3.66Å; Y162-W173 AromaticContact CE1-CE2 3.85Å; Y162-W173 HydrophobicContact CE1-CE3 4.24Å; Y162-W173 AromaticContact CE1-CG 3.66Å; Y162-W173 HydrophobicContact CE1-CG 3.66Å; Y162-W173 AromaticContact CE1-NE1 3.92Å; Y162-W173 HydrophobicContact CG-CE3 4.48Å; W173-P175 HydrophobicContact CZ2-CB 4.22Å
174	S	98	Very high	97.3	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	91.7	176.1	-176.8	0	0	0	0	110	A86 I88 G122 K123 H176 T177	A86-S174 WeakPolarHBondContact CB-OG 3.41Å; I88-S174 VanDerWaalsContact CD1-CB 3.46Å; I88-S174 WeakPolarHBondContact CD1-OG 3.4Å; G122-S174 CarbonylContact C-O 3.33Å; G122-S174 WeakPolarHBondContact CA-O 3.01Å; K123-S174 PolarHBondContact N-O 2.96Å; K123-S174 PolarHBondContact O-N 3.07Å; S174-H176 VanDerWaalsContact C-N 3.29Å; S174-H176 PolarHBondContact O-N 3.18Å; S174-T177 PolarHBondContact O-N 2.85Å; S174-T177 PolarHBondContact OG-OG1 2.67Å; S174-T177 VanDerWaalsContact OG-OG1 3.1Å
175	P	97.8	Very high	97.4	Very high	33 Å²	33	35.8 Å²	35.8	21%	0.214	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.8	-171.2	22.2	-30.5	0	0	0	113.6	D150 W173 T177	D150-P175 HydrophobicContact CB-CG 3.69Å; D150-P175 VanDerWaalsContact O-CD 3.25Å; D150-P175 WeakPolarHBondContact O-CD 3.01Å; D150-P175 WeakPolarHBondContact O-CG 3.33Å; W173-P175 HydrophobicContact CZ2-CB 4.22Å; P175-T177 VanDerWaalsContact C-N 3.35Å
176	H	97.9	Very high	97.6	Very high	46 Å²	46	28.5 Å²	28.5	21%	0.213	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-1.6	-175.8	-65.4	-80	0	0	0	114.3	L104 Y108 P149 D150 S174	L104-H176 HydrophobicContact CD2-CB 4.06Å; Y108-H176 PolarHBondContact OH-O 3.1Å; P149-H176 HydrophobicContact CG-CB 3.99Å; P149-H176 VanDerWaalsContact CG-CD2 3.49Å; P149-H176 WeakPolarHBondContact CG-CD2 3.42Å; D150-H176 IonicContact OD2-CD2 3.42Å; D150-H176 IonicContact OD2-CE1 3.59Å; D150-H176 IonicContact OD2-NE2 3.69Å; D150-H176 PolarHBondContact OD2-NE2 2.81Å; S174-H176 VanDerWaalsContact C-N 3.29Å; S174-H176 PolarHBondContact O-N 3.18Å
177	T	98.1	Very high	97.6	Very high	7 Å²	7	32.7 Å²	32.7	4%	0.043	17%	0.165	C	C	.	.			trans	-65.7	136.9	168.8	-62.9	0	0	0	0	109	V83 I84 G122 K123 S174 P175	V83-T177 HydrophobicContact CG1-CG2 3.96Å; I84-T177 WeakPolarHBondContact O-CA 3.38Å; I84-T177 WeakPolarHBondContact O-CG2 3.24Å; G122-T177 WeakPolarHBondContact CA-O 3.18Å; G122-T177 PolarHBondContact N-O 2.81Å; K123-T177 HydrophobicContact CB-CG2 3.63Å; K123-T177 HydrophobicContact CD-CG2 4.22Å; S174-T177 PolarHBondContact O-N 2.85Å; S174-T177 PolarHBondContact OG-OG1 2.67Å; S174-T177 VanDerWaalsContact OG-OG1 3.1Å; P175-T177 VanDerWaalsContact C-N 3.35Å
178	G	98.1	Very high	97.8	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	-177.7	-178.7	0	0	0	0	0	112.8	V83 I84 Y108 K119	V83-G178 CarbonylContact C-O 3.41Å; V83-G178 WeakPolarHBondContact CA-O 3.22Å; I84-G178 PolarHBondContact N-O 2.98Å; I84-G178 PolarHBondContact O-N 3.1Å; I84-G178 VanDerWaalsContact O-N 3.15Å; Y108-G178 WeakPolarHBondContact OH-CA 3.48Å; Y108-G178 PolarHBondContact OH-N 3.18Å; K119-G178 CarbonylContact O-C 3.31Å; K119-G178 WeakPolarHBondContact O-CA 3.15Å
179	I	98.1	Very high	97.9	Very high	8 Å²	8	27 Å²	27	4%	0.041	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	143.9	176.3	59	165.8	0	0	0	110.4	G82 Y118 K119 S248 M250	G82-I179 CarbonylContact O-C 3.58Å; G82-I179 VanDerWaalsContact O-CA 3.31Å; G82-I179 WeakPolarHBondContact O-CA 3.49Å; Y118-I179 WeakPolarHBondContact CA-O 3.32Å; Y118-I179 WeakPolarHBondContact CB-O 3.11Å; K119-I179 HydrophobicContact CB-CD1 4.31Å; K119-I179 HydrophobicContact CB-CG1 3.83Å; K119-I179 HydrophobicContact CD-CD1 4.33Å; K119-I179 PolarHBondContact N-O 2.77Å; K119-I179 PolarHBondContact O-N 2.77Å; I179-S248 VanDerWaalsContact CG2-O 3.23Å; I179-S248 WeakPolarHBondContact CG2-O 3.22Å; I179-M250 HydrophobicContact CD1-SD 4.1Å; I179-M250 HydrophobicContact CG1-SD 3.97Å
180	V	98.2	Very high	97.9	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.036	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	160.4	-178.7	66	0	0	0	0	110	G82 I84 L111 W182 V185	G82-V180 CarbonylContact C-O 3.58Å; G82-V180 WeakPolarHBondContact CA-O 3.13Å; G82-V180 PolarHBondContact O-N 2.89Å; I84-V180 HydrophobicContact CD1-CB 4.06Å; I84-V180 HydrophobicContact CD1-CG1 3.98Å; I84-V180 HydrophobicContact CG1-CB 4.21Å; I84-V180 HydrophobicContact CG1-CG1 3.66Å; L111-V180 HydrophobicContact CD1-CG2 4.29Å; L111-V180 HydrophobicContact CD2-CG2 3.89Å; V180-W182 HydrophobicContact CG1-CD2 3.56Å; V180-W182 VanDerWaalsContact CG1-CE2 3.41Å; V180-W182 HydrophobicContact CG1-CE3 3.84Å; V180-W182 HydrophobicContact CG1-CG 4.14Å; V180-W182 HydrophobicContact CG1-CH2 3.92Å; V180-W182 HydrophobicContact CG1-CZ2 3.62Å; V180-W182 HydrophobicContact CG1-CZ3 4.02Å; V180-W182 PolarHBondContact O-N 2.91Å; V180-V185 HydrophobicContact CG2-CG2 3.65Å
181	D	97.1	Very high	97.9	Very high	64 Å²	64	26 Å²	26	34%	0.342	13%	0.13	S	C	.	.			trans	-87.1	101.8	165	-171.8	-19.3	0	0	0	110.4	A183 V184 V185	D181-A183 PolarHBondContact O-N 3.48Å; D181-A183 WeakPolarHBondContact OD1-CA 3.23Å; D181-A183 WeakPolarHBondContact OD1-CB 3.44Å; D181-A183 PolarHBondContact OD1-N 3.37Å; D181-V184 HydrophobicContact CB-CB 4.14Å; D181-V184 HydrophobicContact CB-CG2 3.9Å; D181-V184 WeakPolarHBondContact O-CB 3.21Å; D181-V184 PolarHBondContact O-N 2.86Å; D181-V184 VanDerWaalsContact O-N 3.13Å; D181-V184 PolarHBondContact OD1-N 3.31Å; D181-V185 WeakPolarHBondContact O-CG2 3.23Å; D181-V185 PolarHBondContact O-N 3.16Å; D181-V185 VanDerWaalsContact O-N 3.11Å
182	W	97.7	Very high	97.9	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-66	-19.5	178.6	-67.2	115	0	0	0	113.8	I45 S77 G82 V83 I84 V107 V180 V185 T186 A374	I45-W182 HydrophobicContact CD1-CB 4.46Å; I45-W182 HydrophobicContact CD1-CD2 4.08Å; I45-W182 HydrophobicContact CD1-CE3 3.31Å; I45-W182 HydrophobicContact CD1-CZ3 3.87Å; S77-W182 CarbonylContact O-C 3.44Å; S77-W182 WeakPolarHBondContact O-CB 3.47Å; G82-W182 PolarHBondContact O-NE1 3.09Å; V83-W182 WeakPolarHBondContact O-CZ2 3.44Å; V83-W182 PolarHBondContact O-NE1 3.42Å; I84-W182 HydrophobicContact CB-CZ2 4.35Å; I84-W182 HydrophobicContact CG1-CH2 4.12Å; I84-W182 HydrophobicContact CG1-CZ2 3.8Å; V107-W182 HydrophobicContact CG1-CH2 3.79Å; V107-W182 HydrophobicContact CG1-CZ3 4.04Å; V107-W182 HydrophobicContact CG2-CH2 4.09Å; V107-W182 HydrophobicContact CG2-CZ3 4.22Å; V180-W182 HydrophobicContact CG1-CD2 3.56Å; V180-W182 VanDerWaalsContact CG1-CE2 3.41Å; V180-W182 HydrophobicContact CG1-CE3 3.84Å; V180-W182 HydrophobicContact CG1-CG 4.14Å; V180-W182 HydrophobicContact CG1-CH2 3.92Å; V180-W182 HydrophobicContact CG1-CZ2 3.62Å; V180-W182 HydrophobicContact CG1-CZ3 4.02Å; V180-W182 PolarHBondContact O-N 2.91Å; W182-V185 HydrophobicContact CE3-CB 4.07Å; W182-V185 HydrophobicContact CE3-CG1 4.16Å; W182-V185 HydrophobicContact CE3-CG2 4.06Å; W182-V185 HydrophobicContact CZ3-CG1 4.31Å; W182-V185 HydrophobicContact CZ3-CG2 4.47Å; W182-T186 WeakPolarHBondContact O-CB 3.47Å; W182-T186 PolarHBondContact O-N 3.42Å; W182-T186 PolarHBondContact O-OG1 3.23Å; W182-A374 HydrophobicContact CD2-CB 3.72Å; W182-A374 HydrophobicContact CE3-CB 4.21Å; W182-A374 HydrophobicContact CG-CB 3.97Å; W182-A374 HydrophobicContact CZ2-CB 4.15Å; W182-A374 WeakPolarHBondContact CZ3-O 3.41Å
183	A	95.1	Very high	97.9	Very high	13 Å²	13	26.2 Å²	26.2	11%	0.107	13%	0.131	C	C	.	.	H	α-helix	trans	-67.9	-43.8	171.7	0	0	0	0	0	110.4	A73 S77 D181 T186 K187	A73-A183 HydrophobicContact CB-CB 4.33Å; S77-A183 PolarHBondContact O-N 2.76Å; D181-A183 PolarHBondContact O-N 3.48Å; D181-A183 WeakPolarHBondContact OD1-CA 3.23Å; D181-A183 WeakPolarHBondContact OD1-CB 3.44Å; D181-A183 PolarHBondContact OD1-N 3.37Å; A183-T186 PolarHBondContact O-N 3.06Å; A183-K187 WeakPolarHBondContact O-CB 3.11Å; A183-K187 WeakPolarHBondContact O-CG 3.39Å; A183-K187 PolarHBondContact O-N 3.15Å
184	V	97.2	Very high	97.8	Very high	59 Å²	59	27 Å²	27	36%	0.358	14%	0.138	S	C	.	.	H	α-helix	trans	-62	-46.1	175	174	0	0	0	0	110.6	L116 D181 T186 K187 Q188	L116-V184 HydrophobicContact CD2-CG1 3.99Å; D181-V184 HydrophobicContact CB-CB 4.14Å; D181-V184 HydrophobicContact CB-CG2 3.9Å; D181-V184 WeakPolarHBondContact O-CB 3.21Å; D181-V184 PolarHBondContact O-N 2.86Å; D181-V184 VanDerWaalsContact O-N 3.13Å; D181-V184 PolarHBondContact OD1-N 3.31Å; V184-T186 VanDerWaalsContact C-N 3.35Å; V184-T186 PolarHBondContact O-N 3.38Å; V184-K187 PolarHBondContact O-N 2.59Å; V184-Q188 PolarHBondContact O-N 3.26Å
185	V	98.6	Very high	97.8	Very high	3 Å²	3	32.5 Å²	32.5	2%	0.018	16%	0.164	C	C	.	.	H	α-helix	trans	-60.1	-45	176.7	-179.7	0	0	0	0	111.2	I45 Y110 L111 L116 V180 D181 W182 K187 Q188 L189	I45-V185 HydrophobicContact CD1-CG1 4.24Å; Y110-V185 HydrophobicContact CE1-CG1 4.22Å; L111-V185 HydrophobicContact CD2-CG2 3.67Å; L116-V185 HydrophobicContact CD1-CG2 4.2Å; V180-V185 HydrophobicContact CG2-CG2 3.65Å; D181-V185 WeakPolarHBondContact O-CG2 3.23Å; D181-V185 PolarHBondContact O-N 3.16Å; D181-V185 VanDerWaalsContact O-N 3.11Å; W182-V185 HydrophobicContact CE3-CB 4.07Å; W182-V185 HydrophobicContact CE3-CG1 4.16Å; W182-V185 HydrophobicContact CE3-CG2 4.06Å; W182-V185 HydrophobicContact CZ3-CG1 4.31Å; W182-V185 HydrophobicContact CZ3-CG2 4.47Å; V185-K187 PolarHBondContact O-N 2.89Å; V185-Q188 PolarHBondContact O-N 3.46Å; V185-L189 HydrophobicContact CG1-CD1 4.08Å; V185-L189 HydrophobicContact CG1-CG 4.45Å; V185-L189 VanDerWaalsContact O-CG 3.31Å; V185-L189 WeakPolarHBondContact O-CG 3.38Å; V185-L189 PolarHBondContact O-N 3.29Å
186	T	98.4	Very high	97.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.2	-43.3	178.9	-55	0	0	0	0	111.6	I45 C48 A73 W182 A183 V184 Q188 L189 S190	I45-T186 HydrophobicContact CB-CG2 4.45Å; I45-T186 VanDerWaalsContact CB-OG1 3.28Å; I45-T186 WeakPolarHBondContact CB-OG1 3.36Å; C48-T186 HydrophobicContact CB-CG2 4.2Å; A73-T186 HydrophobicContact CB-CG2 3.67Å; W182-T186 WeakPolarHBondContact O-CB 3.47Å; W182-T186 PolarHBondContact O-N 3.42Å; W182-T186 PolarHBondContact O-OG1 3.23Å; A183-T186 PolarHBondContact O-N 3.06Å; V184-T186 VanDerWaalsContact C-N 3.35Å; V184-T186 PolarHBondContact O-N 3.38Å; T186-Q188 VanDerWaalsContact C-N 3.35Å; T186-Q188 PolarHBondContact O-N 3.11Å; T186-L189 PolarHBondContact O-N 3.25Å; T186-S190 PolarHBondContact O-N 3.03Å
187	K	97.6	Very high	97.5	Very high	100 Å²	100	34.5 Å²	34.5	44%	0.435	19%	0.194	S	C	.	.	H	α-helix	trans	-61.6	-42.5	174.9	-73.3	175.4	179.9	-173.1	0	111.3	V72 A183 V184 V185 S190 K191	V72-K187 HydrophobicContact CG2-CG 3.87Å; A183-K187 WeakPolarHBondContact O-CB 3.11Å; A183-K187 WeakPolarHBondContact O-CG 3.39Å; A183-K187 PolarHBondContact O-N 3.15Å; V184-K187 PolarHBondContact O-N 2.59Å; V185-K187 PolarHBondContact O-N 2.89Å; K187-S190 PolarHBondContact O-N 3.36Å; K187-S190 PolarHBondContact O-OG 3.33Å; K187-K191 PolarHBondContact O-N 3.12Å
188	Q	98.5	Very high	97.4	Very high	34 Å²	34	34.6 Å²	34.6	16%	0.159	20%	0.196	C	C	.	.	H	α-helix	trans	-65	-41.1	176.2	-174.7	56.5	58.3	0	0	112.4	Y110 K114 L116 V184 V185 T186 S190 K191 D192	Y110-Q188 WeakPolarHBondContact OH-CG 2.99Å; K114-Q188 HydrophobicContact CB-CG 4.26Å; K114-Q188 HydrophobicContact CD-CG 4.19Å; K114-Q188 HydrophobicContact CG-CG 4.18Å; L116-Q188 HydrophobicContact CD1-CB 3.91Å; L116-Q188 HydrophobicContact CD1-CG 4.02Å; L116-Q188 HydrophobicContact CD2-CB 4.42Å; L116-Q188 HydrophobicContact CD2-CG 4.39Å; V184-Q188 PolarHBondContact O-N 3.26Å; V185-Q188 PolarHBondContact O-N 3.46Å; T186-Q188 VanDerWaalsContact C-N 3.35Å; T186-Q188 PolarHBondContact O-N 3.11Å; Q188-S190 VanDerWaalsContact C-N 3.28Å; Q188-S190 PolarHBondContact O-N 2.87Å; Q188-K191 WeakPolarHBondContact O-CB 3.24Å; Q188-K191 PolarHBondContact O-N 3.04Å; Q188-K191 VanDerWaalsContact O-N 3.11Å; Q188-D192 PolarHBondContact NE2-OD1 3.19Å; Q188-D192 PolarHBondContact O-N 3.07Å
189	L	98.7	Very high	97.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.3	-38.5	173.6	-69.7	166.1	0	0	0	112	I45 C48 A49 R52 Y110 V185 T186 K191 D192 L193 L378	I45-L189 HydrophobicContact CG1-CD1 3.93Å; C48-L189 HydrophobicContact CB-CB 3.97Å; A49-L189 HydrophobicContact CB-CD1 4.07Å; R52-L189 VanDerWaalsContact CD-CD2 3.43Å; Y110-L189 HydrophobicContact CE1-CD2 3.94Å; Y110-L189 HydrophobicContact CE1-CG 4.22Å; Y110-L189 HydrophobicContact CE2-CD2 4.03Å; Y110-L189 WeakPolarHBondContact OH-CD2 3.47Å; Y110-L189 PolarHBondContact OH-N 3.15Å; V185-L189 HydrophobicContact CG1-CD1 4.08Å; V185-L189 HydrophobicContact CG1-CG 4.45Å; V185-L189 VanDerWaalsContact O-CG 3.31Å; V185-L189 WeakPolarHBondContact O-CG 3.38Å; V185-L189 PolarHBondContact O-N 3.29Å; T186-L189 PolarHBondContact O-N 3.25Å; L189-K191 VanDerWaalsContact C-N 3.33Å; L189-D192 PolarHBondContact O-N 3.3Å; L189-L193 PolarHBondContact O-N 3.39Å; L189-L378 HydrophobicContact CD2-CD2 3.9Å
190	S	97.8	Very high	97.1	Very high	17 Å²	17	38.2 Å²	38.2	12%	0.119	21%	0.214	C	C	.	.	H	α-helix	trans	-66.5	-34.9	175	81	0	0	0	0	112.6	T186 K187 Q188 L193 I194	T186-S190 PolarHBondContact O-N 3.03Å; K187-S190 PolarHBondContact O-N 3.36Å; K187-S190 PolarHBondContact O-OG 3.33Å; Q188-S190 VanDerWaalsContact C-N 3.28Å; Q188-S190 PolarHBondContact O-N 2.87Å; S190-L193 WeakPolarHBondContact O-CB 3.02Å; S190-L193 PolarHBondContact O-N 2.93Å; S190-I194 WeakPolarHBondContact O-CG1 3.42Å; S190-I194 PolarHBondContact O-N 2.62Å
191	K	97.9	Very high	96.7	Very high	106 Å²	106	38 Å²	38	46%	0.461	21%	0.212	S	C	.	.	H	α-helix	trans	-67.5	-42	173.6	179.4	174.9	170.7	179.1	0	111.6	K187 Q188 L189 L193 I194 E195	K187-K191 PolarHBondContact O-N 3.12Å; Q188-K191 WeakPolarHBondContact O-CB 3.24Å; Q188-K191 PolarHBondContact O-N 3.04Å; Q188-K191 VanDerWaalsContact O-N 3.11Å; L189-K191 VanDerWaalsContact C-N 3.33Å; K191-L193 VanDerWaalsContact C-N 3.26Å; K191-L193 PolarHBondContact O-N 3.26Å; K191-I194 PolarHBondContact O-N 2.76Å; K191-I194 VanDerWaalsContact O-N 3.11Å; K191-E195 WeakPolarHBondContact CE-OE1 3.39Å; K191-E195 HydrophobicContact CG-CG 4.36Å; K191-E195 IonicContact NZ-OE1 2.88Å; K191-E195 WeakPolarHBondContact O-CG 3.22Å; K191-E195 PolarHBondContact O-N 3.27Å
192	D	98.4	Very high	96.3	Very high	4 Å²	4	35.1 Å²	35.1	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-58.5	-39.1	175.5	-66.2	-1.1	0	0	0	112	R52 Y110 K114 Q188 L189 S196	R52-D192 HydrophobicContact CG-CB 3.94Å; R52-D192 IonicContact CZ-OD2 2.62Å; R52-D192 IonicContact NE-OD2 3.61Å; R52-D192 PolarHBondContact NE-OD2 3.45Å; Y110-D192 VanDerWaalsContact CE2-OD2 3.22Å; Y110-D192 WeakPolarHBondContact CE2-OD2 3.43Å; Y110-D192 PolarHBondContact OH-OD2 2.85Å; K114-D192 WeakPolarHBondContact CE-OD1 3.42Å; K114-D192 VanDerWaalsContact CE-OD2 3.32Å; K114-D192 WeakPolarHBondContact CE-OD2 3.34Å; K114-D192 VanDerWaalsContact NZ-CG 3.32Å; K114-D192 IonicContact NZ-OD1 3.99Å; K114-D192 PolarHBondContact NZ-OD1 3.47Å; K114-D192 IonicContact NZ-OD2 2.67Å; Q188-D192 PolarHBondContact NE2-OD1 3.19Å; Q188-D192 PolarHBondContact O-N 3.07Å; L189-D192 PolarHBondContact O-N 3.3Å; D192-S196 WeakPolarHBondContact O-CB 3.25Å; D192-S196 PolarHBondContact O-N 2.74Å; D192-S196 VanDerWaalsContact O-N 3.07Å; D192-S196 PolarHBondContact O-OG 3.06Å
193	L	98.2	Very high	95.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-61.7	-47.2	173.8	172.6	65.8	0	0	0	111.6	A51 A55 V63 V65 L189 S190 K191 S196 G197 G198 V200	A51-L193 HydrophobicContact CB-CD1 4.15Å; A51-L193 HydrophobicContact CB-CD2 3.75Å; A55-L193 HydrophobicContact CB-CD1 3.82Å; V63-L193 HydrophobicContact CB-CD1 4.14Å; V63-L193 HydrophobicContact CG1-CD1 4Å; V65-L193 HydrophobicContact CB-CD2 4.34Å; V65-L193 HydrophobicContact CG2-CD2 3.58Å; L189-L193 PolarHBondContact O-N 3.39Å; S190-L193 WeakPolarHBondContact O-CB 3.02Å; S190-L193 PolarHBondContact O-N 2.93Å; K191-L193 VanDerWaalsContact C-N 3.26Å; K191-L193 PolarHBondContact O-N 3.26Å; L193-S196 CarbonylContact O-C 3.58Å; L193-S196 WeakPolarHBondContact O-CB 3.25Å; L193-S196 PolarHBondContact O-N 3.48Å; L193-S196 VanDerWaalsContact O-N 3.13Å; L193-G197 PolarHBondContact O-N 3.02Å; L193-G198 WeakPolarHBondContact O-CA 3.37Å; L193-G198 PolarHBondContact O-N 3.5Å; L193-V200 HydrophobicContact CD2-CG2 4.01Å
194	I	96.9	Very high	95	Very high	63 Å²	63	37.8 Å²	37.8	32%	0.323	21%	0.21	S	C	.	.	H	α-helix	trans	-63.1	-44.2	179.4	-66.3	167	0	0	0	110.6	S190 K191 S196 G197 V200	S190-I194 WeakPolarHBondContact O-CG1 3.42Å; S190-I194 PolarHBondContact O-N 2.62Å; K191-I194 PolarHBondContact O-N 2.76Å; K191-I194 VanDerWaalsContact O-N 3.11Å; I194-S196 PolarHBondContact O-N 3.38Å; I194-G197 PolarHBondContact O-N 3.12Å; I194-V200 HydrophobicContact CD1-CB 4.46Å; I194-V200 HydrophobicContact CD1-CG2 4.1Å; I194-V200 HydrophobicContact CG1-CG2 4.08Å
195	E	96.9	Very high	94.4	Very high	117 Å²	117	35.6 Å²	35.6	55%	0.547	20%	0.197	S	C	.	.	H	α-helix	trans	-59.9	-28.4	175.1	-72.3	173.1	174	0	0	112.2	K114 K191 G197	K114-E195 IonicContact NZ-OE2 3.93Å; K191-E195 WeakPolarHBondContact CE-OE1 3.39Å; K191-E195 HydrophobicContact CG-CG 4.36Å; K191-E195 IonicContact NZ-OE1 2.88Å; K191-E195 WeakPolarHBondContact O-CG 3.22Å; K191-E195 PolarHBondContact O-N 3.27Å; E195-G197 VanDerWaalsContact C-N 3.27Å; E195-G197 PolarHBondContact O-N 3.34Å
196	S	96	Very high	93.9	Very high	56 Å²	56	36.3 Å²	36.3	39%	0.392	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	8.5	175.1	-51.5	0	0	0	0	113.5	D192 L193 I194	D192-S196 WeakPolarHBondContact O-CB 3.25Å; D192-S196 PolarHBondContact O-N 2.74Å; D192-S196 VanDerWaalsContact O-N 3.07Å; D192-S196 PolarHBondContact O-OG 3.06Å; L193-S196 CarbonylContact O-C 3.58Å; L193-S196 WeakPolarHBondContact O-CB 3.25Å; L193-S196 PolarHBondContact O-N 3.48Å; L193-S196 VanDerWaalsContact O-N 3.13Å; I194-S196 PolarHBondContact O-N 3.38Å
197	G	94.3	Very high	93	Very high	65 Å²	65	39.1 Å²	39.1	67%	0.67	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	4.7	-179.7	0	0	0	0	0	115.3	L193 I194 E195	L193-G197 PolarHBondContact O-N 3.02Å; I194-G197 PolarHBondContact O-N 3.12Å; E195-G197 VanDerWaalsContact C-N 3.27Å; E195-G197 PolarHBondContact O-N 3.34Å
198	G	96.1	Very high	92.4	Very high	8 Å²	8	38.5 Å²	38.5	8%	0.082	21%	0.214	C	C	.	.			trans	-76.6	174.3	172.7	0	0	0	0	0	113.1	V63 L193	V63-G198 CarbonylContact O-C 3.4Å; V63-G198 VanDerWaalsContact O-CA 3.24Å; V63-G198 WeakPolarHBondContact O-CA 3.44Å; L193-G198 WeakPolarHBondContact O-CA 3.37Å; L193-G198 PolarHBondContact O-N 3.5Å
199	Q	95.1	Very high	91.9	Very high	75 Å²	75	39.9 Å²	39.9	35%	0.35	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	145.4	-179.6	-63.9	-173.1	29.5	0	0	112.6	F36 V63 A64 V65	F36-Q199 HydrophobicContact CE1-CB 4.02Å; F36-Q199 HydrophobicContact CE1-CG 3.96Å; F36-Q199 HydrophobicContact CZ-CB 4.09Å; F36-Q199 HydrophobicContact CZ-CG 4.24Å; V63-Q199 PolarHBondContact O-N 2.76Å; A64-Q199 CarbonylContact C-O 3.58Å; A64-Q199 VanDerWaalsContact CA-O 3.25Å; A64-Q199 WeakPolarHBondContact CA-O 3.02Å; A64-Q199 HydrophobicContact CB-CB 4.4Å; V65-Q199 PolarHBondContact N-O 2.89Å
200	V	94	Very high	91.2	Very high	9 Å²	9	43.5 Å²	43.5	6%	0.055	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	114.8	169.4	-179	0	0	0	0	107.7	V16 V72 L193 I194 T202	V16-V200 HydrophobicContact CG2-CG1 4.17Å; V72-V200 HydrophobicContact CG1-CG1 3.77Å; L193-V200 HydrophobicContact CD2-CG2 4.01Å; I194-V200 HydrophobicContact CD1-CB 4.46Å; I194-V200 HydrophobicContact CD1-CG2 4.1Å; I194-V200 HydrophobicContact CG1-CG2 4.08Å; V200-T202 HydrophobicContact CG1-CG2 4.45Å
201	I	90.9	Very high	90.5	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	114	-178	-66.1	165.5	0	0	0	107.9	V13 F36 A64 V65 V66 E67 F204	V13-I201 HydrophobicContact CB-CG2 4.44Å; V13-I201 HydrophobicContact CG1-CG1 4.3Å; V13-I201 HydrophobicContact CG1-CG2 3.65Å; V13-I201 HydrophobicContact CG2-CG2 4.24Å; F36-I201 HydrophobicContact CE2-CD1 3.8Å; F36-I201 HydrophobicContact CZ-CD1 3.98Å; A64-I201 HydrophobicContact CB-CD1 4.5Å; V65-I201 PolarHBondContact O-N 3.26Å; V66-I201 CarbonylContact C-O 3.51Å; V66-I201 WeakPolarHBondContact CA-O 3.5Å; V66-I201 HydrophobicContact CG1-CB 3.97Å; V66-I201 HydrophobicContact CG1-CD1 4.21Å; V66-I201 HydrophobicContact CG1-CG2 4.26Å; E67-I201 PolarHBondContact N-O 2.71Å; I201-F204 HydrophobicContact CG2-CB 3.89Å; I201-F204 HydrophobicContact CG2-CG 4.36Å
202	T	87	Confident	89.2	Confident	5 Å²	5	42 Å²	42	3%	0.031	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	171.3	177.4	54.4	0	0	0	0	111.1	K14 V16 E67 E69 D70 V200 F204	K14-T202 PolarHBondContact O-N 2.94Å; K14-T202 PolarHBondContact O-OG1 3.14Å; V16-T202 HydrophobicContact CG2-CG2 3.35Å; V16-T202 WeakPolarHBondContact CG2-OG1 3.34Å; E67-T202 HydrophobicContact CB-CG2 4.26Å; E67-T202 HydrophobicContact CG-CG2 4.46Å; E67-T202 CarbonylContact O-C 3.51Å; E67-T202 VanDerWaalsContact O-C 3.31Å; E67-T202 WeakPolarHBondContact O-CA 3.37Å; E69-T202 WeakPolarHBondContact O-CB 3.48Å; D70-T202 WeakPolarHBondContact O-CB 3.43Å; D70-T202 WeakPolarHBondContact O-CG2 3.43Å; D70-T202 PolarHBondContact O-OG1 2.62Å; V200-T202 HydrophobicContact CG1-CG2 4.45Å; T202-F204 PolarHBondContact O-N 3.05Å
203	N	82.8	Confident	87.5	Confident	69 Å²	69	48.9 Å²	48.9	37%	0.369	26%	0.263	S	S	.	.	S	Bend	trans	58.4	33.2	-173.7	-52.8	-88	0	0	0	113	E67 K68 E69	E67-N203 PolarHBondContact O-N 3.41Å; K68-N203 WeakPolarHBondContact O-CA 3.38Å; E69-N203 PolarHBondContact O-N 3.29Å
204	F	84.4	Confident	85.4	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.009	31%	0.305	C	S	.	.			trans	-125.8	92.4	-178.6	-163.9	-84.9	0	0	0	110.9	F9 V13 V66 E67 K68 I201 T202 V206 L228	F9-F204 HydrophobicContact CB-CE2 4.11Å; F9-F204 HydrophobicContact CB-CZ 4.35Å; F9-F204 HydrophobicContact CD1-CD1 4.26Å; F9-F204 HydrophobicContact CD1-CD2 4.09Å; F9-F204 AromaticContact CD1-CE1 3.74Å; F9-F204 HydrophobicContact CD1-CE1 3.74Å; F9-F204 AromaticContact CD1-CE2 3.56Å; F9-F204 HydrophobicContact CD1-CE2 3.56Å; F9-F204 HydrophobicContact CD1-CG 4.42Å; F9-F204 AromaticContact CD1-CZ 3.38Å; F9-F204 HydrophobicContact CD1-CZ 3.38Å; F9-F204 HydrophobicContact CE1-CD1 4.34Å; F9-F204 AromaticContact CE1-CE1 3.96Å; F9-F204 HydrophobicContact CE1-CE1 3.96Å; F9-F204 HydrophobicContact CE1-CZ 4.08Å; F9-F204 HydrophobicContact CG-CE2 4.33Å; F9-F204 HydrophobicContact CG-CZ 4.31Å; V13-F204 HydrophobicContact CG2-CD2 3.99Å; V13-F204 HydrophobicContact CG2-CE2 4.37Å; V66-F204 HydrophobicContact CB-CB 4.29Å; V66-F204 HydrophobicContact CB-CD1 3.82Å; V66-F204 HydrophobicContact CB-CG 4.33Å; V66-F204 HydrophobicContact CG1-CD1 4.11Å; V66-F204 HydrophobicContact CG1-CG 4.47Å; V66-F204 HydrophobicContact CG2-CD1 4.09Å; E67-F204 CarbonylContact C-O 3.51Å; E67-F204 PolarHBondContact O-N 2.67Å; K68-F204 WeakPolarHBondContact CA-O 3.42Å; K68-F204 PolarHBondContact N-O 2.83Å; I201-F204 HydrophobicContact CG2-CB 3.89Å; I201-F204 HydrophobicContact CG2-CG 4.36Å; T202-F204 PolarHBondContact O-N 3.05Å; F204-V206 HydrophobicContact CD1-CG2 3.84Å; F204-V206 HydrophobicContact CE1-CG2 3.77Å; F204-V206 PolarHBondContact O-N 2.99Å; F204-L228 HydrophobicContact CE1-CB 4.09Å; F204-L228 HydrophobicContact CZ-CB 4.31Å
205	C	84.7	Confident	83.1	Confident	13 Å²	13	56.7 Å²	56.7	9%	0.088	30%	0.3	C	S	.	.			trans	-91.8	94.3	-179.9	-170.9	0	0	0	0	110.7	K68 D207 S230 R231 V234	K68-C205 HydrophobicContact CB-CB 3.46Å; K68-C205 VanDerWaalsContact CB-CB 3.46Å; C205-D207 PolarHBondContact O-N 3.42Å; C205-D207 VanDerWaalsContact O-N 3.13Å; C205-S230 PolarHBondContact N-OG 3.12Å; C205-S230 CarbonylContact O-C 3.59Å; C205-S230 WeakPolarHBondContact O-CA 3.33Å; C205-S230 PolarHBondContact O-OG 2.82Å; C205-R231 VanDerWaalsContact CB-O 3.28Å; C205-R231 WeakPolarHBondContact CB-O 3.1Å; C205-R231 PolarHBondContact O-N 3.21Å; C205-V234 PolarHBondContact SG-N 3.42Å
206	V	86.8	Confident	80.7	Confident	19 Å²	19	54.8 Å²	54.8	12%	0.115	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.8	118	178.3	-177.3	0	0	0	0	110.7	V41 V66 F204 F209 L228 F229	V41-V206 HydrophobicContact CB-CG2 4.3Å; V41-V206 HydrophobicContact CG1-CB 3.76Å; V41-V206 HydrophobicContact CG1-CG1 4.35Å; V41-V206 HydrophobicContact CG1-CG2 3.5Å; V41-V206 VanDerWaalsContact CG1-CG2 3.5Å; V41-V206 HydrophobicContact CG2-CG1 4.49Å; V41-V206 HydrophobicContact CG2-CG2 3.86Å; V66-V206 HydrophobicContact CG2-CG2 3.59Å; F204-V206 HydrophobicContact CD1-CG2 3.84Å; F204-V206 HydrophobicContact CE1-CG2 3.77Å; F204-V206 PolarHBondContact O-N 2.99Å; V206-F209 HydrophobicContact CG1-CD1 4.46Å; V206-F209 HydrophobicContact CG1-CE1 3.79Å; V206-F209 HydrophobicContact CG1-CE2 4.32Å; V206-F209 HydrophobicContact CG1-CZ 3.7Å; V206-L228 HydrophobicContact CG1-CD2 4.44Å; V206-L228 HydrophobicContact CG1-CG 4.28Å; V206-L228 HydrophobicContact CG2-CD2 3.97Å; V206-F229 WeakPolarHBondContact CA-O 3.39Å
207	D	80.7	Confident	78.3	Confident	59 Å²	59	57.7 Å²	57.7	32%	0.316	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-52.1	-179.7	-174.6	33.2	0	0	0	112.2	C205 F229 R231	C205-D207 PolarHBondContact O-N 3.42Å; C205-D207 VanDerWaalsContact O-N 3.13Å; D207-F229 PolarHBondContact N-O 2.95Å; D207-R231 HydrophobicContact CB-CB 3.81Å; D207-R231 HydrophobicContact CB-CG 3.6Å; D207-R231 VanDerWaalsContact CG-CG 3.49Å; D207-R231 WeakPolarHBondContact OD1-CD 3.47Å; D207-R231 IonicContact OD1-CZ 2.85Å; D207-R231 IonicContact OD1-NE 2.82Å; D207-R231 PolarHBondContact OD1-NE 3.28Å; D207-R231 IonicContact OD1-NH1 3.19Å; D207-R231 PolarHBondContact OD1-NH1 2.77Å; D207-R231 IonicContact OD1-NH2 2.74Å; D207-R231 IonicContact OD2-NH1 2.8Å
208	K	84.2	Confident	76	Confident	87 Å²	87	57.7 Å²	57.7	38%	0.378	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	156.1	-174.2	63.9	171.4	-177	172.4	0	111.2	E210 F229	K208-E210 HydrophobicContact CD-CG 4.31Å; K208-E210 VanDerWaalsContact CE-OE1 3.27Å; K208-E210 WeakPolarHBondContact CE-OE1 3.04Å; K208-E210 IonicContact NZ-OE1 2.78Å; K208-E210 PolarHBondContact NZ-OE1 3.47Å; K208-F229 HydrophobicContact CD-CB 4.44Å; K208-F229 HydrophobicContact CD-CD2 4.2Å; K208-F229 HydrophobicContact CD-CG 4.37Å; K208-F229 VanDerWaalsContact CE-CG 3.49Å; K208-F229 HydrophobicContact CG-CB 3.7Å; K208-F229 HydrophobicContact CG-CD2 3.77Å; K208-F229 HydrophobicContact CG-CG 3.98Å; K208-F229 PolarHBondContact O-N 3.15Å; K208-F229 VanDerWaalsContact O-N 3.14Å
209	F	87.1	Confident	73.4	Confident	63 Å²	63	67.6 Å²	67.6	28%	0.276	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	132.4	172.1	-53.7	-83.3	0	0	0	108.3	V41 V206 L226 S227 L228 L359 I363	V41-F209 HydrophobicContact CG2-CE1 4.29Å; V41-F209 HydrophobicContact CG2-CZ 4.4Å; V206-F209 HydrophobicContact CG1-CD1 4.46Å; V206-F209 HydrophobicContact CG1-CE1 3.79Å; V206-F209 HydrophobicContact CG1-CE2 4.32Å; V206-F209 HydrophobicContact CG1-CZ 3.7Å; F209-L226 HydrophobicContact CB-CD1 3.86Å; F209-L226 HydrophobicContact CB-CG 4.47Å; F209-L226 HydrophobicContact CD1-CD2 3.97Å; F209-L226 HydrophobicContact CD1-CG 4.38Å; F209-S227 WeakPolarHBondContact CA-O 3.31Å; F209-L228 HydrophobicContact CD1-CD1 3.78Å; F209-L228 HydrophobicContact CD1-CG 3.88Å; F209-L228 HydrophobicContact CE1-CD1 4.08Å; F209-L228 HydrophobicContact CE1-CD2 4.28Å; F209-L228 HydrophobicContact CE1-CG 3.87Å; F209-L359 HydrophobicContact CB-CD1 4.03Å; F209-I363 HydrophobicContact CB-CD1 4.04Å; F209-I363 HydrophobicContact CD1-CD1 4.1Å; F209-I363 HydrophobicContact CD2-CD1 3.87Å; F209-I363 HydrophobicContact CE2-CD1 4.35Å; F209-I363 HydrophobicContact CG-CD1 3.74Å
210	E	84.8	Confident	71	Confident	76 Å²	76	66.7 Å²	66.7	36%	0.355	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	141.3	172.4	-59.8	-178.5	164.8	0	0	110.7	K208 S227 F229	K208-E210 HydrophobicContact CD-CG 4.31Å; K208-E210 VanDerWaalsContact CE-OE1 3.27Å; K208-E210 WeakPolarHBondContact CE-OE1 3.04Å; K208-E210 IonicContact NZ-OE1 2.78Å; K208-E210 PolarHBondContact NZ-OE1 3.47Å; E210-S227 PolarHBondContact N-O 3.27Å; E210-S227 VanDerWaalsContact N-O 3.07Å; E210-S227 PolarHBondContact O-N 2.65Å; E210-F229 HydrophobicContact CB-CE2 3.83Å; E210-F229 HydrophobicContact CG-CD2 4.22Å; E210-F229 HydrophobicContact CG-CE2 3.63Å; E210-F229 HydrophobicContact CG-CZ 4.41Å; E210-F229 VanDerWaalsContact OE2-CE2 3.23Å; E210-F229 WeakPolarHBondContact OE2-CE2 3.1Å; E210-F229 WeakPolarHBondContact OE2-CZ 3.49Å
211	L	82.4	Confident	68.6	Low	60 Å²	60	71.4 Å²	71.4	31%	0.314	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.8	165.6	-67	176.7	0	0	0	108.8	E213 L226 D358 L359	L211-E213 PolarHBondContact O-N 3.14Å; L211-L226 HydrophobicContact CD2-CD1 4.41Å; L211-D358 HydrophobicContact CD1-CB 4.01Å; L211-L359 HydrophobicContact CD1-CB 4.07Å; L211-L359 HydrophobicContact CD2-CD1 4.01Å; L211-L359 HydrophobicContact CG-CB 4.16Å; L211-L359 HydrophobicContact CG-CD1 3.93Å
212	N	71.5	Confident	66.3	Low	31 Å²	31	76.8 Å²	76.8	17%	0.166	41%	0.409	C	S	.	.			trans	-84.8	99.4	170.4	-46.9	-80.1	0	0	0	110.2	Q214 L215 P225 S227	N212-Q214 PolarHBondContact O-N 3.36Å; N212-L215 HydrophobicContact CB-CD1 4.32Å; N212-L215 PolarHBondContact O-N 2.84Å; N212-P225 HydrophobicContact CB-CB 3.98Å; N212-P225 HydrophobicContact CB-CG 4.46Å; N212-P225 PolarHBondContact N-O 2.83Å; N212-P225 PolarHBondContact ND2-O 2.84Å; N212-P225 WeakPolarHBondContact O-CG 3.49Å; N212-S227 VanDerWaalsContact CG-OG 3.26Å; N212-S227 PolarHBondContact ND2-OG 3.12Å; N212-S227 PolarHBondContact OD1-OG 3.35Å
213	E	63.4	Low	64.6	Low	148 Å²	148	77.3 Å²	77.3	69%	0.692	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-64.7	-26.4	-180	-64.1	-177.7	175.1	0	0	113.4	L211 L215 S216	L211-E213 PolarHBondContact O-N 3.14Å; E213-L215 PolarHBondContact O-N 2.79Å; E213-S216 VanDerWaalsContact CA-OG 3.29Å; E213-S216 WeakPolarHBondContact CA-OG 3.44Å; E213-S216 PolarHBondContact O-N 3.19Å; E213-S216 PolarHBondContact O-OG 2.92Å
214	Q	52.6	Low	63.5	Low	186 Å²	186	77.4 Å²	77.4	87%	0.869	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-63	-16.4	176.3	-64	179.1	-0.7	0	0	113.3	N212	N212-Q214 PolarHBondContact O-N 3.36Å
215	L	50.1	Low	62.9	Low	41 Å²	41	77.6 Å²	77.6	22%	0.215	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-101.2	-11.4	173.7	-72.5	164.4	0	0	0	113.1	N212 E213 S218 P225	N212-L215 HydrophobicContact CB-CD1 4.32Å; N212-L215 PolarHBondContact O-N 2.84Å; E213-L215 PolarHBondContact O-N 2.79Å; L215-S218 PolarHBondContact O-OG 3.4Å; L215-S218 VanDerWaalsContact O-OG 3.05Å; L215-P225 HydrophobicContact CB-CB 3.81Å; L215-P225 HydrophobicContact CB-CG 4.19Å; L215-P225 HydrophobicContact CD1-CB 3.74Å; L215-P225 HydrophobicContact CG-CB 4.43Å
216	S	46.3	Very low	62.8	Low	77 Å²	77	77.6 Å²	77.6	54%	0.538	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-15.4	176.1	59.2	0	0	0	0	113.2	E213	E213-S216 VanDerWaalsContact CA-OG 3.29Å; E213-S216 WeakPolarHBondContact CA-OG 3.44Å; E213-S216 PolarHBondContact O-N 3.19Å; E213-S216 PolarHBondContact O-OG 2.92Å
217	V	45.2	Very low	62.7	Low	118 Å²	118	76.7 Å²	76.7	72%	0.715	41%	0.406	S	S	*	.	S	Bend	trans	-77.6	-26.2	178.4	-177.7	0	0	0	0	112.5	K219	V217-K219 PolarHBondContact O-N 3.48Å
218	S	46.9	Very low	63	Low	64 Å²	64	74 Å²	74	45%	0.448	39%	0.392	S	S	.	.	S	Bend	trans	-67	110.8	164.2	54.2	0	0	0	0	107.7	L215 S220	L215-S218 PolarHBondContact O-OG 3.4Å; L215-S218 VanDerWaalsContact O-OG 3.05Å; S218-S220 PolarHBondContact O-N 3.47Å
219	K	41.6	Very low	63	Low	217 Å²	217	71.6 Å²	71.6	94%	0.943	38%	0.381	S	S	*	.	S	Bend	trans	-59	21.2	-178.4	-71	-177.6	175.2	178.3	0	115.6	V217	V217-K219 PolarHBondContact O-N 3.48Å
220	S	43.9	Very low	62.6	Low	56 Å²	56	70.4 Å²	70.4	39%	0.392	38%	0.381	S	S	.	.			trans	-79.3	117.6	160	62.3	0	0	0	0	107.6	S218 D222	S218-S220 PolarHBondContact O-N 3.47Å; S220-D222 PolarHBondContact O-N 3.49Å
221	S	42.3	Very low	62	Low	108 Å²	108	72 Å²	72	76%	0.755	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-3.1	161.6	44.2	0	0	0	0	115
222	D	43.6	Very low	60.5	Low	113 Å²	113	76.6 Å²	76.6	60%	0.604	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	1.3	-163	-49.7	-22.5	0	0	0	113.2	S220	S220-D222 PolarHBondContact O-N 3.49Å
223	A	51.4	Low	59	Low	16 Å²	16	80.9 Å²	80.9	13%	0.132	43%	0.427	C	S	.	.			trans	-90.1	111.4	174.8	0	0	0	0	0	110.2	P225	A223-P225 WeakPolarHBondContact O-CD 3.03Å
224	F	60	Low	57.9	Low	72 Å²	72	75.9 Å²	75.9	32%	0.316	41%	0.407	S	S	.	.			trans	-98.4	79.6	156.5	-79.8	-109.6	0	0	0	108.4	F6 L226 R362	F6-F224 VanDerWaalsContact O-O 3.14Å; F224-L226 VanDerWaalsContact C-N 3.26Å; F224-L226 PolarHBondContact O-N 2.98Å; F224-R362 HydrophobicContact CD1-CB 3.83Å; F224-R362 VanDerWaalsContact CD1-CD 3.43Å; F224-R362 HydrophobicContact CD1-CG 3.38Å; F224-R362 VanDerWaalsContact CD1-NE 3.32Å; F224-R362 HydrophobicContact CE1-CB 4.16Å; F224-R362 HydrophobicContact CE1-CG 3.56Å
225	P	71.6	Confident	57.3	Low	5 Å²	5	69.1 Å²	69.1	3%	0.032	38%	0.379	C	S	.	.			trans	-88.2	63.2	-171.5	39.3	-39.1	0	0	0	110.4	F6 N212 L215 A223	F6-P225 WeakPolarHBondContact O-CA 3.48Å; N212-P225 HydrophobicContact CB-CB 3.98Å; N212-P225 HydrophobicContact CB-CG 4.46Å; N212-P225 PolarHBondContact N-O 2.83Å; N212-P225 PolarHBondContact ND2-O 2.84Å; N212-P225 WeakPolarHBondContact O-CG 3.49Å; L215-P225 HydrophobicContact CB-CB 3.81Å; L215-P225 HydrophobicContact CB-CG 4.19Å; L215-P225 HydrophobicContact CD1-CB 3.74Å; L215-P225 HydrophobicContact CG-CB 4.43Å; A223-P225 WeakPolarHBondContact O-CD 3.03Å
226	L	82.3	Confident	56.8	Low	13 Å²	13	74.2 Å²	74.2	7%	0.068	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	121.9	177.8	-168.1	66.4	0	0	0	109.4	L7 R8 F209 L211 F224 L228 L359 I363	L7-L226 VanDerWaalsContact CA-O 3.29Å; L7-L226 WeakPolarHBondContact CA-O 3.13Å; L7-L226 HydrophobicContact CD1-CB 4.01Å; L7-L226 HydrophobicContact CD1-CD2 4.45Å; L7-L226 VanDerWaalsContact CG-O 3.27Å; L7-L226 WeakPolarHBondContact CG-O 3.07Å; R8-L226 PolarHBondContact N-O 3.05Å; F209-L226 HydrophobicContact CB-CD1 3.86Å; F209-L226 HydrophobicContact CB-CG 4.47Å; F209-L226 HydrophobicContact CD1-CD2 3.97Å; F209-L226 HydrophobicContact CD1-CG 4.38Å; L211-L226 HydrophobicContact CD2-CD1 4.41Å; F224-L226 VanDerWaalsContact C-N 3.26Å; F224-L226 PolarHBondContact O-N 2.98Å; L226-L228 HydrophobicContact CD2-CD1 3.91Å; L226-L228 HydrophobicContact CG-CD1 3.95Å; L226-L359 HydrophobicContact CD1-CD1 3.26Å; L226-I363 HydrophobicContact CD2-CD1 4.39Å; L226-I363 HydrophobicContact CD2-CG1 4.07Å
227	S	85.7	Confident	56.5	Low	0 Å²	0	73.9 Å²	73.9	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	133.3	169.3	-67.7	0	0	0	0	109.7	F209 E210 N212 F229	F209-S227 WeakPolarHBondContact CA-O 3.31Å; E210-S227 PolarHBondContact N-O 3.27Å; E210-S227 VanDerWaalsContact N-O 3.07Å; E210-S227 PolarHBondContact O-N 2.65Å; N212-S227 VanDerWaalsContact CG-OG 3.26Å; N212-S227 PolarHBondContact ND2-OG 3.12Å; N212-S227 PolarHBondContact OD1-OG 3.35Å; S227-F229 VanDerWaalsContact CB-CE2 3.45Å
228	L	86	Confident	55.9	Low	3 Å²	3	69.4 Å²	69.4	2%	0.016	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	126.5	170.4	-84.2	62	0	0	0	108.1	L7 R8 F9 V39 V41 V66 F204 V206 F209 L226	L7-L228 HydrophobicContact CD1-CD1 3.96Å; L7-L228 HydrophobicContact CD2-CB 4.46Å; L7-L228 HydrophobicContact CD2-CD1 3.58Å; L7-L228 HydrophobicContact CD2-CD2 3.99Å; L7-L228 HydrophobicContact CD2-CG 4.22Å; L7-L228 HydrophobicContact CG-CD1 3.89Å; R8-L228 PolarHBondContact O-N 3.27Å; F9-L228 HydrophobicContact CE1-CB 4.4Å; F9-L228 HydrophobicContact CE1-CD2 4.33Å; V39-L228 HydrophobicContact CG1-CD2 3.88Å; V41-L228 HydrophobicContact CG2-CD2 3.92Å; V66-L228 HydrophobicContact CG2-CD2 4.32Å; F204-L228 HydrophobicContact CE1-CB 4.09Å; F204-L228 HydrophobicContact CZ-CB 4.31Å; V206-L228 HydrophobicContact CG1-CD2 4.44Å; V206-L228 HydrophobicContact CG1-CG 4.28Å; V206-L228 HydrophobicContact CG2-CD2 3.97Å; F209-L228 HydrophobicContact CD1-CD1 3.78Å; F209-L228 HydrophobicContact CD1-CG 3.88Å; F209-L228 HydrophobicContact CE1-CD1 4.08Å; F209-L228 HydrophobicContact CE1-CD2 4.28Å; F209-L228 HydrophobicContact CE1-CG 3.87Å; L226-L228 HydrophobicContact CD2-CD1 3.91Å; L226-L228 HydrophobicContact CG-CD1 3.95Å
229	F	83.5	Confident	55.8	Low	37 Å²	37	68.5 Å²	68.5	16%	0.162	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	136.4	176.9	-63	-96.6	0	0	0	109.5	H10 V206 D207 K208 E210 S227	H10-F229 HydrophobicContact CB-CD1 4.02Å; H10-F229 HydrophobicContact CB-CE1 4.38Å; H10-F229 AromaticContact CD2-CD1 3.91Å; H10-F229 AromaticContact CD2-CE1 3.47Å; H10-F229 VanDerWaalsContact CD2-CE1 3.47Å; H10-F229 WeakPolarHBondContact CD2-CE1 3.41Å; V206-F229 WeakPolarHBondContact CA-O 3.39Å; D207-F229 PolarHBondContact N-O 2.95Å; K208-F229 HydrophobicContact CD-CB 4.44Å; K208-F229 HydrophobicContact CD-CD2 4.2Å; K208-F229 HydrophobicContact CD-CG 4.37Å; K208-F229 VanDerWaalsContact CE-CG 3.49Å; K208-F229 HydrophobicContact CG-CB 3.7Å; K208-F229 HydrophobicContact CG-CD2 3.77Å; K208-F229 HydrophobicContact CG-CG 3.98Å; K208-F229 PolarHBondContact O-N 3.15Å; K208-F229 VanDerWaalsContact O-N 3.14Å; E210-F229 HydrophobicContact CB-CE2 3.83Å; E210-F229 HydrophobicContact CG-CD2 4.22Å; E210-F229 HydrophobicContact CG-CE2 3.63Å; E210-F229 HydrophobicContact CG-CZ 4.41Å; E210-F229 VanDerWaalsContact OE2-CE2 3.23Å; E210-F229 WeakPolarHBondContact OE2-CE2 3.1Å; E210-F229 WeakPolarHBondContact OE2-CZ 3.49Å; S227-F229 VanDerWaalsContact CB-CE2 3.45Å
230	S	79.2	Confident	55.9	Low	37 Å²	37	58.7 Å²	58.7	26%	0.259	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	141	171.8	-171.2	0	0	0	0	110.7	H10 C205	H10-S230 PolarHBondContact O-N 3.35Å; C205-S230 PolarHBondContact N-OG 3.12Å; C205-S230 CarbonylContact O-C 3.59Å; C205-S230 WeakPolarHBondContact O-CA 3.33Å; C205-S230 PolarHBondContact O-OG 2.82Å
231	R	73.1	Confident	56	Low	109 Å²	109	59.8 Å²	59.8	41%	0.411	32%	0.321	S	S	.	.			trans	-122	-178.3	162	78.2	167.4	177.3	-143.4	-2.2	110.2	C205 D207 Q233 V234	C205-R231 VanDerWaalsContact CB-O 3.28Å; C205-R231 WeakPolarHBondContact CB-O 3.1Å; C205-R231 PolarHBondContact O-N 3.21Å; D207-R231 HydrophobicContact CB-CB 3.81Å; D207-R231 HydrophobicContact CB-CG 3.6Å; D207-R231 VanDerWaalsContact CG-CG 3.49Å; D207-R231 WeakPolarHBondContact OD1-CD 3.47Å; D207-R231 IonicContact OD1-CZ 2.85Å; D207-R231 IonicContact OD1-NE 2.82Å; D207-R231 PolarHBondContact OD1-NE 3.28Å; D207-R231 IonicContact OD1-NH1 3.19Å; D207-R231 PolarHBondContact OD1-NH1 2.77Å; D207-R231 IonicContact OD1-NH2 2.74Å; D207-R231 IonicContact OD2-NH1 2.8Å; R231-Q233 PolarHBondContact NE-O 2.7Å; R231-V234 HydrophobicContact CG-CG2 3.9Å; R231-V234 VanDerWaalsContact NE-CG2 3.29Å
232	D	51.1	Low	56.6	Low	157 Å²	157	58.5 Å²	58.5	84%	0.84	31%	0.306	S	S	*	.	S	Bend	trans	-81.6	117.5	162.7	-65.2	-41.8	0	0	0	110.6
233	Q	39.7	Very low	57.8	Low	121 Å²	121	55.3 Å²	55.3	57%	0.565	30%	0.299	S	S	*	.			trans	60.2	127.6	168.4	-61.6	-180	8.8	0	0	118.1	R231	R231-Q233 PolarHBondContact NE-O 2.7Å
234	V	39.3	Very low	59.3	Low	44 Å²	44	56 Å²	56	27%	0.267	30%	0.302	S	S	.	.			trans	-141	148.9	178	-176	0	0	0	0	110.4	C205 R231	C205-V234 PolarHBondContact SG-N 3.42Å; R231-V234 HydrophobicContact CG-CG2 3.9Å; R231-V234 VanDerWaalsContact NE-CG2 3.29Å
235	P	40.3	Very low	60.5	Low	43 Å²	43	54.7 Å²	54.7	28%	0.279	30%	0.296	S	S	.	.			trans	-118.1	158.2	-155.2	5.3	20.9	0	0	0	117.3	R266	P235-R266 HydrophobicContact CB-CB 4.49Å; P235-R266 HydrophobicContact CB-CG 4.35Å
236	H	39.5	Very low	61.4	Low	148 Å²	148	57.4 Å²	57.4	69%	0.685	31%	0.308	S	S	*	.			trans	-138.1	149.1	169.6	-74.6	-56.3	0	0	0	115	R266	H236-R266 WeakPolarHBondContact O-CB 3.09Å; H236-R266 WeakPolarHBondContact O-CG 3.07Å
237	P	41.5	Very low	61.7	Low	71 Å²	71	57.5 Å²	57.5	46%	0.461	31%	0.31	S	S	.	.			trans	-93.3	155.5	-171.9	34.5	-34.9	0	0	0	117.2	A337	P237-A337 WeakPolarHBondContact O-CA 3.15Å
238	G	32	Very low	61.8	Low	23 Å²	23	60.2 Å²	60.2	24%	0.237	33%	0.328	C	S	.	.			trans	-88	173	170.6	0	0	0	0	0	113.3
239	L	45.3	Very low	62	Low	45 Å²	45	61.8 Å²	61.8	24%	0.236	33%	0.334	C	S	.	.			cis	-155.5	155.2	23.5	-120.9	-176.6	0	0	0	109.5	A260 V261 L262	L239-A260 HydrophobicContact CD2-CB 4.11Å; L239-V261 WeakPolarHBondContact CD2-O 3.31Å; L239-L262 HydrophobicContact CD1-CB 3.67Å; L239-L262 HydrophobicContact CD1-CD1 3.93Å; L239-L262 HydrophobicContact CD1-CG 4.43Å; L239-L262 VanDerWaalsContact CD1-N 3.26Å; L239-L262 HydrophobicContact CG-CB 4.5Å; L239-L262 HydrophobicContact CG-CD1 4.2Å
240	P	42.7	Very low	62.2	Low	12 Å²	12	62.7 Å²	62.7	8%	0.078	34%	0.34	C	S	.	.			trans	-138.5	170.4	166.5	36.2	-21.7	0	0	0	116.9	A260 R336 Q338	P240-A260 WeakPolarHBondContact O-CB 3.42Å; P240-R336 HydrophobicContact CG-CB 3.84Å; P240-R336 HydrophobicContact CG-CG 3.53Å; P240-R336 VanDerWaalsContact CG-CZ 3.47Å; P240-Q338 HydrophobicContact CB-CB 4Å; P240-Q338 HydrophobicContact CB-CG 3.92Å; P240-Q338 HydrophobicContact CG-CB 4.05Å; P240-Q338 HydrophobicContact CG-CG 4.49Å
241	F	45.1	Very low	62.6	Low	78 Å²	78	65.6 Å²	65.6	34%	0.342	35%	0.352	S	S	.	.			trans	-94.9	153.9	-176.8	-53.5	-67.3	0	0	0	115.4	H295 Y298 L346	F241-H295 HydrophobicContact CZ-CB 4.06Å; F241-H295 AromaticContact CZ-CG 3.96Å; F241-Y298 AromaticContact CD1-CD1 3.94Å; F241-Y298 HydrophobicContact CD1-CD1 3.94Å; F241-Y298 AromaticContact CD1-CE1 3.42Å; F241-Y298 HydrophobicContact CD1-CE1 3.42Å; F241-Y298 VanDerWaalsContact CD1-CE1 3.42Å; F241-Y298 AromaticContact CE1-CD1 3.66Å; F241-Y298 HydrophobicContact CE1-CD1 3.66Å; F241-Y298 AromaticContact CE1-CE1 3.66Å; F241-Y298 HydrophobicContact CE1-CE1 3.66Å; F241-Y298 HydrophobicContact CG-CE1 4.38Å; F241-L346 HydrophobicContact CD2-CD1 3.88Å; F241-L346 HydrophobicContact CE2-CD1 3.97Å
242	L	56.7	Low	63.2	Low	82 Å²	82	63.3 Å²	63.3	43%	0.429	36%	0.363	S	S	.	.			trans	-143.7	154.5	168.5	-110.7	99.5	0	0	0	111.4	H245 P258	L242-H245 WeakPolarHBondContact CD2-CE1 3.31Å; L242-H245 WeakPolarHBondContact CD2-ND1 3.23Å; L242-P258 HydrophobicContact CB-CB 4.13Å; L242-P258 VanDerWaalsContact O-CB 3.27Å; L242-P258 WeakPolarHBondContact O-CB 3.16Å
243	G	68.1	Low	65	Low	45 Å²	45	60 Å²	60	46%	0.464	35%	0.345	S	S	.	.			trans	-83	174.4	166.7	0	0	0	0	0	112.6	H245	G243-H245 PolarHBondContact O-N 2.82Å; G243-H245 PolarHBondContact O-ND1 3.47Å
244	V	83.5	Confident	67.4	Low	31 Å²	31	57.7 Å²	57.7	19%	0.188	34%	0.339	C	S	.	.			trans	-58.4	132.8	175.8	174.6	0	0	0	0	111	F246 G257 Q315 L316 Y319	V244-F246 HydrophobicContact CG1-CE2 3.97Å; V244-G257 WeakPolarHBondContact CA-O 3.34Å; V244-Q315 HydrophobicContact CG2-CG 3.87Å; V244-L316 HydrophobicContact CG1-CD2 3.67Å; V244-Y319 HydrophobicContact CB-CD2 4.21Å; V244-Y319 HydrophobicContact CB-CE2 3.55Å; V244-Y319 HydrophobicContact CG1-CD2 3.55Å; V244-Y319 HydrophobicContact CG1-CE2 3.43Å; V244-Y319 VanDerWaalsContact CG1-CE2 3.43Å; V244-Y319 HydrophobicContact CG1-CG 4.42Å; V244-Y319 HydrophobicContact CG2-CE2 3.91Å
245	H	84.5	Confident	69.7	Low	44 Å²	44	57.3 Å²	57.3	20%	0.204	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	142.2	178.6	55	-81.2	0	0	0	111.3	L242 G243 G257	L242-H245 WeakPolarHBondContact CD2-CE1 3.31Å; L242-H245 WeakPolarHBondContact CD2-ND1 3.23Å; G243-H245 PolarHBondContact O-N 2.82Å; G243-H245 PolarHBondContact O-ND1 3.47Å; H245-G257 PolarHBondContact N-O 2.7Å; H245-G257 PolarHBondContact O-N 3.03Å
246	F	91	Very high	71.9	Confident	63 Å²	63	57.7 Å²	57.7	28%	0.276	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	116	166.7	-60.3	-104.3	0	0	0	105.1	V244 V254 L255 L256 L316 Y319 I320 L323	V244-F246 HydrophobicContact CG1-CE2 3.97Å; F246-V254 HydrophobicContact CB-CG1 4.1Å; F246-L255 CarbonylContact C-O 3.35Å; F246-L255 WeakPolarHBondContact CA-O 3.46Å; F246-L256 HydrophobicContact CB-CD2 4.48Å; F246-L256 HydrophobicContact CD1-CD2 3.22Å; F246-L256 HydrophobicContact CE1-CD2 3.64Å; F246-L256 HydrophobicContact CG-CD2 4.09Å; F246-L316 HydrophobicContact CE1-CB 4.37Å; F246-L316 HydrophobicContact CE1-CD2 4.21Å; F246-L316 HydrophobicContact CE2-CD2 4.05Å; F246-L316 HydrophobicContact CZ-CB 3.82Å; F246-L316 HydrophobicContact CZ-CD2 3.72Å; F246-L316 HydrophobicContact CZ-CG 4.32Å; F246-Y319 HydrophobicContact CE2-CD2 4.35Å; F246-Y319 HydrophobicContact CE2-CG 4.21Å; F246-I320 HydrophobicContact CD1-CD1 3.62Å; F246-I320 HydrophobicContact CE1-CB 4.39Å; F246-I320 HydrophobicContact CE1-CD1 3.44Å; F246-I320 VanDerWaalsContact CE1-CD1 3.44Å; F246-I320 HydrophobicContact CE1-CG1 3.95Å; F246-I320 HydrophobicContact CE2-CD1 4.39Å; F246-I320 HydrophobicContact CE2-CG1 4.35Å; F246-I320 HydrophobicContact CG-CD1 4.19Å; F246-I320 HydrophobicContact CZ-CB 4.3Å; F246-I320 HydrophobicContact CZ-CD1 3.86Å; F246-I320 HydrophobicContact CZ-CG1 3.85Å; F246-L323 HydrophobicContact CE1-CD2 4.29Å
247	S	87.9	Confident	73.8	Confident	15 Å²	15	50.7 Å²	50.7	11%	0.105	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	105.7	-175	-62	0	0	0	0	110.4	L255	S247-L255 PolarHBondContact N-O 3.01Å; S247-L255 PolarHBondContact O-N 3.35Å
248	S	88.7	Confident	75.1	Confident	56 Å²	56	47.5 Å²	47.5	39%	0.392	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	146.4	172.1	-51.1	0	0	0	0	111.1	I179 D253	I179-S248 VanDerWaalsContact CG2-O 3.23Å; I179-S248 WeakPolarHBondContact CG2-O 3.22Å; S248-D253 CarbonylContact C-O 3.59Å; S248-D253 WeakPolarHBondContact CA-O 3.49Å
249	R	88.6	Confident	76.6	Confident	37 Å²	37	50.2 Å²	50.2	14%	0.14	29%	0.291	C	S	.	.			trans	-117.9	164.6	176.3	-62.7	-167.1	86.2	-162.2	5.9	111	N80 N251 G252 D253 L255	N80-R249 PolarHBondContact O-NH2 3.08Å; R249-N251 WeakPolarHBondContact CB-OD1 3.18Å; R249-N251 PolarHBondContact O-N 3.41Å; R249-G252 PolarHBondContact O-N 3.33Å; R249-G252 VanDerWaalsContact O-N 3.11Å; R249-D253 PolarHBondContact N-O 3.44Å; R249-L255 HydrophobicContact CG-CD1 4.31Å; R249-L255 HydrophobicContact CG-CG 4.15Å
250	M	89.5	Confident	77.6	Confident	56 Å²	56	49.4 Å²	49.4	28%	0.276	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23.9	178.5	-69.4	-57.8	-66.4	0	0	113.4	P117 K119 I179 G252	P117-M250 HydrophobicContact CB-CE 3.92Å; K119-M250 HydrophobicContact CD-SD 4.49Å; K119-M250 HydrophobicContact CG-CE 4.41Å; K119-M250 HydrophobicContact CG-SD 4.14Å; I179-M250 HydrophobicContact CD1-SD 4.1Å; I179-M250 HydrophobicContact CG1-SD 3.97Å; M250-G252 VanDerWaalsContact C-N 3.31Å
251	N	86.8	Confident	78.8	Confident	97 Å²	97	50.3 Å²	50.3	52%	0.519	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.7	3	176.8	69.6	-20.8	0	0	0	114	R249 D253	R249-N251 WeakPolarHBondContact CB-OD1 3.18Å; R249-N251 PolarHBondContact O-N 3.41Å; N251-D253 PolarHBondContact ND2-OD2 2.78Å; N251-D253 WeakPolarHBondContact OD1-CB 3.46Å; N251-D253 PolarHBondContact OD1-N 3.15Å
252	G	85.8	Confident	79.8	Confident	62 Å²	62	48.1 Å²	48.1	64%	0.639	29%	0.288	S	S	*	.	S	Bend	trans	92.5	-14.5	-179.9	0	0	0	0	0	114.7	R249 M250	R249-G252 PolarHBondContact O-N 3.33Å; R249-G252 VanDerWaalsContact O-N 3.11Å; M250-G252 VanDerWaalsContact C-N 3.31Å
253	D	88.9	Confident	80	Confident	87 Å²	87	45.9 Å²	45.9	47%	0.465	28%	0.281	S	S	.	.			trans	-66.1	149.9	175.9	-63.6	-22.5	0	0	0	111.4	S248 R249 N251	S248-D253 CarbonylContact C-O 3.59Å; S248-D253 WeakPolarHBondContact CA-O 3.49Å; R249-D253 PolarHBondContact N-O 3.44Å; N251-D253 PolarHBondContact ND2-OD2 2.78Å; N251-D253 WeakPolarHBondContact OD1-CB 3.46Å; N251-D253 PolarHBondContact OD1-N 3.15Å
254	V	90.2	Very high	80	Confident	73 Å²	73	47 Å²	47	44%	0.442	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	112.8	168.4	-176.1	0	0	0	0	108.5	F246 L256	F246-V254 HydrophobicContact CB-CG1 4.1Å; V254-L256 HydrophobicContact CG1-CD2 3.98Å
255	L	86.9	Confident	79.1	Confident	35 Å²	35	49.3 Å²	49.3	18%	0.183	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.3	174.2	-65.9	-179.6	0	0	0	110.4	F246 S247 R249	F246-L255 CarbonylContact C-O 3.35Å; F246-L255 WeakPolarHBondContact CA-O 3.46Å; S247-L255 PolarHBondContact N-O 3.01Å; S247-L255 PolarHBondContact O-N 3.35Å; R249-L255 HydrophobicContact CG-CD1 4.31Å; R249-L255 HydrophobicContact CG-CG 4.15Å
256	L	87.6	Confident	78.6	Confident	51 Å²	51	48.9 Å²	48.9	27%	0.267	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.9	-179.6	-50.3	178.1	0	0	0	108.8	F246 V254 L316 L323 V328	F246-L256 HydrophobicContact CB-CD2 4.48Å; F246-L256 HydrophobicContact CD1-CD2 3.22Å; F246-L256 HydrophobicContact CE1-CD2 3.64Å; F246-L256 HydrophobicContact CG-CD2 4.09Å; V254-L256 HydrophobicContact CG1-CD2 3.98Å; L256-L316 HydrophobicContact CB-CD1 3.78Å; L256-L316 HydrophobicContact CB-CD2 4.42Å; L256-L316 HydrophobicContact CD1-CD1 3.96Å; L256-L316 HydrophobicContact CG-CD1 4.36Å; L256-L323 HydrophobicContact CD1-CD2 4.47Å; L256-V328 HydrophobicContact CD1-CB 4.2Å; L256-V328 HydrophobicContact CD1-CG1 3.4Å; L256-V328 VanDerWaalsContact CD1-CG1 3.4Å
257	G	79.6	Confident	77.6	Confident	2 Å²	2	48.3 Å²	48.3	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	-179.3	178.1	0	0	0	0	0	113.1	V244 H245	V244-G257 WeakPolarHBondContact CA-O 3.34Å; H245-G257 PolarHBondContact N-O 2.7Å; H245-G257 PolarHBondContact O-N 3.03Å
258	P	68.1	Low	76.6	Confident	3 Å²	3	47.8 Å²	47.8	2%	0.019	27%	0.27	C	S	.	.			cis	-81.1	167.6	8.2	37.8	-36.4	0	0	0	112.8	L242 Q312	L242-P258 HydrophobicContact CB-CB 4.13Å; L242-P258 VanDerWaalsContact O-CB 3.27Å; L242-P258 WeakPolarHBondContact O-CB 3.16Å; P258-Q312 PolarHBondContact O-OE1 3.01Å
259	N	62.2	Low	75.9	Confident	80 Å²	80	47.5 Å²	47.5	43%	0.428	26%	0.261	S	S	.	.			trans	-158.2	102.4	158	-84.6	-45.1	0	0	0	106.1	S306	N259-S306 WeakPolarHBondContact OD1-CA 3.49Å
260	A	66.5	Low	74.8	Confident	28 Å²	28	47.6 Å²	47.6	23%	0.231	27%	0.274	C	S	.	.			trans	-131.1	105.2	173	0	0	0	0	0	109.7	L239 P240	L239-A260 HydrophobicContact CD2-CB 4.11Å; P240-A260 WeakPolarHBondContact O-CB 3.42Å
261	V	67.7	Low	73.6	Confident	31 Å²	31	50.1 Å²	50.1	19%	0.188	28%	0.281	C	S	.	.			trans	-122.4	156.1	-177.5	-66.2	0	0	0	0	110	L239 A263 F303	L239-V261 WeakPolarHBondContact CD2-O 3.31Å; V261-A263 PolarHBondContact O-N 3.45Å; V261-A263 VanDerWaalsContact O-N 3.13Å; V261-F303 HydrophobicContact CB-CD1 3.96Å; V261-F303 HydrophobicContact CB-CD2 4.26Å; V261-F303 HydrophobicContact CB-CE1 3.68Å; V261-F303 HydrophobicContact CB-CE2 3.99Å; V261-F303 HydrophobicContact CB-CG 4.26Å; V261-F303 HydrophobicContact CB-CZ 3.7Å; V261-F303 HydrophobicContact CG1-CB 4.37Å; V261-F303 HydrophobicContact CG1-CD1 3.8Å; V261-F303 HydrophobicContact CG1-CD2 4.02Å; V261-F303 HydrophobicContact CG1-CE1 4.07Å; V261-F303 HydrophobicContact CG1-CE2 4.26Å; V261-F303 HydrophobicContact CG1-CG 3.79Å; V261-F303 HydrophobicContact CG1-CZ 4.3Å; V261-F303 HydrophobicContact CG2-CE1 4.41Å
262	L	66.4	Low	72.8	Confident	32 Å²	32	53.4 Å²	53.4	17%	0.168	30%	0.298	C	S	.	.			trans	-66	121	-175.2	-176.5	66.4	0	0	0	108.1	L239 F264 T282 L288 F303	L239-L262 HydrophobicContact CD1-CB 3.67Å; L239-L262 HydrophobicContact CD1-CD1 3.93Å; L239-L262 HydrophobicContact CD1-CG 4.43Å; L239-L262 VanDerWaalsContact CD1-N 3.26Å; L239-L262 HydrophobicContact CG-CB 4.5Å; L239-L262 HydrophobicContact CG-CD1 4.2Å; L262-F264 PolarHBondContact O-N 3.11Å; L262-T282 HydrophobicContact CD1-CG2 4.23Å; L262-L288 HydrophobicContact CD2-CD2 4.48Å; L262-F303 HydrophobicContact CB-CE2 4.4Å; L262-F303 HydrophobicContact CB-CZ 4.04Å
263	A	62	Low	72.2	Confident	35 Å²	35	53.1 Å²	53.1	29%	0.289	28%	0.281	S	S	.	.			trans	-72.3	127	170.2	0	0	0	0	0	108.4	V261 R265	V261-A263 PolarHBondContact O-N 3.45Å; V261-A263 VanDerWaalsContact O-N 3.13Å; A263-R265 VanDerWaalsContact CB-O 3.28Å; A263-R265 WeakPolarHBondContact CB-O 3.39Å; A263-R265 PolarHBondContact O-N 2.76Å
264	F	66.9	Low	71.5	Confident	69 Å²	69	54.1 Å²	54.1	30%	0.303	28%	0.282	S	S	.	.	S	Bend	trans	-79.3	-2.3	179.1	-57.2	-55.5	0	0	0	113.7	L262 D273 F274 K275 F279 F303	L262-F264 PolarHBondContact O-N 3.11Å; F264-D273 CarbonylContact C-O 3.4Å; F264-F274 HydrophobicContact CB-CD2 3.86Å; F264-F274 HydrophobicContact CG-CD2 4.47Å; F264-K275 PolarHBondContact O-N 2.82Å; F264-F279 HydrophobicContact CD1-CD2 4.01Å; F264-F279 AromaticContact CD1-CE2 3.86Å; F264-F279 HydrophobicContact CD1-CE2 3.86Å; F264-F279 HydrophobicContact CE1-CE2 4.25Å; F264-F303 HydrophobicContact CZ-CE1 4.28Å; F264-F303 HydrophobicContact CZ-CZ 4.47Å
265	R	64.7	Low	70.8	Confident	79 Å²	79	54.5 Å²	54.5	30%	0.298	28%	0.278	S	S	.	.	S	Bend	trans	-142.3	148.1	169.5	-179.7	-176.8	178.3	179.4	-0.3	107.7	A263 E267 G268 D273 K275	A263-R265 VanDerWaalsContact CB-O 3.28Å; A263-R265 WeakPolarHBondContact CB-O 3.39Å; A263-R265 PolarHBondContact O-N 2.76Å; R265-E267 PolarHBondContact O-N 2.77Å; R265-G268 PolarHBondContact O-N 2.69Å; R265-D273 HydrophobicContact CB-CB 4.25Å; R265-D273 WeakPolarHBondContact CB-O 3.3Å; R265-D273 PolarHBondContact N-O 2.89Å; R265-K275 HydrophobicContact CG-CB 4.28Å
266	R	73.9	Confident	70.4	Confident	36 Å²	36	57.5 Å²	57.5	14%	0.136	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-25.1	-176.8	-68.1	171.2	172.1	139.6	-12.3	114.5	P235 H236 E278 E281 V335	P235-R266 HydrophobicContact CB-CB 4.49Å; P235-R266 HydrophobicContact CB-CG 4.35Å; H236-R266 WeakPolarHBondContact O-CB 3.09Å; H236-R266 WeakPolarHBondContact O-CG 3.07Å; R266-E278 WeakPolarHBondContact CB-OE2 3.36Å; R266-E278 WeakPolarHBondContact CD-OE2 3.44Å; R266-E278 WeakPolarHBondContact CG-OE2 3.38Å; R266-E278 PolarHBondContact N-OE2 3.2Å; R266-E278 VanDerWaalsContact N-OE2 3.11Å; R266-E278 VanDerWaalsContact NH1-CG 3.3Å; R266-E278 IonicContact NH1-OE1 3.45Å; R266-E278 PolarHBondContact NH1-OE1 3.03Å; R266-E281 IonicContact CZ-OE2 3.54Å; R266-E281 IonicContact NH1-OE2 3.81Å; R266-E281 IonicContact NH2-OE1 3.7Å; R266-E281 PolarHBondContact NH2-OE1 2.8Å; R266-E281 IonicContact NH2-OE2 3.62Å; R266-E281 PolarHBondContact NH2-OE2 2.71Å; R266-V335 WeakPolarHBondContact O-CG1 3.17Å
267	E	69.8	Low	70	Confident	50 Å²	50	60.8 Å²	60.8	23%	0.234	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-122.3	31.2	170.9	-52.7	-166.2	128.8	0	0	110.7	K68 H75 R265 Y269	K68-E267 IonicContact NZ-OE1 2.65Å; K68-E267 PolarHBondContact NZ-OE1 3.35Å; K68-E267 IonicContact NZ-OE2 2.65Å; K68-E267 PolarHBondContact NZ-OE2 3.44Å; H75-E267 IonicContact CE1-OE1 3.82Å; H75-E267 PolarHBondContact CE1-OE1 2.88Å; H75-E267 IonicContact ND1-OE1 3.51Å; H75-E267 PolarHBondContact ND1-OE1 2.76Å; H75-E267 IonicContact NE2-OE1 3.66Å; R265-E267 PolarHBondContact O-N 2.77Å; E267-Y269 HydrophobicContact CB-CE2 4.3Å; E267-Y269 VanDerWaalsContact O-CD2 3.22Å; E267-Y269 WeakPolarHBondContact O-CD2 3.22Å; E267-Y269 WeakPolarHBondContact O-CE2 3.41Å; E267-Y269 PolarHBondContact O-N 3.22Å
268	G	67.7	Low	69.9	Low	4 Å²	4	61.3 Å²	61.3	4%	0.041	31%	0.312	C	S	.	.			trans	-75.8	113.5	174.1	0	0	0	0	0	109.9	R265 D273 V335	R265-G268 PolarHBondContact O-N 2.69Å; G268-D273 VanDerWaalsContact CA-OD2 3.3Å; G268-D273 WeakPolarHBondContact CA-OD2 3.49Å; G268-V335 WeakPolarHBondContact O-CG2 3.4Å
269	Y	73.5	Confident	70.5	Confident	51 Å²	51	63.6 Å²	63.6	20%	0.2	32%	0.322	C	S	.	.			trans	-104	-14	174.4	-59.6	-74.8	0	0	0	111.9	H75 R79 E267 D273 T333 V335	H75-Y269 PolarHBondContact ND1-OH 3.36Å; H75-Y269 VanDerWaalsContact ND1-OH 3.12Å; R79-Y269 VanDerWaalsContact NH1-CG 3.33Å; E267-Y269 HydrophobicContact CB-CE2 4.3Å; E267-Y269 VanDerWaalsContact O-CD2 3.22Å; E267-Y269 WeakPolarHBondContact O-CD2 3.22Å; E267-Y269 WeakPolarHBondContact O-CE2 3.41Å; E267-Y269 PolarHBondContact O-N 3.22Å; Y269-D273 PolarHBondContact N-OD2 2.74Å; Y269-T333 HydrophobicContact CD1-CG2 4.47Å; Y269-T333 WeakPolarHBondContact CD1-O 3.16Å; Y269-T333 WeakPolarHBondContact O-CB 3.36Å; Y269-T333 VanDerWaalsContact O-CG2 3.3Å; Y269-T333 WeakPolarHBondContact O-CG2 3.23Å; Y269-T333 PolarHBondContact O-OG1 3.27Å; Y269-V335 HydrophobicContact CD1-CG2 4Å; Y269-V335 HydrophobicContact CE1-CB 4.4Å; Y269-V335 HydrophobicContact CE1-CG2 3.83Å
270	G	67	Low	71.4	Confident	39 Å²	39	66.1 Å²	66.1	40%	0.402	33%	0.329	S	S	.	.	S	Bend	trans	-101.4	156.2	168.7	0	0	0	0	0	112.8	L272 D273	G270-L272 PolarHBondContact O-N 3.36Å; G270-D273 PolarHBondContact N-OD2 2.85Å; G270-D273 PolarHBondContact O-N 3.2Å
271	Y	63.3	Low	72.2	Confident	108 Å²	108	70.4 Å²	70.4	42%	0.424	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-22.6	175.6	-68	-80.4	0	0	0	113.7	S306 R330	Y271-S306 PolarHBondContact OH-O 2.65Å; Y271-S306 VanDerWaalsContact OH-O 3.1Å; Y271-S306 PolarHBondContact OH-OG 3.07Å; Y271-R330 PolarHBondContact OH-NH1 2.82Å
272	L	69.6	Low	72.9	Confident	167 Å²	167	70.2 Å²	70.2	87%	0.874	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.1	2	-178.4	-60.3	177	0	0	0	113.1	G270 F274	G270-L272 PolarHBondContact O-N 3.36Å; L272-F274 VanDerWaalsContact C-N 3.35Å; L272-F274 PolarHBondContact O-N 3.46Å
273	D	73.3	Confident	73.7	Confident	55 Å²	55	71.5 Å²	71.5	29%	0.294	35%	0.353	S	S	.	.			trans	-71.3	93.7	176.6	-71	-18.6	0	0	0	109	F264 R265 G268 Y269 G270	F264-D273 CarbonylContact C-O 3.4Å; R265-D273 HydrophobicContact CB-CB 4.25Å; R265-D273 WeakPolarHBondContact CB-O 3.3Å; R265-D273 PolarHBondContact N-O 2.89Å; G268-D273 VanDerWaalsContact CA-OD2 3.3Å; G268-D273 WeakPolarHBondContact CA-OD2 3.49Å; Y269-D273 PolarHBondContact N-OD2 2.74Å; G270-D273 PolarHBondContact N-OD2 2.85Å; G270-D273 PolarHBondContact O-N 3.2Å
274	F	74.9	Confident	74.8	Confident	108 Å²	108	72.1 Å²	72.1	47%	0.474	36%	0.363	S	S	.	.			trans	-118.5	132.8	-175.3	-175.1	-92.9	0	0	0	110.5	F264 L272 I276 F279	F264-F274 HydrophobicContact CB-CD2 3.86Å; F264-F274 HydrophobicContact CG-CD2 4.47Å; L272-F274 VanDerWaalsContact C-N 3.35Å; L272-F274 PolarHBondContact O-N 3.46Å; F274-I276 HydrophobicContact CE1-CB 3.88Å; F274-I276 HydrophobicContact CE1-CG1 4.22Å; F274-F279 HydrophobicContact CD2-CB 4.48Å; F274-F279 HydrophobicContact CD2-CD2 4.44Å; F274-F279 HydrophobicContact CD2-CG 4.45Å; F274-F279 HydrophobicContact CE2-CB 3.68Å; F274-F279 AromaticContact CE2-CD1 3.83Å; F274-F279 HydrophobicContact CE2-CD1 3.83Å; F274-F279 AromaticContact CE2-CD2 3.67Å; F274-F279 HydrophobicContact CE2-CD2 3.67Å; F274-F279 HydrophobicContact CE2-CE1 4.37Å; F274-F279 HydrophobicContact CE2-CE2 4.24Å; F274-F279 AromaticContact CE2-CG 3.43Å; F274-F279 HydrophobicContact CE2-CG 3.43Å; F274-F279 VanDerWaalsContact CE2-CG 3.43Å; F274-F279 HydrophobicContact CZ-CB 3.8Å; F274-F279 AromaticContact CZ-CD1 3.82Å; F274-F279 HydrophobicContact CZ-CD1 3.82Å; F274-F279 HydrophobicContact CZ-CD2 4.45Å; F274-F279 AromaticContact CZ-CG 3.76Å; F274-F279 HydrophobicContact CZ-CG 3.76Å
275	K	75.1	Confident	75.8	Confident	82 Å²	82	73.2 Å²	73.2	36%	0.357	37%	0.366	S	S	.	.			trans	-131	114.7	168.4	-174.2	169.8	160.1	-161.2	0	109.8	F264 R265 N277 E278 F279	F264-K275 PolarHBondContact O-N 2.82Å; R265-K275 HydrophobicContact CG-CB 4.28Å; K275-N277 PolarHBondContact O-N 3.37Å; K275-E278 HydrophobicContact CB-CB 4.37Å; K275-E278 HydrophobicContact CB-CG 3.98Å; K275-E278 HydrophobicContact CD-CG 3.72Å; K275-E278 WeakPolarHBondContact CD-OE1 3.33Å; K275-E278 WeakPolarHBondContact CE-OE1 3.27Å; K275-E278 HydrophobicContact CG-CG 3.85Å; K275-E278 IonicContact NZ-OE1 2.64Å; K275-E278 PolarHBondContact NZ-OE1 3.19Å; K275-E278 PolarHBondContact O-N 3.4Å; K275-F279 PolarHBondContact O-N 2.89Å
276	I	78.5	Confident	77	Confident	97 Å²	97	77.4 Å²	77.4	50%	0.497	38%	0.381	S	S	.	.	H	α-helix	trans	-54.4	-47.4	-168.1	-164.4	163.9	0	0	0	113.4	F274 E278 F279 F280	F274-I276 HydrophobicContact CE1-CB 3.88Å; F274-I276 HydrophobicContact CE1-CG1 4.22Å; I276-E278 VanDerWaalsContact C-N 3.33Å; I276-E278 PolarHBondContact O-N 2.99Å; I276-F279 PolarHBondContact O-N 2.81Å; I276-F280 HydrophobicContact CD1-CE2 4.12Å; I276-F280 HydrophobicContact CG1-CD2 3.72Å; I276-F280 HydrophobicContact CG1-CE2 3.6Å; I276-F280 VanDerWaalsContact O-CD2 3.32Å; I276-F280 WeakPolarHBondContact O-CD2 3.23Å; I276-F280 PolarHBondContact O-N 3.13Å
277	N	78.6	Confident	77.6	Confident	121 Å²	121	75.7 Å²	75.7	65%	0.647	38%	0.375	S	S	*	.	H	α-helix	trans	-63.5	-38.4	-179.6	-65.1	-10.6	0	0	0	112	K275 E281	K275-N277 PolarHBondContact O-N 3.37Å; N277-E281 VanDerWaalsContact O-CB 3.32Å; N277-E281 WeakPolarHBondContact O-CB 3.39Å; N277-E281 PolarHBondContact O-N 3.24Å; N277-E281 VanDerWaalsContact O-N 3.11Å
278	E	79.1	Confident	78.4	Confident	12 Å²	12	74.4 Å²	74.4	6%	0.056	37%	0.369	C	S	.	.	H	α-helix	trans	-74.4	-37.6	-179.4	-50.2	-166.3	164.2	0	0	111.4	R266 K275 I276 T282	R266-E278 WeakPolarHBondContact CB-OE2 3.36Å; R266-E278 WeakPolarHBondContact CD-OE2 3.44Å; R266-E278 WeakPolarHBondContact CG-OE2 3.38Å; R266-E278 PolarHBondContact N-OE2 3.2Å; R266-E278 VanDerWaalsContact N-OE2 3.11Å; R266-E278 VanDerWaalsContact NH1-CG 3.3Å; R266-E278 IonicContact NH1-OE1 3.45Å; R266-E278 PolarHBondContact NH1-OE1 3.03Å; K275-E278 HydrophobicContact CB-CB 4.37Å; K275-E278 HydrophobicContact CB-CG 3.98Å; K275-E278 HydrophobicContact CD-CG 3.72Å; K275-E278 WeakPolarHBondContact CD-OE1 3.33Å; K275-E278 WeakPolarHBondContact CE-OE1 3.27Å; K275-E278 HydrophobicContact CG-CG 3.85Å; K275-E278 IonicContact NZ-OE1 2.64Å; K275-E278 PolarHBondContact NZ-OE1 3.19Å; K275-E278 PolarHBondContact O-N 3.4Å; I276-E278 VanDerWaalsContact C-N 3.33Å; I276-E278 PolarHBondContact O-N 2.99Å; E278-T282 VanDerWaalsContact O-CB 3.22Å; E278-T282 WeakPolarHBondContact O-CB 3.26Å; E278-T282 PolarHBondContact O-N 2.94Å; E278-T282 PolarHBondContact O-OG1 3.35Å
279	F	79.2	Confident	79.4	Confident	52 Å²	52	78.7 Å²	78.7	23%	0.228	39%	0.389	C	S	.	.	H	α-helix	trans	-61.3	-51.2	176.7	177.6	-100.1	0	0	0	111.1	F264 F274 K275 I276 T282 V283	F264-F279 HydrophobicContact CD1-CD2 4.01Å; F264-F279 AromaticContact CD1-CE2 3.86Å; F264-F279 HydrophobicContact CD1-CE2 3.86Å; F264-F279 HydrophobicContact CE1-CE2 4.25Å; F274-F279 HydrophobicContact CD2-CB 4.48Å; F274-F279 HydrophobicContact CD2-CD2 4.44Å; F274-F279 HydrophobicContact CD2-CG 4.45Å; F274-F279 HydrophobicContact CE2-CB 3.68Å; F274-F279 AromaticContact CE2-CD1 3.83Å; F274-F279 HydrophobicContact CE2-CD1 3.83Å; F274-F279 AromaticContact CE2-CD2 3.67Å; F274-F279 HydrophobicContact CE2-CD2 3.67Å; F274-F279 HydrophobicContact CE2-CE1 4.37Å; F274-F279 HydrophobicContact CE2-CE2 4.24Å; F274-F279 AromaticContact CE2-CG 3.43Å; F274-F279 HydrophobicContact CE2-CG 3.43Å; F274-F279 VanDerWaalsContact CE2-CG 3.43Å; F274-F279 HydrophobicContact CZ-CB 3.8Å; F274-F279 AromaticContact CZ-CD1 3.82Å; F274-F279 HydrophobicContact CZ-CD1 3.82Å; F274-F279 HydrophobicContact CZ-CD2 4.45Å; F274-F279 AromaticContact CZ-CG 3.76Å; F274-F279 HydrophobicContact CZ-CG 3.76Å; K275-F279 PolarHBondContact O-N 2.89Å; I276-F279 PolarHBondContact O-N 2.81Å; F279-T282 PolarHBondContact O-N 2.66Å; F279-V283 HydrophobicContact CD1-CG2 4.41Å; F279-V283 HydrophobicContact CD2-CG2 4.25Å; F279-V283 HydrophobicContact CE1-CG2 4.04Å; F279-V283 HydrophobicContact CE2-CG2 3.86Å; F279-V283 HydrophobicContact CZ-CG2 3.76Å; F279-V283 WeakPolarHBondContact O-CB 3.42Å; F279-V283 WeakPolarHBondContact O-CG2 3.24Å; F279-V283 PolarHBondContact O-N 2.92Å
280	F	82	Confident	80.1	Confident	132 Å²	132	79.8 Å²	79.8	58%	0.579	39%	0.394	S	S	*	.	H	α-helix	trans	-68.7	-34.6	179.7	-78.1	-68.1	0	0	0	113.2	I276 T282 G284	I276-F280 HydrophobicContact CD1-CE2 4.12Å; I276-F280 HydrophobicContact CG1-CD2 3.72Å; I276-F280 HydrophobicContact CG1-CE2 3.6Å; I276-F280 VanDerWaalsContact O-CD2 3.32Å; I276-F280 WeakPolarHBondContact O-CD2 3.23Å; I276-F280 PolarHBondContact O-N 3.13Å; F280-T282 VanDerWaalsContact C-N 3.32Å; F280-G284 WeakPolarHBondContact O-CA 3.21Å; F280-G284 PolarHBondContact O-N 3.11Å
281	E	82.7	Confident	81	Confident	119 Å²	119	78.6 Å²	78.6	56%	0.556	38%	0.379	S	S	*	.	H	α-helix	trans	-61.7	-43.3	171.4	-170.6	-169.2	146.5	0	0	111.3	R266 N277 Y285	R266-E281 IonicContact CZ-OE2 3.54Å; R266-E281 IonicContact NH1-OE2 3.81Å; R266-E281 IonicContact NH2-OE1 3.7Å; R266-E281 PolarHBondContact NH2-OE1 2.8Å; R266-E281 IonicContact NH2-OE2 3.62Å; R266-E281 PolarHBondContact NH2-OE2 2.71Å; N277-E281 VanDerWaalsContact O-CB 3.32Å; N277-E281 WeakPolarHBondContact O-CB 3.39Å; N277-E281 PolarHBondContact O-N 3.24Å; N277-E281 VanDerWaalsContact O-N 3.11Å; E281-Y285 PolarHBondContact O-N 2.93Å
282	T	82.4	Confident	82.1	Confident	26 Å²	26	75.7 Å²	75.7	16%	0.16	38%	0.377	C	S	.	.	H	α-helix	trans	-66	-50.6	179.6	-60.2	0	0	0	0	111.2	L262 E278 F279 F280 G284 Y285 L288	L262-T282 HydrophobicContact CD1-CG2 4.23Å; E278-T282 VanDerWaalsContact O-CB 3.22Å; E278-T282 WeakPolarHBondContact O-CB 3.26Å; E278-T282 PolarHBondContact O-N 2.94Å; E278-T282 PolarHBondContact O-OG1 3.35Å; F279-T282 PolarHBondContact O-N 2.66Å; F280-T282 VanDerWaalsContact C-N 3.32Å; T282-G284 VanDerWaalsContact C-N 3.32Å; T282-G284 PolarHBondContact O-N 3.13Å; T282-Y285 WeakPolarHBondContact O-CB 3.36Å; T282-Y285 PolarHBondContact O-N 3.26Å; T282-L288 HydrophobicContact CG2-CD2 3.46Å; T282-L288 VanDerWaalsContact CG2-CD2 3.46Å; T282-L288 WeakPolarHBondContact O-CD2 3.49Å
283	V	83.5	Confident	82.9	Confident	59 Å²	59	73.7 Å²	73.7	36%	0.358	37%	0.371	S	S	.	.	H	α-helix	trans	-68	-31.4	179.1	174.5	0	0	0	0	112.2	F279 Y285 Q289	F279-V283 HydrophobicContact CD1-CG2 4.41Å; F279-V283 HydrophobicContact CD2-CG2 4.25Å; F279-V283 HydrophobicContact CE1-CG2 4.04Å; F279-V283 HydrophobicContact CE2-CG2 3.86Å; F279-V283 HydrophobicContact CZ-CG2 3.76Å; F279-V283 WeakPolarHBondContact O-CB 3.42Å; F279-V283 WeakPolarHBondContact O-CG2 3.24Å; F279-V283 PolarHBondContact O-N 2.92Å; V283-Y285 VanDerWaalsContact C-N 3.26Å; V283-Y285 PolarHBondContact O-N 3.44Å; V283-Q289 WeakPolarHBondContact O-CG 3.47Å; V283-Q289 PolarHBondContact O-NE2 2.79Å
284	G	86.2	Confident	83.4	Confident	49 Å²	49	78.4 Å²	78.4	51%	0.505	39%	0.389	S	S	.	.	H	α-helix	trans	-71.6	-17.1	174.5	0	0	0	0	0	113.8	F280 T282 R286	F280-G284 WeakPolarHBondContact O-CA 3.21Å; F280-G284 PolarHBondContact O-N 3.11Å; T282-G284 VanDerWaalsContact C-N 3.32Å; T282-G284 PolarHBondContact O-N 3.13Å; G284-R286 PolarHBondContact O-N 3.29Å
285	Y	87.3	Confident	83.7	Confident	91 Å²	91	76.3 Å²	76.3	36%	0.357	38%	0.381	S	S	.	.			trans	-69.3	115.6	179.8	-175.5	-119.9	0	0	0	111.3	E281 T282 V283 G287 L288 Q289 L340 D341	E281-Y285 PolarHBondContact O-N 2.93Å; T282-Y285 WeakPolarHBondContact O-CB 3.36Å; T282-Y285 PolarHBondContact O-N 3.26Å; V283-Y285 VanDerWaalsContact C-N 3.26Å; V283-Y285 PolarHBondContact O-N 3.44Å; Y285-G287 PolarHBondContact O-N 3.38Å; Y285-G287 VanDerWaalsContact O-N 3.15Å; Y285-L288 HydrophobicContact CD1-CB 4.17Å; Y285-L288 WeakPolarHBondContact O-CB 3.5Å; Y285-L288 PolarHBondContact O-N 3.37Å; Y285-Q289 PolarHBondContact O-N 3.37Å; Y285-Q289 VanDerWaalsContact O-N 3.13Å; Y285-L340 HydrophobicContact CD1-CD2 4.2Å; Y285-L340 HydrophobicContact CE1-CB 4.28Å; Y285-L340 HydrophobicContact CE1-CD2 4.01Å; Y285-L340 HydrophobicContact CE1-CG 4.1Å; Y285-L340 PolarHBondContact OH-O 3.03Å; Y285-D341 PolarHBondContact OH-O 3.35Å
286	R	88.7	Confident	84	Confident	167 Å²	167	78.7 Å²	78.7	63%	0.63	39%	0.392	S	S	*	.	H	α-helix	trans	-54.8	-36.4	-177.1	-173.2	173.8	-176.5	158.7	-1.9	113.8	G284 L288 Q289 K290	G284-R286 PolarHBondContact O-N 3.29Å; R286-L288 VanDerWaalsContact C-N 3.34Å; R286-Q289 PolarHBondContact O-N 2.93Å; R286-K290 WeakPolarHBondContact O-CG 3.07Å; R286-K290 PolarHBondContact O-N 2.94Å; R286-K290 VanDerWaalsContact O-N 3.1Å
287	G	87.9	Confident	84.1	Confident	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.399	C	S	.	.	H	α-helix	trans	-60.9	-43.2	175.4	0	0	0	0	0	112	Y285 K290 L291 L340 D341 G344	Y285-G287 PolarHBondContact O-N 3.38Å; Y285-G287 VanDerWaalsContact O-N 3.15Å; G287-K290 PolarHBondContact O-N 3.01Å; G287-L291 WeakPolarHBondContact O-CB 3.48Å; G287-L291 PolarHBondContact O-N 3.25Å; G287-L340 VanDerWaalsContact C-CD2 3.45Å; G287-D341 VanDerWaalsContact CA-O 3.26Å; G287-D341 WeakPolarHBondContact CA-O 3.28Å; G287-G344 WeakPolarHBondContact O-CA 3.46Å
288	L	86.3	Confident	83.9	Confident	23 Å²	23	76.5 Å²	76.5	12%	0.12	39%	0.385	C	S	.	.	H	α-helix	trans	-67	-41.6	178.5	-176.9	64.6	0	0	0	111.6	L262 T282 Y285 R286 K290 L291 A292 L340	L262-L288 HydrophobicContact CD2-CD2 4.48Å; T282-L288 HydrophobicContact CG2-CD2 3.46Å; T282-L288 VanDerWaalsContact CG2-CD2 3.46Å; T282-L288 WeakPolarHBondContact O-CD2 3.49Å; Y285-L288 HydrophobicContact CD1-CB 4.17Å; Y285-L288 WeakPolarHBondContact O-CB 3.5Å; Y285-L288 PolarHBondContact O-N 3.37Å; R286-L288 VanDerWaalsContact C-N 3.34Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 2.91Å; L288-L291 HydrophobicContact CD1-CD2 4.34Å; L288-L291 PolarHBondContact O-N 3.31Å; L288-A292 VanDerWaalsContact O-CB 3.27Å; L288-A292 WeakPolarHBondContact O-CB 3.47Å; L288-A292 PolarHBondContact O-N 3.07Å; L288-L340 HydrophobicContact CB-CD2 4.09Å; L288-L340 HydrophobicContact CD1-CD2 4.38Å
289	Q	88.4	Confident	83.8	Confident	95 Å²	95	77 Å²	77	44%	0.444	40%	0.395	S	S	.	.	H	α-helix	trans	-57.3	-47	176.2	-65.4	172	-5.3	0	0	111.2	V283 Y285 R286 A292 V293	V283-Q289 WeakPolarHBondContact O-CG 3.47Å; V283-Q289 PolarHBondContact O-NE2 2.79Å; Y285-Q289 PolarHBondContact O-N 3.37Å; Y285-Q289 VanDerWaalsContact O-N 3.13Å; R286-Q289 PolarHBondContact O-N 2.93Å; Q289-A292 PolarHBondContact O-N 3.37Å; Q289-V293 WeakPolarHBondContact O-CG2 3.33Å; Q289-V293 PolarHBondContact O-N 3.11Å
290	K	88.3	Confident	83.9	Confident	73 Å²	73	79.1 Å²	79.1	32%	0.317	41%	0.407	S	S	.	.	H	α-helix	trans	-63.7	-43.9	176.9	-72	-178.3	-177.8	171.6	0	112.5	R286 G287 L288 A292 V293 K294 R342 E343	R286-K290 WeakPolarHBondContact O-CG 3.07Å; R286-K290 PolarHBondContact O-N 2.94Å; R286-K290 VanDerWaalsContact O-N 3.1Å; G287-K290 PolarHBondContact O-N 3.01Å; L288-K290 VanDerWaalsContact C-N 3.33Å; L288-K290 PolarHBondContact O-N 2.91Å; K290-A292 VanDerWaalsContact C-N 3.34Å; K290-A292 PolarHBondContact O-N 3.27Å; K290-V293 PolarHBondContact O-N 3.42Å; K290-K294 WeakPolarHBondContact O-CB 3.48Å; K290-K294 PolarHBondContact O-N 3.32Å; K290-R342 WeakPolarHBondContact CD-O 3.34Å; K290-R342 PolarHBondContact NZ-O 2.92Å; K290-E343 VanDerWaalsContact CD-O 3.23Å; K290-E343 WeakPolarHBondContact CD-O 3.35Å
291	L	86	Confident	83.7	Confident	14 Å²	14	74.4 Å²	74.4	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-60.6	-45.2	176.3	-176.6	77.1	0	0	0	111.2	G287 L288 K294 H295 L340 G344 L346	G287-L291 WeakPolarHBondContact O-CB 3.48Å; G287-L291 PolarHBondContact O-N 3.25Å; L288-L291 HydrophobicContact CD1-CD2 4.34Å; L288-L291 PolarHBondContact O-N 3.31Å; L291-K294 PolarHBondContact O-N 3.47Å; L291-H295 PolarHBondContact O-CD2 3.23Å; L291-H295 PolarHBondContact O-N 2.83Å; L291-L340 HydrophobicContact CB-CD1 4.22Å; L291-L340 HydrophobicContact CB-CD2 4.39Å; L291-L340 HydrophobicContact CD1-CD1 4.3Å; L291-L340 HydrophobicContact CD2-CD1 4.06Å; L291-L340 HydrophobicContact CD2-CD2 4.19Å; L291-L340 HydrophobicContact CG-CD1 4.43Å; L291-G344 WeakPolarHBondContact CD1-O 3.46Å; L291-L346 HydrophobicContact CD1-CD2 4.43Å; L291-L346 HydrophobicContact CD1-CG 4.42Å; L291-L346 HydrophobicContact CD2-CD2 4.19Å
292	A	85.6	Confident	83.4	Confident	48 Å²	48	69 Å²	69	40%	0.397	37%	0.366	S	S	.	.	H	α-helix	trans	-62.5	-44.5	179.8	0	0	0	0	0	111.4	L288 Q289 K290 K294 H295 F296	L288-A292 VanDerWaalsContact O-CB 3.27Å; L288-A292 WeakPolarHBondContact O-CB 3.47Å; L288-A292 PolarHBondContact O-N 3.07Å; Q289-A292 PolarHBondContact O-N 3.37Å; K290-A292 VanDerWaalsContact C-N 3.34Å; K290-A292 PolarHBondContact O-N 3.27Å; A292-K294 VanDerWaalsContact C-N 3.34Å; A292-K294 PolarHBondContact O-N 3.37Å; A292-H295 CarbonylContact O-C 3.53Å; A292-H295 PolarHBondContact O-N 3.1Å; A292-F296 WeakPolarHBondContact O-CA 3.32Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.45Å; A292-F296 PolarHBondContact O-N 3.14Å
293	V	87.2	Confident	83.3	Confident	124 Å²	124	70.6 Å²	70.6	75%	0.752	37%	0.371	S	S	*	.	H	α-helix	trans	-60.2	-44.8	174.4	170.5	0	0	0	0	111.1	Q289 K290 H295	Q289-V293 WeakPolarHBondContact O-CG2 3.33Å; Q289-V293 PolarHBondContact O-N 3.11Å; K290-V293 PolarHBondContact O-N 3.42Å; V293-H295 VanDerWaalsContact C-N 3.33Å; V293-H295 PolarHBondContact O-N 3.03Å
294	K	82.7	Confident	83.2	Confident	154 Å²	154	73.8 Å²	73.8	67%	0.67	38%	0.377	S	S	*	.	H	α-helix	trans	-67	-32.1	-178.2	-169.6	176.9	-179.2	179.8	0	113.4	K290 L291 A292	K290-K294 WeakPolarHBondContact O-CB 3.48Å; K290-K294 PolarHBondContact O-N 3.32Å; L291-K294 PolarHBondContact O-N 3.47Å; A292-K294 VanDerWaalsContact C-N 3.34Å; A292-K294 PolarHBondContact O-N 3.37Å
295	H	81.6	Confident	83	Confident	64 Å²	64	73 Å²	73	30%	0.296	36%	0.359	S	S	.	.	H	α-helix	trans	-121	20.8	-172.8	-62.3	-70.7	0	0	0	113.8	F241 L291 A292 V293 A297 Y298 G299	F241-H295 HydrophobicContact CZ-CB 4.06Å; F241-H295 AromaticContact CZ-CG 3.96Å; L291-H295 PolarHBondContact O-CD2 3.23Å; L291-H295 PolarHBondContact O-N 2.83Å; A292-H295 CarbonylContact O-C 3.53Å; A292-H295 PolarHBondContact O-N 3.1Å; V293-H295 VanDerWaalsContact C-N 3.33Å; V293-H295 PolarHBondContact O-N 3.03Å; H295-A297 PolarHBondContact O-N 3.39Å; H295-Y298 PolarHBondContact O-N 3.39Å; H295-G299 PolarHBondContact O-N 3.49Å
296	F	82.4	Confident	82.6	Confident	133 Å²	133	69 Å²	69	58%	0.583	34%	0.344	S	S	*	.	H	α-helix	trans	-54.8	-56	-170.4	-175.9	-107.7	0	0	0	113.3	A292 Y298 G299 L300	A292-F296 WeakPolarHBondContact O-CA 3.32Å; A292-F296 VanDerWaalsContact O-CB 3.25Å; A292-F296 WeakPolarHBondContact O-CB 3.45Å; A292-F296 PolarHBondContact O-N 3.14Å; F296-Y298 VanDerWaalsContact C-N 3.29Å; F296-Y298 PolarHBondContact O-N 3.47Å; F296-G299 PolarHBondContact O-N 3.01Å; F296-L300 HydrophobicContact CD1-CD1 3.95Å; F296-L300 HydrophobicContact CE1-CD1 3.35Å; F296-L300 HydrophobicContact CE1-CG 4.21Å; F296-L300 HydrophobicContact CE2-CD1 4.27Å; F296-L300 HydrophobicContact CE2-CG 4.37Å; F296-L300 HydrophobicContact CZ-CD1 3.54Å; F296-L300 HydrophobicContact CZ-CD2 4.48Å; F296-L300 HydrophobicContact CZ-CG 4.11Å; F296-L300 PolarHBondContact O-N 3.03Å
297	A	80	Confident	82.3	Confident	79 Å²	79	65.4 Å²	65.4	65%	0.653	34%	0.337	S	S	*	.	H	α-helix	trans	-60.4	-40.3	-178.7	0	0	0	0	0	112.1	H295 S301	H295-A297 PolarHBondContact O-N 3.39Å; A297-S301 PolarHBondContact O-N 3.19Å; A297-S301 VanDerWaalsContact O-N 3.13Å
298	Y	74.6	Confident	82.2	Confident	92 Å²	92	70.5 Å²	70.5	36%	0.361	36%	0.359	S	S	.	.	H	α-helix	trans	-66.3	-46.6	177	-178.1	-93.5	0	0	0	111.4	F241 H295 F296 L300 S301 E302	F241-Y298 AromaticContact CD1-CD1 3.94Å; F241-Y298 HydrophobicContact CD1-CD1 3.94Å; F241-Y298 AromaticContact CD1-CE1 3.42Å; F241-Y298 HydrophobicContact CD1-CE1 3.42Å; F241-Y298 VanDerWaalsContact CD1-CE1 3.42Å; F241-Y298 AromaticContact CE1-CD1 3.66Å; F241-Y298 HydrophobicContact CE1-CD1 3.66Å; F241-Y298 AromaticContact CE1-CE1 3.66Å; F241-Y298 HydrophobicContact CE1-CE1 3.66Å; F241-Y298 HydrophobicContact CG-CE1 4.38Å; H295-Y298 PolarHBondContact O-N 3.39Å; F296-Y298 VanDerWaalsContact C-N 3.29Å; F296-Y298 PolarHBondContact O-N 3.47Å; Y298-L300 PolarHBondContact O-N 2.89Å; Y298-S301 WeakPolarHBondContact O-CB 3.18Å; Y298-S301 PolarHBondContact O-N 3.19Å; Y298-S301 VanDerWaalsContact O-N 3.11Å; Y298-S301 PolarHBondContact O-OG 3.17Å; Y298-E302 HydrophobicContact CD1-CG 4.27Å; Y298-E302 HydrophobicContact CE1-CG 3.73Å; Y298-E302 PolarHBondContact O-N 3.19Å; Y298-E302 PolarHBondContact OH-OE1 3.26Å
299	G	76.7	Confident	82.2	Confident	24 Å²	24	71.3 Å²	71.3	25%	0.247	36%	0.363	C	S	.	.	H	α-helix	trans	-59	-44.4	177.1	0	0	0	0	0	113	H295 F296 S301 E302 F303	H295-G299 PolarHBondContact O-N 3.49Å; F296-G299 PolarHBondContact O-N 3.01Å; G299-S301 VanDerWaalsContact C-N 3.29Å; G299-S301 PolarHBondContact O-N 2.92Å; G299-E302 PolarHBondContact O-N 3.22Å; G299-F303 WeakPolarHBondContact O-CD2 3.28Å; G299-F303 PolarHBondContact O-N 3.29Å
300	L	80.6	Confident	82.3	Confident	95 Å²	95	75.4 Å²	75.4	50%	0.497	37%	0.374	S	S	.	.	H	α-helix	trans	-59.3	-40.8	173.8	-76.7	-179.2	0	0	0	112.2	F296 Y298 E302 F303 Y304	F296-L300 HydrophobicContact CD1-CD1 3.95Å; F296-L300 HydrophobicContact CE1-CD1 3.35Å; F296-L300 HydrophobicContact CE1-CG 4.21Å; F296-L300 HydrophobicContact CE2-CD1 4.27Å; F296-L300 HydrophobicContact CE2-CG 4.37Å; F296-L300 HydrophobicContact CZ-CD1 3.54Å; F296-L300 HydrophobicContact CZ-CD2 4.48Å; F296-L300 HydrophobicContact CZ-CG 4.11Å; F296-L300 PolarHBondContact O-N 3.03Å; Y298-L300 PolarHBondContact O-N 2.89Å; L300-E302 VanDerWaalsContact C-N 3.31Å; L300-E302 PolarHBondContact O-N 2.68Å; L300-F303 PolarHBondContact O-N 3.49Å; L300-Y304 WeakPolarHBondContact O-CB 3.48Å; L300-Y304 PolarHBondContact O-N 3.25Å
301	S	78.4	Confident	82.2	Confident	33 Å²	33	73.8 Å²	73.8	23%	0.231	37%	0.37	C	S	.	.	H	α-helix	trans	-65.3	-34.9	178.8	82.4	0	0	0	0	112.5	A297 Y298 G299 R305	A297-S301 PolarHBondContact O-N 3.19Å; A297-S301 VanDerWaalsContact O-N 3.13Å; Y298-S301 WeakPolarHBondContact O-CB 3.18Å; Y298-S301 PolarHBondContact O-N 3.19Å; Y298-S301 VanDerWaalsContact O-N 3.11Å; Y298-S301 PolarHBondContact O-OG 3.17Å; G299-S301 VanDerWaalsContact C-N 3.29Å; G299-S301 PolarHBondContact O-N 2.92Å; S301-R305 WeakPolarHBondContact O-CB 3.32Å; S301-R305 WeakPolarHBondContact O-CG 3.39Å; S301-R305 PolarHBondContact O-N 3.21Å; S301-R305 PolarHBondContact O-NH1 3.02Å; S301-R305 PolarHBondContact OG-NH1 2.93Å; S301-R305 PolarHBondContact OG-NH2 3.47Å
302	E	77.9	Confident	82.4	Confident	6 Å²	6	73.6 Å²	73.6	3%	0.028	37%	0.369	C	S	.	.	H	α-helix	trans	-69.9	-42.3	174	-72.6	-69.4	135.1	0	0	111.6	Y298 G299 L300 Y304 R305 S306	Y298-E302 HydrophobicContact CD1-CG 4.27Å; Y298-E302 HydrophobicContact CE1-CG 3.73Å; Y298-E302 PolarHBondContact O-N 3.19Å; Y298-E302 PolarHBondContact OH-OE1 3.26Å; G299-E302 PolarHBondContact O-N 3.22Å; L300-E302 VanDerWaalsContact C-N 3.31Å; L300-E302 PolarHBondContact O-N 2.68Å; E302-Y304 PolarHBondContact O-N 2.94Å; E302-R305 PolarHBondContact O-N 3.48Å; E302-R305 IonicContact OE1-CZ 3.67Å; E302-R305 IonicContact OE1-NE 2.65Å; E302-R305 PolarHBondContact OE1-NE 2.93Å; E302-R305 IonicContact OE1-NH2 3.16Å; E302-R305 PolarHBondContact OE1-NH2 2.93Å; E302-S306 WeakPolarHBondContact O-CB 3.22Å; E302-S306 PolarHBondContact O-N 2.89Å
303	F	79	Confident	82.7	Confident	60 Å²	60	71.7 Å²	71.7	26%	0.263	35%	0.352	S	S	.	.	H	α-helix	trans	-59.3	-46.6	173	-93.8	-81.7	0	0	0	111.9	V261 L262 F264 G299 L300 R305 S306 I307	V261-F303 HydrophobicContact CB-CD1 3.96Å; V261-F303 HydrophobicContact CB-CD2 4.26Å; V261-F303 HydrophobicContact CB-CE1 3.68Å; V261-F303 HydrophobicContact CB-CE2 3.99Å; V261-F303 HydrophobicContact CB-CG 4.26Å; V261-F303 HydrophobicContact CB-CZ 3.7Å; V261-F303 HydrophobicContact CG1-CB 4.37Å; V261-F303 HydrophobicContact CG1-CD1 3.8Å; V261-F303 HydrophobicContact CG1-CD2 4.02Å; V261-F303 HydrophobicContact CG1-CE1 4.07Å; V261-F303 HydrophobicContact CG1-CE2 4.26Å; V261-F303 HydrophobicContact CG1-CG 3.79Å; V261-F303 HydrophobicContact CG1-CZ 4.3Å; V261-F303 HydrophobicContact CG2-CE1 4.41Å; L262-F303 HydrophobicContact CB-CE2 4.4Å; L262-F303 HydrophobicContact CB-CZ 4.04Å; F264-F303 HydrophobicContact CZ-CE1 4.28Å; F264-F303 HydrophobicContact CZ-CZ 4.47Å; G299-F303 WeakPolarHBondContact O-CD2 3.28Å; G299-F303 PolarHBondContact O-N 3.29Å; L300-F303 PolarHBondContact O-N 3.49Å; F303-R305 VanDerWaalsContact C-N 3.34Å; F303-R305 PolarHBondContact O-N 3.24Å; F303-S306 PolarHBondContact O-N 2.88Å; F303-I307 WeakPolarHBondContact O-CG1 3.2Å; F303-I307 PolarHBondContact O-N 2.83Å
304	Y	82.1	Confident	82.9	Confident	126 Å²	126	72.9 Å²	72.9	49%	0.494	35%	0.347	S	S	.	.	H	α-helix	trans	-58.4	-45.9	176.6	179.7	-111	0	0	0	111.5	L300 E302 S306 I307 F308 V311	L300-Y304 WeakPolarHBondContact O-CB 3.48Å; L300-Y304 PolarHBondContact O-N 3.25Å; E302-Y304 PolarHBondContact O-N 2.94Å; Y304-S306 PolarHBondContact O-N 3.49Å; Y304-I307 PolarHBondContact O-N 3.39Å; Y304-F308 AromaticContact CD2-CD2 3.32Å; Y304-F308 HydrophobicContact CD2-CD2 3.32Å; Y304-F308 AromaticContact CD2-CE2 3.55Å; Y304-F308 HydrophobicContact CD2-CE2 3.55Å; Y304-F308 HydrophobicContact CD2-CG 4.45Å; Y304-F308 AromaticContact CE2-CD2 3.2Å; Y304-F308 HydrophobicContact CE2-CD2 3.2Å; Y304-F308 AromaticContact CE2-CE2 3.4Å; Y304-F308 HydrophobicContact CE2-CE2 3.4Å; Y304-F308 HydrophobicContact CE2-CG 4.07Å; Y304-F308 HydrophobicContact CE2-CZ 4.38Å; Y304-F308 HydrophobicContact CG-CD2 4.15Å; Y304-F308 AromaticContact CZ-CD2 3.99Å; Y304-F308 WeakPolarHBondContact O-CB 3.37Å; Y304-F308 WeakPolarHBondContact O-CD2 3.43Å; Y304-F308 PolarHBondContact O-N 2.61Å; Y304-V311 HydrophobicContact CD1-CG1 3.99Å; Y304-V311 HydrophobicContact CD1-CG2 4.32Å; Y304-V311 HydrophobicContact CE1-CB 4.1Å; Y304-V311 HydrophobicContact CE1-CG1 3.69Å; Y304-V311 HydrophobicContact CE1-CG2 3.5Å
305	R	82	Confident	83.2	Confident	33 Å²	33	67.4 Å²	67.4	13%	0.125	32%	0.324	C	S	.	.	H	α-helix	trans	-64.6	-37.4	176	-79.1	-170.7	-69.8	-80.4	3.6	113.7	S301 E302 F303 I307 F308 V311	S301-R305 WeakPolarHBondContact O-CB 3.32Å; S301-R305 WeakPolarHBondContact O-CG 3.39Å; S301-R305 PolarHBondContact O-N 3.21Å; S301-R305 PolarHBondContact O-NH1 3.02Å; S301-R305 PolarHBondContact OG-NH1 2.93Å; S301-R305 PolarHBondContact OG-NH2 3.47Å; E302-R305 PolarHBondContact O-N 3.48Å; E302-R305 IonicContact OE1-CZ 3.67Å; E302-R305 IonicContact OE1-NE 2.65Å; E302-R305 PolarHBondContact OE1-NE 2.93Å; E302-R305 IonicContact OE1-NH2 3.16Å; E302-R305 PolarHBondContact OE1-NH2 2.93Å; F303-R305 VanDerWaalsContact C-N 3.34Å; F303-R305 PolarHBondContact O-N 3.24Å; R305-I307 VanDerWaalsContact C-N 3.34Å; R305-F308 CarbonylContact O-C 3.5Å; R305-V311 HydrophobicContact CG-CB 4.49Å; R305-V311 HydrophobicContact CG-CG1 3.86Å
306	S	78.7	Confident	83.7	Confident	7 Å²	7	64.5 Å²	64.5	5%	0.049	31%	0.311	C	S	.	.	H	α-helix	trans	-67.1	-35	177.8	-170.7	0	0	0	0	112.7	N259 Y271 E302 F303 Y304	N259-S306 WeakPolarHBondContact OD1-CA 3.49Å; Y271-S306 PolarHBondContact OH-O 2.65Å; Y271-S306 VanDerWaalsContact OH-O 3.1Å; Y271-S306 PolarHBondContact OH-OG 3.07Å; E302-S306 WeakPolarHBondContact O-CB 3.22Å; E302-S306 PolarHBondContact O-N 2.89Å; F303-S306 PolarHBondContact O-N 2.88Å; Y304-S306 PolarHBondContact O-N 3.49Å
307	I	82.3	Confident	84.3	Confident	91 Å²	91	61.4 Å²	61.4	47%	0.467	30%	0.298	S	S	.	.	H	α-helix	trans	-78	-48.4	177.2	-66.2	169.1	0	0	0	110.4	F303 Y304 R305 R330	F303-I307 WeakPolarHBondContact O-CG1 3.2Å; F303-I307 PolarHBondContact O-N 2.83Å; Y304-I307 PolarHBondContact O-N 3.39Å; R305-I307 VanDerWaalsContact C-N 3.34Å; I307-R330 PolarHBondContact O-NH2 2.92Å
308	F	85	Confident	84.9	Confident	107 Å²	107	61.8 Å²	61.8	47%	0.469	28%	0.283	S	S	.	.			trans	-100.1	89.1	-174.2	-62.9	-77.7	0	0	0	111.9	Y304 R305 R310 V311 Q312	Y304-F308 AromaticContact CD2-CD2 3.32Å; Y304-F308 HydrophobicContact CD2-CD2 3.32Å; Y304-F308 AromaticContact CD2-CE2 3.55Å; Y304-F308 HydrophobicContact CD2-CE2 3.55Å; Y304-F308 HydrophobicContact CD2-CG 4.45Å; Y304-F308 AromaticContact CE2-CD2 3.2Å; Y304-F308 HydrophobicContact CE2-CD2 3.2Å; Y304-F308 AromaticContact CE2-CE2 3.4Å; Y304-F308 HydrophobicContact CE2-CE2 3.4Å; Y304-F308 HydrophobicContact CE2-CG 4.07Å; Y304-F308 HydrophobicContact CE2-CZ 4.38Å; Y304-F308 HydrophobicContact CG-CD2 4.15Å; Y304-F308 AromaticContact CZ-CD2 3.99Å; Y304-F308 WeakPolarHBondContact O-CB 3.37Å; Y304-F308 WeakPolarHBondContact O-CD2 3.43Å; Y304-F308 PolarHBondContact O-N 2.61Å; R305-F308 CarbonylContact O-C 3.5Å; F308-R310 PolarHBondContact O-N 3.14Å; F308-R310 VanDerWaalsContact O-N 3.07Å; F308-V311 HydrophobicContact CB-CB 4.32Å; F308-V311 HydrophobicContact CB-CG2 3.73Å; F308-V311 WeakPolarHBondContact O-CB 3.4Å; F308-V311 PolarHBondContact O-N 2.91Å; F308-Q312 PolarHBondContact O-N 2.99Å
309	I	86.3	Confident	85.8	Confident	39 Å²	39	59.1 Å²	59.1	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-51.1	-37.4	179.9	-62.5	171.8	0	0	0	112.5	V311 Q312 V313 Y325 V328 R330	I309-V311 PolarHBondContact O-N 3.25Å; I309-Q312 WeakPolarHBondContact O-CA 3.34Å; I309-Q312 WeakPolarHBondContact O-CB 3.36Å; I309-Q312 PolarHBondContact O-N 3.38Å; I309-Q312 VanDerWaalsContact O-N 3.08Å; I309-V313 HydrophobicContact CG2-CG2 4.16Å; I309-V313 WeakPolarHBondContact O-CG2 3.45Å; I309-V313 PolarHBondContact O-N 2.65Å; I309-Y325 HydrophobicContact CB-CE2 3.99Å; I309-Y325 HydrophobicContact CG2-CD2 4Å; I309-Y325 HydrophobicContact CG2-CE2 3.77Å; I309-V328 HydrophobicContact CG2-CG2 3.65Å; I309-R330 HydrophobicContact CD1-CG 3.73Å
310	R	90.3	Very high	86.7	Confident	181 Å²	181	59.3 Å²	59.3	68%	0.683	27%	0.268	S	S	*	.	H	α-helix	trans	-58	-34.4	177	-70.9	-176.9	176.1	172.1	-1.5	113.1	F308 K314 Y325	F308-R310 PolarHBondContact O-N 3.14Å; F308-R310 VanDerWaalsContact O-N 3.07Å; R310-K314 WeakPolarHBondContact O-CG 3.26Å; R310-K314 PolarHBondContact O-N 3.49Å; R310-K314 VanDerWaalsContact O-N 3.17Å; R310-Y325 HydrophobicContact CG-CD2 3.66Å; R310-Y325 HydrophobicContact CG-CE2 3.96Å; R310-Y325 HydrophobicContact CG-CG 4.34Å
311	V	87.9	Confident	87.3	Confident	39 Å²	39	57.8 Å²	57.8	24%	0.236	26%	0.263	C	S	.	.	H	α-helix	trans	-74.1	-39.5	177.5	-175.3	0	0	0	0	109.9	Y304 R305 F308 I309 K314 Q315	Y304-V311 HydrophobicContact CD1-CG1 3.99Å; Y304-V311 HydrophobicContact CD1-CG2 4.32Å; Y304-V311 HydrophobicContact CE1-CB 4.1Å; Y304-V311 HydrophobicContact CE1-CG1 3.69Å; Y304-V311 HydrophobicContact CE1-CG2 3.5Å; R305-V311 HydrophobicContact CG-CB 4.49Å; R305-V311 HydrophobicContact CG-CG1 3.86Å; F308-V311 HydrophobicContact CB-CB 4.32Å; F308-V311 HydrophobicContact CB-CG2 3.73Å; F308-V311 WeakPolarHBondContact O-CB 3.4Å; F308-V311 PolarHBondContact O-N 2.91Å; I309-V311 PolarHBondContact O-N 3.25Å; V311-K314 PolarHBondContact O-N 3.32Å; V311-Q315 PolarHBondContact O-N 3.49Å; V311-Q315 VanDerWaalsContact O-N 3.15Å
312	Q	88.4	Confident	88	Confident	11 Å²	11	59.9 Å²	59.9	5%	0.051	28%	0.278	C	S	.	.	H	α-helix	trans	-61.3	-45.2	172.9	-172.6	58.9	41.2	0	0	111.5	P258 F308 I309 K314 Q315 L316	P258-Q312 PolarHBondContact O-OE1 3.01Å; F308-Q312 PolarHBondContact O-N 2.99Å; I309-Q312 WeakPolarHBondContact O-CA 3.34Å; I309-Q312 WeakPolarHBondContact O-CB 3.36Å; I309-Q312 PolarHBondContact O-N 3.38Å; I309-Q312 VanDerWaalsContact O-N 3.08Å; Q312-K314 VanDerWaalsContact C-N 3.32Å; Q312-K314 PolarHBondContact O-N 3.32Å; Q312-Q315 WeakPolarHBondContact O-CB 3.3Å; Q312-Q315 PolarHBondContact O-N 2.9Å; Q312-L316 HydrophobicContact CG-CD1 4.14Å; Q312-L316 HydrophobicContact CG-CG 4.48Å; Q312-L316 VanDerWaalsContact O-CG 3.31Å; Q312-L316 WeakPolarHBondContact O-CG 3.5Å; Q312-L316 PolarHBondContact O-N 2.91Å
313	V	91.9	Very high	88.8	Confident	7 Å²	7	60.6 Å²	60.6	4%	0.042	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-45.3	176.1	172.6	0	0	0	0	110.9	I309 Q315 L316 Q317 V328	I309-V313 HydrophobicContact CG2-CG2 4.16Å; I309-V313 WeakPolarHBondContact O-CG2 3.45Å; I309-V313 PolarHBondContact O-N 2.65Å; V313-Q315 VanDerWaalsContact C-N 3.26Å; V313-Q315 PolarHBondContact O-N 3.25Å; V313-L316 WeakPolarHBondContact O-CB 3.39Å; V313-L316 PolarHBondContact O-N 3.32Å; V313-L316 VanDerWaalsContact O-N 3.1Å; V313-Q317 HydrophobicContact CG1-CG 4.23Å; V313-Q317 WeakPolarHBondContact O-CG 3.39Å; V313-Q317 PolarHBondContact O-N 2.84Å; V313-V328 HydrophobicContact CG2-CB 4.47Å; V313-V328 HydrophobicContact CG2-CG1 4.21Å; V313-V328 HydrophobicContact CG2-CG2 3.47Å; V313-V328 VanDerWaalsContact CG2-CG2 3.47Å
314	K	91.7	Very high	89.5	Confident	149 Å²	149	59.4 Å²	59.4	65%	0.648	28%	0.281	S	S	*	.	H	α-helix	trans	-58.6	-36.6	175.1	-75.1	-176.1	177.6	-171.7	0	113.1	R310 V311 Q312	R310-K314 WeakPolarHBondContact O-CG 3.26Å; R310-K314 PolarHBondContact O-N 3.49Å; R310-K314 VanDerWaalsContact O-N 3.17Å; V311-K314 PolarHBondContact O-N 3.32Å; Q312-K314 VanDerWaalsContact C-N 3.32Å; Q312-K314 PolarHBondContact O-N 3.32Å
315	Q	89.1	Confident	89.9	Confident	40 Å²	40	59.3 Å²	59.3	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-67.9	-41.2	175.6	-170.7	-178.3	27.6	0	0	111.7	V244 V311 Q312 V313 R318	V244-Q315 HydrophobicContact CG2-CG 3.87Å; V311-Q315 PolarHBondContact O-N 3.49Å; V311-Q315 VanDerWaalsContact O-N 3.15Å; Q312-Q315 WeakPolarHBondContact O-CB 3.3Å; Q312-Q315 PolarHBondContact O-N 2.9Å; V313-Q315 VanDerWaalsContact C-N 3.26Å; V313-Q315 PolarHBondContact O-N 3.25Å; Q315-R318 WeakPolarHBondContact O-CB 3.5Å; Q315-R318 PolarHBondContact O-N 3.01Å
316	L	92.5	Very high	90.4	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.016	31%	0.308	C	S	.	.	H	α-helix	trans	-68	-34.3	178	-64.9	170.2	0	0	0	112.2	V244 F246 L256 Q312 V313 R318 Y319 I320 L323	V244-L316 HydrophobicContact CG1-CD2 3.67Å; F246-L316 HydrophobicContact CE1-CB 4.37Å; F246-L316 HydrophobicContact CE1-CD2 4.21Å; F246-L316 HydrophobicContact CE2-CD2 4.05Å; F246-L316 HydrophobicContact CZ-CB 3.82Å; F246-L316 HydrophobicContact CZ-CD2 3.72Å; F246-L316 HydrophobicContact CZ-CG 4.32Å; L256-L316 HydrophobicContact CB-CD1 3.78Å; L256-L316 HydrophobicContact CB-CD2 4.42Å; L256-L316 HydrophobicContact CD1-CD1 3.96Å; L256-L316 HydrophobicContact CG-CD1 4.36Å; Q312-L316 HydrophobicContact CG-CD1 4.14Å; Q312-L316 HydrophobicContact CG-CG 4.48Å; Q312-L316 VanDerWaalsContact O-CG 3.31Å; Q312-L316 WeakPolarHBondContact O-CG 3.5Å; Q312-L316 PolarHBondContact O-N 2.91Å; V313-L316 WeakPolarHBondContact O-CB 3.39Å; V313-L316 PolarHBondContact O-N 3.32Å; V313-L316 VanDerWaalsContact O-N 3.1Å; L316-R318 PolarHBondContact O-N 3.46Å; L316-R318 VanDerWaalsContact O-N 3.11Å; L316-Y319 PolarHBondContact O-N 3.46Å; L316-I320 PolarHBondContact O-N 3.34Å; L316-I320 VanDerWaalsContact O-N 3.12Å; L316-L323 HydrophobicContact CB-CD2 3.58Å; L316-L323 HydrophobicContact CD1-CD2 3.85Å; L316-L323 HydrophobicContact CG-CD2 4.36Å
317	Q	95	Very high	91	Very high	68 Å²	68	67 Å²	67	32%	0.318	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.7	177.8	-80.8	177.4	-29.9	0	0	113.9	V313 Y319 I320 P321 L323	V313-Q317 HydrophobicContact CG1-CG 4.23Å; V313-Q317 WeakPolarHBondContact O-CG 3.39Å; V313-Q317 PolarHBondContact O-N 2.84Å; Q317-Y319 PolarHBondContact O-N 2.84Å; Q317-I320 WeakPolarHBondContact CA-O 3.42Å; Q317-I320 CarbonylContact O-C 3.57Å; Q317-P321 VanDerWaalsContact O-CA 3.29Å; Q317-P321 WeakPolarHBondContact O-CA 3.23Å; Q317-L323 HydrophobicContact CG-CB 4.43Å; Q317-L323 VanDerWaalsContact CG-O 3.3Å; Q317-L323 WeakPolarHBondContact CG-O 3.34Å; Q317-L323 PolarHBondContact NE2-O 2.87Å
318	R	93	Very high	91.5	Very high	87 Å²	87	63.5 Å²	63.5	33%	0.328	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-29.6	171.1	-66	171.6	64.8	-141.7	-10	112.1	V128 E129 E132 Q315 L316	V128-R318 WeakPolarHBondContact CG1-O 3.15Å; V128-R318 HydrophobicContact CG2-CB 4.22Å; E129-R318 IonicContact OE1-CZ 2.65Å; E129-R318 IonicContact OE1-NE 3.08Å; E129-R318 PolarHBondContact OE1-NE 2.83Å; E129-R318 VanDerWaalsContact OE1-NE 3.14Å; E129-R318 IonicContact OE1-NH2 3.88Å; E129-R318 PolarHBondContact OE1-NH2 2.87Å; E129-R318 IonicContact OE2-NH2 3.05Å; E132-R318 IonicContact OE1-CZ 3.41Å; E132-R318 IonicContact OE1-NH2 2.7Å; E132-R318 PolarHBondContact OE1-NH2 2.68Å; Q315-R318 WeakPolarHBondContact O-CB 3.5Å; Q315-R318 PolarHBondContact O-N 3.01Å; L316-R318 PolarHBondContact O-N 3.46Å; L316-R318 VanDerWaalsContact O-N 3.11Å
319	Y	93.4	Very high	91.6	Very high	35 Å²	35	64.5 Å²	64.5	14%	0.137	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-39.9	-179.8	-59	-88.4	0	0	0	112.5	V126 V128 C166 K167 V244 F246 L316 Q317	V126-Y319 HydrophobicContact CB-CD1 4.37Å; V128-Y319 HydrophobicContact CG1-CD1 3.5Å; V128-Y319 HydrophobicContact CG1-CE1 3.64Å; V128-Y319 HydrophobicContact CG1-CG 4.19Å; V128-Y319 HydrophobicContact CG2-CE1 4.05Å; C166-Y319 WeakPolarHBondContact CA-O 3.42Å; K167-Y319 PolarHBondContact N-O 3.19Å; V244-Y319 HydrophobicContact CB-CD2 4.21Å; V244-Y319 HydrophobicContact CB-CE2 3.55Å; V244-Y319 HydrophobicContact CG1-CD2 3.55Å; V244-Y319 HydrophobicContact CG1-CE2 3.43Å; V244-Y319 VanDerWaalsContact CG1-CE2 3.43Å; V244-Y319 HydrophobicContact CG1-CG 4.42Å; V244-Y319 HydrophobicContact CG2-CE2 3.91Å; F246-Y319 HydrophobicContact CE2-CD2 4.35Å; F246-Y319 HydrophobicContact CE2-CG 4.21Å; L316-Y319 PolarHBondContact O-N 3.46Å; Q317-Y319 PolarHBondContact O-N 2.84Å
320	I	94.5	Very high	91.6	Very high	29 Å²	29	69.3 Å²	69.3	15%	0.149	35%	0.345	C	S	.	.			trans	-126.8	86.9	178.8	-56.4	-173	0	0	0	108.9	F246 L316 Q317 S322 L323	F246-I320 HydrophobicContact CD1-CD1 3.62Å; F246-I320 HydrophobicContact CE1-CB 4.39Å; F246-I320 HydrophobicContact CE1-CD1 3.44Å; F246-I320 VanDerWaalsContact CE1-CD1 3.44Å; F246-I320 HydrophobicContact CE1-CG1 3.95Å; F246-I320 HydrophobicContact CE2-CD1 4.39Å; F246-I320 HydrophobicContact CE2-CG1 4.35Å; F246-I320 HydrophobicContact CG-CD1 4.19Å; F246-I320 HydrophobicContact CZ-CB 4.3Å; F246-I320 HydrophobicContact CZ-CD1 3.86Å; F246-I320 HydrophobicContact CZ-CG1 3.85Å; L316-I320 PolarHBondContact O-N 3.34Å; L316-I320 VanDerWaalsContact O-N 3.12Å; Q317-I320 WeakPolarHBondContact CA-O 3.42Å; Q317-I320 CarbonylContact O-C 3.57Å; I320-S322 PolarHBondContact O-N 3.2Å; I320-L323 HydrophobicContact CB-CB 4.31Å; I320-L323 HydrophobicContact CG2-CB 4.09Å; I320-L323 VanDerWaalsContact O-CB 3.25Å; I320-L323 WeakPolarHBondContact O-CB 3.16Å; I320-L323 PolarHBondContact O-N 2.65Å
321	P	94.1	Very high	91.1	Very high	62 Å²	62	63.3 Å²	63.3	40%	0.403	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.8	-172.4	-25.8	35.2	0	0	0	115	K167 Q317 L323	K167-P321 HydrophobicContact CD-CG 4.08Å; K167-P321 HydrophobicContact CG-CG 4.47Å; Q317-P321 VanDerWaalsContact O-CA 3.29Å; Q317-P321 WeakPolarHBondContact O-CA 3.23Å; P321-L323 VanDerWaalsContact C-N 3.27Å; P321-L323 PolarHBondContact O-N 2.85Å
322	S	94	Very high	90.6	Very high	78 Å²	78	66.8 Å²	66.8	55%	0.545	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-15.1	177.2	51.3	0	0	0	0	113.5	I320 S324	I320-S322 PolarHBondContact O-N 3.2Å; S322-S324 PolarHBondContact O-N 2.83Å
323	L	93.8	Very high	90.1	Very high	21 Å²	21	69.4 Å²	69.4	11%	0.11	37%	0.373	C	S	.	.			trans	-61.4	125.1	-178.8	-174.7	73.9	0	0	0	110	F246 L256 L316 Q317 I320 P321 D327 V328	F246-L323 HydrophobicContact CE1-CD2 4.29Å; L256-L323 HydrophobicContact CD1-CD2 4.47Å; L316-L323 HydrophobicContact CB-CD2 3.58Å; L316-L323 HydrophobicContact CD1-CD2 3.85Å; L316-L323 HydrophobicContact CG-CD2 4.36Å; Q317-L323 HydrophobicContact CG-CB 4.43Å; Q317-L323 VanDerWaalsContact CG-O 3.3Å; Q317-L323 WeakPolarHBondContact CG-O 3.34Å; Q317-L323 PolarHBondContact NE2-O 2.87Å; I320-L323 HydrophobicContact CB-CB 4.31Å; I320-L323 HydrophobicContact CG2-CB 4.09Å; I320-L323 VanDerWaalsContact O-CB 3.25Å; I320-L323 WeakPolarHBondContact O-CB 3.16Å; I320-L323 PolarHBondContact O-N 2.65Å; P321-L323 VanDerWaalsContact C-N 3.27Å; P321-L323 PolarHBondContact O-N 2.85Å; L323-D327 HydrophobicContact CD1-CB 3.94Å; L323-V328 HydrophobicContact CD1-CG1 3.98Å; L323-V328 HydrophobicContact CD2-CG1 4.22Å; L323-V328 HydrophobicContact CG-CG1 4.25Å
324	S	93.4	Very high	89.2	Confident	35 Å²	35	71.2 Å²	71.2	25%	0.245	39%	0.392	C	S	.	.			trans	-112.3	168.8	179.4	77.8	0	0	0	0	111.7	S322 S326 D327	S322-S324 PolarHBondContact O-N 2.83Å; S324-S326 VanDerWaalsContact C-N 3.28Å; S324-S326 PolarHBondContact O-N 2.85Å; S324-S326 PolarHBondContact OG-N 2.77Å; S324-S326 PolarHBondContact OG-OG 3.31Å; S324-D327 WeakPolarHBondContact CA-OD2 3.42Å; S324-D327 VanDerWaalsContact CB-OD2 3.31Å; S324-D327 WeakPolarHBondContact CB-OD2 3.31Å; S324-D327 PolarHBondContact N-OD2 3.47Å; S324-D327 PolarHBondContact O-N 3.31Å; S324-D327 PolarHBondContact OG-OD1 2.92Å; S324-D327 PolarHBondContact OG-OD2 3.28Å
325	Y	91.6	Very high	88.5	Confident	123 Å²	123	65.4 Å²	65.4	48%	0.482	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-64.7	-31.9	176.4	175.5	-94.9	0	0	0	112.8	I309 R310 D327 V328	I309-Y325 HydrophobicContact CB-CE2 3.99Å; I309-Y325 HydrophobicContact CG2-CD2 4Å; I309-Y325 HydrophobicContact CG2-CE2 3.77Å; R310-Y325 HydrophobicContact CG-CD2 3.66Å; R310-Y325 HydrophobicContact CG-CE2 3.96Å; R310-Y325 HydrophobicContact CG-CG 4.34Å; Y325-D327 PolarHBondContact O-N 2.9Å; Y325-V328 WeakPolarHBondContact O-CG2 3.14Å; Y325-V328 PolarHBondContact O-N 2.82Å
326	S	92.5	Very high	87.8	Confident	101 Å²	101	66.7 Å²	66.7	71%	0.706	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-69.8	-19.8	177.6	37.1	0	0	0	0	113.3	S324 V328	S324-S326 VanDerWaalsContact C-N 3.28Å; S324-S326 PolarHBondContact O-N 2.85Å; S324-S326 PolarHBondContact OG-N 2.77Å; S324-S326 PolarHBondContact OG-OG 3.31Å; S326-V328 VanDerWaalsContact C-N 3.27Å; S326-V328 PolarHBondContact O-N 3.19Å
327	D	91.3	Very high	87.2	Confident	101 Å²	101	68 Å²	68	54%	0.54	38%	0.383	S	S	.	.	G	3₁₀ helix	trans	-83.3	-6.7	-179.3	-52.1	-37.3	0	0	0	112.5	L323 S324 Y325	L323-D327 HydrophobicContact CD1-CB 3.94Å; S324-D327 WeakPolarHBondContact CA-OD2 3.42Å; S324-D327 VanDerWaalsContact CB-OD2 3.31Å; S324-D327 WeakPolarHBondContact CB-OD2 3.31Å; S324-D327 PolarHBondContact N-OD2 3.47Å; S324-D327 PolarHBondContact O-N 3.31Å; S324-D327 PolarHBondContact OG-OD1 2.92Å; S324-D327 PolarHBondContact OG-OD2 3.28Å; Y325-D327 PolarHBondContact O-N 2.9Å
328	V	91.4	Very high	86.6	Confident	17 Å²	17	65.2 Å²	65.2	10%	0.103	37%	0.371	C	S	.	.			trans	-120.7	139.1	-173.1	-54.4	0	0	0	0	112.3	L256 I309 V313 L323 Y325 S326	L256-V328 HydrophobicContact CD1-CB 4.2Å; L256-V328 HydrophobicContact CD1-CG1 3.4Å; L256-V328 VanDerWaalsContact CD1-CG1 3.4Å; I309-V328 HydrophobicContact CG2-CG2 3.65Å; V313-V328 HydrophobicContact CG2-CB 4.47Å; V313-V328 HydrophobicContact CG2-CG1 4.21Å; V313-V328 HydrophobicContact CG2-CG2 3.47Å; V313-V328 VanDerWaalsContact CG2-CG2 3.47Å; L323-V328 HydrophobicContact CD1-CG1 3.98Å; L323-V328 HydrophobicContact CD2-CG1 4.22Å; L323-V328 HydrophobicContact CG-CG1 4.25Å; Y325-V328 WeakPolarHBondContact O-CG2 3.14Å; Y325-V328 PolarHBondContact O-N 2.82Å; S326-V328 VanDerWaalsContact C-N 3.27Å; S326-V328 PolarHBondContact O-N 3.19Å
329	T	88.5	Confident	86.2	Confident	128 Å²	128	62.7 Å²	62.7	79%	0.785	37%	0.368	S	S	*	.			trans	-125.8	165.8	171	61.9	0	0	0	0	109.6	G331	T329-G331 PolarHBondContact O-N 2.76Å
330	R	85	Confident	85.9	Confident	141 Å²	141	62.3 Å²	62.3	53%	0.532	37%	0.368	S	S	.	.			trans	-66.2	122.3	174.5	-74.5	-173.3	175.9	-96	0.7	109.2	Y271 I307 I309	Y271-R330 PolarHBondContact OH-NH1 2.82Å; I307-R330 PolarHBondContact O-NH2 2.92Å; I309-R330 HydrophobicContact CD1-CG 3.73Å
331	G	79.5	Confident	85.5	Confident	54 Å²	54	63.3 Å²	63.3	56%	0.557	37%	0.374	S	S	*	.			trans	-81.8	-170.9	176.3	0	0	0	0	0	113.4	T329	T329-G331 PolarHBondContact O-N 2.76Å
332	L	77.7	Confident	85.3	Confident	112 Å²	112	69.1 Å²	69.1	59%	0.586	39%	0.388	S	S	*	.			trans	-68.9	142.8	178.5	-64.1	172.5	0	0	0	112.5
333	T	77.3	Confident	85	Confident	67 Å²	67	71 Å²	71	41%	0.411	39%	0.388	S	S	.	.			trans	-89.2	124.8	167.2	-48.4	0	0	0	0	110.6	Y269	Y269-T333 HydrophobicContact CD1-CG2 4.47Å; Y269-T333 WeakPolarHBondContact CD1-O 3.16Å; Y269-T333 WeakPolarHBondContact O-CB 3.36Å; Y269-T333 VanDerWaalsContact O-CG2 3.3Å; Y269-T333 WeakPolarHBondContact O-CG2 3.23Å; Y269-T333 PolarHBondContact O-OG1 3.27Å
334	G	74.3	Confident	84.6	Confident	44 Å²	44	70.2 Å²	70.2	45%	0.454	39%	0.386	S	S	.	.			trans	-114.4	143	169.4	0	0	0	0	0	111
335	V	76.9	Confident	84.3	Confident	27 Å²	27	71.2 Å²	71.2	16%	0.164	39%	0.392	C	S	.	.			trans	-103.1	122.4	171.5	178.2	0	0	0	0	108.9	Q76 R266 G268 Y269	Q76-V335 WeakPolarHBondContact CG-O 3.27Å; Q76-V335 PolarHBondContact NE2-O 2.76Å; Q76-V335 VanDerWaalsContact NE2-O 3.15Å; R266-V335 WeakPolarHBondContact O-CG1 3.17Å; G268-V335 WeakPolarHBondContact O-CG2 3.4Å; Y269-V335 HydrophobicContact CD1-CG2 4Å; Y269-V335 HydrophobicContact CE1-CB 4.4Å; Y269-V335 HydrophobicContact CE1-CG2 3.83Å
336	R	74.7	Confident	84	Confident	68 Å²	68	67.1 Å²	67.1	26%	0.257	38%	0.379	S	S	.	.			trans	-105.2	118.1	176	-175.8	168.5	152.8	-164	-0.7	110.6	P240 P370	P240-R336 HydrophobicContact CG-CB 3.84Å; P240-R336 HydrophobicContact CG-CG 3.53Å; P240-R336 VanDerWaalsContact CG-CZ 3.47Å; R336-P370 HydrophobicContact CG-CB 4.33Å; R336-P370 VanDerWaalsContact NE-CB 3.33Å
337	A	78.5	Confident	83.7	Confident	29 Å²	29	64.2 Å²	64.2	24%	0.24	36%	0.357	C	S	.	.			trans	-77.4	126.1	170.2	0	0	0	0	0	109.1	P237	P237-A337 WeakPolarHBondContact O-CA 3.15Å
338	Q	82.2	Confident	83.4	Confident	10 Å²	10	65.1 Å²	65.1	5%	0.047	36%	0.361	C	S	.	.			trans	-136.4	126.1	-178.8	176.3	67.2	52.5	0	0	107.6	P240 L346 V347 N368	P240-Q338 HydrophobicContact CB-CB 4Å; P240-Q338 HydrophobicContact CB-CG 3.92Å; P240-Q338 HydrophobicContact CG-CB 4.05Å; P240-Q338 HydrophobicContact CG-CG 4.49Å; Q338-L346 HydrophobicContact CG-CB 4.43Å; Q338-L346 HydrophobicContact CG-CD2 3.76Å; Q338-L346 HydrophobicContact CG-CG 4.48Å; Q338-V347 PolarHBondContact NE2-O 3.01Å; Q338-N368 PolarHBondContact NE2-OD1 3.11Å
339	A	86.4	Confident	83.3	Confident	34 Å²	34	66.3 Å²	66.3	28%	0.281	37%	0.367	S	S	.	.			trans	-73	139.1	176.5	0	0	0	0	0	110.3	V347 N368	A339-V347 HydrophobicContact CB-CB 3.88Å; A339-V347 HydrophobicContact CB-CG2 3.66Å; A339-V347 PolarHBondContact O-N 2.91Å; A339-N368 HydrophobicContact CB-CB 3.64Å; A339-N368 PolarHBondContact N-OD1 3.22Å
340	L	85.2	Confident	83.5	Confident	27 Å²	27	60.7 Å²	60.7	14%	0.141	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-131.1	124.1	-178.5	-179.8	67.2	0	0	0	107.7	Y285 G287 L288 L291 G344 S345 L346	Y285-L340 HydrophobicContact CD1-CD2 4.2Å; Y285-L340 HydrophobicContact CE1-CB 4.28Å; Y285-L340 HydrophobicContact CE1-CD2 4.01Å; Y285-L340 HydrophobicContact CE1-CG 4.1Å; Y285-L340 PolarHBondContact OH-O 3.03Å; G287-L340 VanDerWaalsContact C-CD2 3.45Å; L288-L340 HydrophobicContact CB-CD2 4.09Å; L288-L340 HydrophobicContact CD1-CD2 4.38Å; L291-L340 HydrophobicContact CB-CD1 4.22Å; L291-L340 HydrophobicContact CB-CD2 4.39Å; L291-L340 HydrophobicContact CD1-CD1 4.3Å; L291-L340 HydrophobicContact CD2-CD1 4.06Å; L291-L340 HydrophobicContact CD2-CD2 4.19Å; L291-L340 HydrophobicContact CG-CD1 4.43Å; L340-G344 VanDerWaalsContact CD1-C 3.43Å; L340-S345 WeakPolarHBondContact CD1-O 3.49Å; L340-L346 HydrophobicContact CD1-CD2 3.83Å
341	D	87.5	Confident	83.8	Confident	51 Å²	51	56.2 Å²	56.2	27%	0.273	32%	0.321	S	S	.	.			trans	-74.5	179.6	176.7	68.3	21.8	0	0	0	112	Y285 G287 E343 G344 S345	Y285-D341 PolarHBondContact OH-O 3.35Å; G287-D341 VanDerWaalsContact CA-O 3.26Å; G287-D341 WeakPolarHBondContact CA-O 3.28Å; D341-E343 PolarHBondContact O-N 3.37Å; D341-E343 VanDerWaalsContact OD1-C 3.29Å; D341-E343 VanDerWaalsContact OD1-CA 3.27Å; D341-E343 WeakPolarHBondContact OD1-CA 3.47Å; D341-E343 WeakPolarHBondContact OD1-CB 3.4Å; D341-E343 PolarHBondContact OD1-N 3.43Å; D341-G344 PolarHBondContact O-N 3.15Å; D341-G344 PolarHBondContact OD1-N 2.95Å; D341-S345 PolarHBondContact N-O 2.78Å; D341-S345 PolarHBondContact OD1-N 3.39Å; D341-S345 WeakPolarHBondContact OD2-CB 3.34Å; D341-S345 PolarHBondContact OD2-OG 3Å; D341-S345 VanDerWaalsContact OD2-OG 3.11Å
342	R	88.4	Confident	84.4	Confident	184 Å²	184	54.9 Å²	54.9	69%	0.694	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.3	179.6	-70.6	-178.2	173.6	-177.4	-1.3	112.5	K290	K290-R342 WeakPolarHBondContact CD-O 3.34Å; K290-R342 PolarHBondContact NZ-O 2.92Å
343	E	89	Confident	85	Confident	116 Å²	116	51.5 Å²	51.5	54%	0.542	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-11.8	-179.6	-67.2	56.3	-120	0	0	111	K290 D341	K290-E343 VanDerWaalsContact CD-O 3.23Å; K290-E343 WeakPolarHBondContact CD-O 3.35Å; D341-E343 PolarHBondContact O-N 3.37Å; D341-E343 VanDerWaalsContact OD1-C 3.29Å; D341-E343 VanDerWaalsContact OD1-CA 3.27Å; D341-E343 WeakPolarHBondContact OD1-CA 3.47Å; D341-E343 WeakPolarHBondContact OD1-CB 3.4Å; D341-E343 PolarHBondContact OD1-N 3.43Å
344	G	85.3	Confident	85.3	Confident	6 Å²	6	50.5 Å²	50.5	6%	0.062	28%	0.277	C	S	.	.	S	Bend	trans	84.6	17.5	-177.5	0	0	0	0	0	112.9	G287 L291 L340 D341	G287-G344 WeakPolarHBondContact O-CA 3.46Å; L291-G344 WeakPolarHBondContact CD1-O 3.46Å; L340-G344 VanDerWaalsContact CD1-C 3.43Å; D341-G344 PolarHBondContact O-N 3.15Å; D341-G344 PolarHBondContact OD1-N 2.95Å
345	S	86.7	Confident	85.6	Confident	55 Å²	55	50.1 Å²	50.1	39%	0.385	27%	0.273	S	S	.	.			trans	-91.6	133.9	172.9	-28.6	0	0	0	0	110.4	L340 D341	L340-S345 WeakPolarHBondContact CD1-O 3.49Å; D341-S345 PolarHBondContact N-O 2.78Å; D341-S345 PolarHBondContact OD1-N 3.39Å; D341-S345 WeakPolarHBondContact OD2-CB 3.34Å; D341-S345 PolarHBondContact OD2-OG 3Å; D341-S345 VanDerWaalsContact OD2-OG 3.11Å
346	L	85.8	Confident	85.9	Confident	37 Å²	37	54.3 Å²	54.3	19%	0.194	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-70	133.3	172	-58.3	176.2	0	0	0	108.6	F241 L291 Q338 L340 D348	F241-L346 HydrophobicContact CD2-CD1 3.88Å; F241-L346 HydrophobicContact CE2-CD1 3.97Å; L291-L346 HydrophobicContact CD1-CD2 4.43Å; L291-L346 HydrophobicContact CD1-CG 4.42Å; L291-L346 HydrophobicContact CD2-CD2 4.19Å; Q338-L346 HydrophobicContact CG-CB 4.43Å; Q338-L346 HydrophobicContact CG-CD2 3.76Å; Q338-L346 HydrophobicContact CG-CG 4.48Å; L340-L346 HydrophobicContact CD1-CD2 3.83Å; L346-D348 PolarHBondContact O-N 3.29Å; L346-D348 VanDerWaalsContact O-N 3.15Å
347	V	86.9	Confident	86.4	Confident	40 Å²	40	52.6 Å²	52.6	24%	0.242	31%	0.307	C	S	.	.			trans	-68.9	115.4	174.4	-179	0	0	0	0	108.3	Q338 A339 V351 N368	Q338-V347 PolarHBondContact NE2-O 3.01Å; A339-V347 HydrophobicContact CB-CB 3.88Å; A339-V347 HydrophobicContact CB-CG2 3.66Å; A339-V347 PolarHBondContact O-N 2.91Å; V347-V351 HydrophobicContact CG1-CG2 3.65Å; V347-N368 HydrophobicContact CB-CB 4.49Å; V347-N368 HydrophobicContact CG1-CB 4.3Å; V347-N368 PolarHBondContact O-ND2 3.39Å
348	D	83.2	Confident	86.5	Confident	120 Å²	120	56 Å²	56	64%	0.642	32%	0.321	S	S	*	.			trans	-80.6	-27.9	-170.4	-82.9	-23.9	0	0	0	113.9	K96 L346	K96-D348 WeakPolarHBondContact CD-O 3.48Å; K96-D348 WeakPolarHBondContact CE-O 3.24Å; K96-D348 PolarHBondContact NZ-O 2.81Å; L346-D348 PolarHBondContact O-N 3.29Å; L346-D348 VanDerWaalsContact O-N 3.15Å
349	D	90.9	Very high	86.6	Confident	43 Å²	43	58.3 Å²	58.3	23%	0.23	33%	0.333	C	S	.	.	S	Bend	trans	-113	171.3	-175.3	-151.3	-3	0	0	0	112.8	S94 L95 K96 N368	S94-D349 WeakPolarHBondContact CA-OD2 3.47Å; S94-D349 WeakPolarHBondContact CB-OD2 3.33Å; L95-D349 WeakPolarHBondContact CB-OD1 3.41Å; L95-D349 PolarHBondContact N-OD1 2.83Å; L95-D349 PolarHBondContact N-OD2 2.99Å; K96-D349 WeakPolarHBondContact CG-OD1 3.45Å; K96-D349 PolarHBondContact N-OD1 2.96Å; D349-N368 PolarHBondContact O-ND2 2.92Å
350	F	91.8	Very high	86.5	Confident	9 Å²	9	58.1 Å²	58.1	4%	0.039	33%	0.33	C	S	.	.			trans	-67.7	138.8	170.2	-59.6	-51.6	0	0	0	110.6	L95 K96 L99 F352 N368 A369 P372 A373 I380	L95-F350 HydrophobicContact CB-CD2 4.16Å; K96-F350 HydrophobicContact CB-CD2 4.5Å; K96-F350 HydrophobicContact CB-CE2 4.22Å; K96-F350 HydrophobicContact CD-CE1 4.4Å; K96-F350 HydrophobicContact CG-CD1 4.04Å; K96-F350 HydrophobicContact CG-CD2 3.77Å; K96-F350 HydrophobicContact CG-CE1 3.87Å; K96-F350 HydrophobicContact CG-CE2 3.62Å; K96-F350 HydrophobicContact CG-CG 4Å; K96-F350 HydrophobicContact CG-CZ 3.66Å; L99-F350 HydrophobicContact CB-CE2 4.15Å; L99-F350 HydrophobicContact CD1-CD2 3.79Å; L99-F350 HydrophobicContact CD1-CE2 4.07Å; F350-F352 HydrophobicContact CB-CE2 3.61Å; F350-F352 HydrophobicContact CB-CZ 3.89Å; F350-N368 WeakPolarHBondContact CD1-O 3.32Å; F350-A369 HydrophobicContact CD1-CB 4.27Å; F350-A369 HydrophobicContact CE1-CB 4.42Å; F350-P372 HydrophobicContact CZ-CG 4.37Å; F350-A373 HydrophobicContact CE1-CB 4.15Å; F350-A373 HydrophobicContact CZ-CB 4.49Å; F350-I380 HydrophobicContact CD1-CD1 4.36Å; F350-I380 HydrophobicContact CD2-CD1 4.31Å; F350-I380 HydrophobicContact CD2-CG1 4.33Å; F350-I380 HydrophobicContact CE1-CD1 3.93Å; F350-I380 HydrophobicContact CE2-CD1 3.82Å; F350-I380 HydrophobicContact CE2-CG1 4.08Å; F350-I380 HydrophobicContact CZ-CD1 3.62Å; F350-I380 HydrophobicContact CZ-CG1 4.39Å
351	V	90.8	Very high	86.5	Confident	48 Å²	48	63.7 Å²	63.7	29%	0.291	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	128.1	179	179.2	0	0	0	0	109.6	V347 R367	V347-V351 HydrophobicContact CG1-CG2 3.65Å; V351-R367 CarbonylContact C-O 3.55Å; V351-R367 WeakPolarHBondContact CA-O 3.29Å; V351-R367 HydrophobicContact CB-CB 3.96Å; V351-R367 WeakPolarHBondContact CB-O 3.36Å; V351-R367 HydrophobicContact CG1-CB 4.06Å; V351-R367 PolarHBondContact N-O 3.18Å; V351-R367 CarbonylContact O-C 3.35Å; V351-R367 PolarHBondContact O-N 2.96Å
352	F	92.3	Very high	86.4	Confident	26 Å²	26	64.2 Å²	64.2	11%	0.114	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	118.4	175	-53.5	-81.4	0	0	0	108	L95 F350 H365 T366 I380 L383 I384 K387	L95-F352 HydrophobicContact CD1-CD2 4.5Å; L95-F352 HydrophobicContact CD1-CE2 4.34Å; F350-F352 HydrophobicContact CB-CE2 3.61Å; F350-F352 HydrophobicContact CB-CZ 3.89Å; F352-H365 VanDerWaalsContact CA-O 3.31Å; F352-H365 WeakPolarHBondContact CA-O 3.4Å; F352-T366 HydrophobicContact CD1-CG2 4.06Å; F352-T366 HydrophobicContact CE1-CG2 3.6Å; F352-I380 HydrophobicContact CE1-CG2 3.96Å; F352-I380 HydrophobicContact CZ-CG2 3.87Å; F352-L383 HydrophobicContact CD2-CD2 3.94Å; F352-L383 HydrophobicContact CE2-CD2 3.5Å; F352-L383 VanDerWaalsContact CE2-CD2 3.5Å; F352-L383 HydrophobicContact CE2-CG 4.48Å; F352-L383 HydrophobicContact CZ-CD2 4.15Å; F352-I384 HydrophobicContact CD1-CD1 4.39Å; F352-I384 HydrophobicContact CD1-CG1 3.77Å; F352-I384 HydrophobicContact CE1-CD1 3.83Å; F352-I384 HydrophobicContact CE1-CG1 3.49Å; F352-I384 VanDerWaalsContact CE1-CG1 3.49Å; F352-I384 HydrophobicContact CZ-CG1 4.38Å; F352-K387 HydrophobicContact CB-CD 3.8Å; F352-K387 HydrophobicContact CG-CD 4.34Å
353	D	89.9	Confident	86.6	Confident	41 Å²	41	56.4 Å²	56.4	22%	0.219	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	154.8	-176.9	68.7	25.6	0	0	0	113.5	H365 R367	D353-H365 PolarHBondContact N-O 3.45Å; D353-H365 VanDerWaalsContact N-O 3.11Å; D353-H365 PolarHBondContact O-N 2.63Å; D353-H365 WeakPolarHBondContact OD1-CB 3.25Å; D353-H365 IonicContact OD1-CD2 2.76Å; D353-H365 IonicContact OD1-CG 3.2Å; D353-R367 WeakPolarHBondContact OD1-CD 3.35Å; D353-R367 WeakPolarHBondContact OD2-CD 3.5Å; D353-R367 IonicContact OD2-CZ 3.9Å; D353-R367 IonicContact OD2-NE 2.85Å; D353-R367 IonicContact OD2-NH1 3.47Å; D353-R367 PolarHBondContact OD2-NH1 3.34Å
354	C	84.9	Confident	86.8	Confident	45 Å²	45	52.4 Å²	52.4	30%	0.304	30%	0.301	S	S	.	.			trans	-117.3	120.3	164.1	-63.7	0	0	0	0	104.7	I363 L364	C354-I363 PolarHBondContact SG-O 3.47Å; C354-I363 VanDerWaalsContact SG-O 3.42Å; C354-L364 VanDerWaalsContact SG-CD1 3.56Å
355	G	80.8	Confident	87.1	Confident	36 Å²	36	55.5 Å²	55.5	37%	0.371	31%	0.314	S	S	.	.			trans	-60.8	-177.2	175.1	0	0	0	0	0	112.3	S360	G355-S360 VanDerWaalsContact O-CB 3.22Å; G355-S360 WeakPolarHBondContact O-CB 3.3Å
356	S	83.1	Confident	87.4	Confident	116 Å²	116	55.6 Å²	55.6	81%	0.811	31%	0.312	S	S	*	.	S	Bend	trans	-93	142.4	176.2	55	0	0	0	0	112.4	S360	S356-S360 PolarHBondContact O-OG 2.62Å
357	G	83.8	Confident	87.5	Confident	31 Å²	31	60.6 Å²	60.6	32%	0.32	33%	0.328	S	S	.	.	S	Bend	trans	109.3	172.3	174.8	0	0	0	0	0	113.6	L359 S360 R361	G357-L359 VanDerWaalsContact C-N 3.34Å; G357-L359 PolarHBondContact O-N 2.9Å; G357-S360 PolarHBondContact O-N 3.32Å; G357-R361 WeakPolarHBondContact O-CG 3.3Å; G357-R361 PolarHBondContact O-N 2.84Å
358	D	82.5	Confident	87.5	Confident	100 Å²	100	59.4 Å²	59.4	54%	0.535	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-34.2	-169.3	-66.7	-29	0	0	0	113.5	L211 R361 R362	L211-D358 HydrophobicContact CD1-CB 4.01Å; D358-R361 IonicContact OD1-NH1 3.99Å; D358-R361 PolarHBondContact OD1-NH1 3.35Å; D358-R362 WeakPolarHBondContact O-CG 3.48Å; D358-R362 PolarHBondContact O-NH1 2.85Å
359	L	83.9	Confident	87.9	Confident	59 Å²	59	55 Å²	55	31%	0.309	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-50	173.8	177.5	64.6	0	0	0	110.8	F209 L211 L226 G357 R361 R362 I363	F209-L359 HydrophobicContact CB-CD1 4.03Å; L211-L359 HydrophobicContact CD1-CB 4.07Å; L211-L359 HydrophobicContact CD2-CD1 4.01Å; L211-L359 HydrophobicContact CG-CB 4.16Å; L211-L359 HydrophobicContact CG-CD1 3.93Å; L226-L359 HydrophobicContact CD1-CD1 3.26Å; G357-L359 VanDerWaalsContact C-N 3.34Å; G357-L359 PolarHBondContact O-N 2.9Å; L359-R361 VanDerWaalsContact C-N 3.35Å; L359-R361 PolarHBondContact O-N 3.38Å; L359-R362 WeakPolarHBondContact O-CB 3.37Å; L359-R362 PolarHBondContact O-N 3.09Å; L359-I363 HydrophobicContact CD1-CD1 4.12Å; L359-I363 HydrophobicContact CG-CD1 4.14Å
360	S	84.3	Confident	87.7	Confident	30 Å²	30	53.1 Å²	53.1	21%	0.21	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-68.5	-28.3	-172.8	-59.3	0	0	0	0	114.1	G355 S356 G357 R362 I363	G355-S360 VanDerWaalsContact O-CB 3.22Å; G355-S360 WeakPolarHBondContact O-CB 3.3Å; S356-S360 PolarHBondContact O-OG 2.62Å; G357-S360 PolarHBondContact O-N 3.32Å; S360-R362 PolarHBondContact O-N 2.88Å; S360-R362 VanDerWaalsContact O-N 3.1Å; S360-I363 PolarHBondContact O-N 2.81Å; S360-I363 VanDerWaalsContact O-N 3.11Å
361	R	83.9	Confident	87.5	Confident	145 Å²	145	54.9 Å²	54.9	55%	0.547	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-63.4	-11.8	171.6	-70.6	-179.5	-167.8	123.7	-3.7	113.7	G357 D358 L359 V391 F392	G357-R361 WeakPolarHBondContact O-CG 3.3Å; G357-R361 PolarHBondContact O-N 2.84Å; D358-R361 IonicContact OD1-NH1 3.99Å; D358-R361 PolarHBondContact OD1-NH1 3.35Å; L359-R361 VanDerWaalsContact C-N 3.35Å; L359-R361 PolarHBondContact O-N 3.38Å; R361-V391 WeakPolarHBondContact O-CG1 3.25Å; R361-F392 WeakPolarHBondContact O-CE1 3.33Å
362	R	86.5	Confident	87.7	Confident	61 Å²	61	52.6 Å²	52.6	23%	0.23	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-103.6	4.2	179.3	-51	-173	155	53.8	1.6	112.6	F224 D358 L359 S360 F392	F224-R362 HydrophobicContact CD1-CB 3.83Å; F224-R362 VanDerWaalsContact CD1-CD 3.43Å; F224-R362 HydrophobicContact CD1-CG 3.38Å; F224-R362 VanDerWaalsContact CD1-NE 3.32Å; F224-R362 HydrophobicContact CE1-CB 4.16Å; F224-R362 HydrophobicContact CE1-CG 3.56Å; D358-R362 WeakPolarHBondContact O-CG 3.48Å; D358-R362 PolarHBondContact O-NH1 2.85Å; L359-R362 WeakPolarHBondContact O-CB 3.37Å; L359-R362 PolarHBondContact O-N 3.09Å; S360-R362 PolarHBondContact O-N 2.88Å; S360-R362 VanDerWaalsContact O-N 3.1Å; R362-F392 VanDerWaalsContact C-CE1 3.43Å
363	I	91.6	Very high	87.8	Confident	21 Å²	21	51.6 Å²	51.6	11%	0.108	29%	0.288	C	S	.	.			trans	-132.9	122.9	-176.1	-53.4	174.9	0	0	0	108.4	F209 L226 C354 L359 S360 H365	F209-I363 HydrophobicContact CB-CD1 4.04Å; F209-I363 HydrophobicContact CD1-CD1 4.1Å; F209-I363 HydrophobicContact CD2-CD1 3.87Å; F209-I363 HydrophobicContact CE2-CD1 4.35Å; F209-I363 HydrophobicContact CG-CD1 3.74Å; L226-I363 HydrophobicContact CD2-CD1 4.39Å; L226-I363 HydrophobicContact CD2-CG1 4.07Å; C354-I363 PolarHBondContact SG-O 3.47Å; C354-I363 VanDerWaalsContact SG-O 3.42Å; L359-I363 HydrophobicContact CD1-CD1 4.12Å; L359-I363 HydrophobicContact CG-CD1 4.14Å; S360-I363 PolarHBondContact O-N 2.81Å; S360-I363 VanDerWaalsContact O-N 3.11Å; I363-H365 WeakPolarHBondContact CG2-CE1 3.43Å
364	L	93.2	Very high	88.2	Confident	32 Å²	32	50.5 Å²	50.5	17%	0.168	28%	0.284	C	S	.	.			trans	-106.5	112.3	172.4	176.1	62.5	0	0	0	108	C354 I384 K387 A388 F392	C354-L364 VanDerWaalsContact SG-CD1 3.56Å; L364-I384 HydrophobicContact CD2-CG2 3.9Å; L364-K387 HydrophobicContact CD2-CB 3.85Å; L364-A388 HydrophobicContact CD2-CB 4.11Å; L364-F392 HydrophobicContact CB-CE2 4.32Å; L364-F392 HydrophobicContact CB-CZ 3.87Å
365	H	93.1	Very high	88.8	Confident	71 Å²	71	48.4 Å²	48.4	33%	0.329	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	132.1	179.8	-59.5	-79.8	0	0	0	110.7	F352 D353 I363 R367	F352-H365 VanDerWaalsContact CA-O 3.31Å; F352-H365 WeakPolarHBondContact CA-O 3.4Å; D353-H365 PolarHBondContact N-O 3.45Å; D353-H365 VanDerWaalsContact N-O 3.11Å; D353-H365 PolarHBondContact O-N 2.63Å; D353-H365 WeakPolarHBondContact OD1-CB 3.25Å; D353-H365 IonicContact OD1-CD2 2.76Å; D353-H365 IonicContact OD1-CG 3.2Å; I363-H365 WeakPolarHBondContact CG2-CE1 3.43Å; H365-R367 HydrophobicContact CB-CG 3.86Å
366	T	92.5	Very high	89.6	Confident	56 Å²	56	46.7 Å²	46.7	34%	0.344	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	106.5	160.5	-62.9	0	0	0	0	108.3	V46 F352 A369 I384	V46-T366 HydrophobicContact CG1-CG2 4.43Å; F352-T366 HydrophobicContact CD1-CG2 4.06Å; F352-T366 HydrophobicContact CE1-CG2 3.6Å; T366-A369 HydrophobicContact CG2-CB 3.88Å; T366-I384 VanDerWaalsContact OG1-CD1 3.26Å; T366-I384 WeakPolarHBondContact OG1-CD1 3.22Å
367	R	86.7	Confident	90.4	Very high	142 Å²	142	41.2 Å²	41.2	54%	0.536	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	138.2	-179.9	-58.8	175.9	71.3	-174.3	0.2	108.4	V351 D353 H365	V351-R367 CarbonylContact C-O 3.55Å; V351-R367 WeakPolarHBondContact CA-O 3.29Å; V351-R367 HydrophobicContact CB-CB 3.96Å; V351-R367 WeakPolarHBondContact CB-O 3.36Å; V351-R367 HydrophobicContact CG1-CB 4.06Å; V351-R367 PolarHBondContact N-O 3.18Å; V351-R367 CarbonylContact O-C 3.35Å; V351-R367 PolarHBondContact O-N 2.96Å; D353-R367 WeakPolarHBondContact OD1-CD 3.35Å; D353-R367 WeakPolarHBondContact OD2-CD 3.5Å; D353-R367 IonicContact OD2-CZ 3.9Å; D353-R367 IonicContact OD2-NE 2.85Å; D353-R367 IonicContact OD2-NH1 3.47Å; D353-R367 PolarHBondContact OD2-NH1 3.34Å; H365-R367 HydrophobicContact CB-CG 3.86Å
368	N	87.6	Confident	91.1	Very high	16 Å²	16	40.2 Å²	40.2	9%	0.086	20%	0.201	C	C	.	.			trans	56.5	66.8	179.4	-162.2	53.4	0	0	0	114.7	Q338 A339 V347 D349 F350 P370	Q338-N368 PolarHBondContact NE2-OD1 3.11Å; A339-N368 HydrophobicContact CB-CB 3.64Å; A339-N368 PolarHBondContact N-OD1 3.22Å; V347-N368 HydrophobicContact CB-CB 4.49Å; V347-N368 HydrophobicContact CG1-CB 4.3Å; V347-N368 PolarHBondContact O-ND2 3.39Å; D349-N368 PolarHBondContact O-ND2 2.92Å; F350-N368 WeakPolarHBondContact CD1-O 3.32Å; N368-P370 WeakPolarHBondContact O-CD 3.22Å
369	A	91	Very high	91.8	Very high	28 Å²	28	35.6 Å²	35.6	23%	0.231	18%	0.176	C	C	.	.			trans	-109.1	60	168.3	0	0	0	0	0	112.6	F350 T366 A373	F350-A369 HydrophobicContact CD1-CB 4.27Å; F350-A369 HydrophobicContact CE1-CB 4.42Å; T366-A369 HydrophobicContact CG2-CB 3.88Å; A369-A373 HydrophobicContact CB-CB 3.96Å; A369-A373 WeakPolarHBondContact O-CB 3.19Å
370	P	87.5	Confident	92.5	Very high	3 Å²	3	32.8 Å²	32.8	2%	0.019	16%	0.162	C	C	.	.			trans	-74.3	-173.9	172.1	35.3	-36.9	0	0	0	110.9	R336 N368 A373	R336-P370 HydrophobicContact CG-CB 4.33Å; R336-P370 VanDerWaalsContact NE-CB 3.33Å; N368-P370 WeakPolarHBondContact O-CD 3.22Å; P370-A373 WeakPolarHBondContact O-CB 3.44Å; P370-A373 PolarHBondContact O-N 3.19Å
371	S	88.3	Confident	93.2	Very high	45 Å²	45	31.3 Å²	31.3	32%	0.315	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.3	129.5	169.1	173.2	0	0	0	0	110.9	H85	H85-S371 PolarHBondContact CE1-OG 2.83Å; H85-S371 PolarHBondContact NE2-OG 2.67Å; H85-S371 VanDerWaalsContact NE2-OG 3.09Å
372	P	93.9	Very high	93.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.006	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	cis	-96.5	31.8	14.7	38.3	-34.2	0	0	0	114.8	H85 Y90 C100 F350 A374 T375 S376	H85-P372 HydrophobicContact CB-CB 3.97Å; Y90-P372 HydrophobicContact CD2-CG 4.35Å; Y90-P372 HydrophobicContact CE1-CG 4.02Å; Y90-P372 HydrophobicContact CE2-CB 4.08Å; Y90-P372 HydrophobicContact CE2-CG 3.56Å; Y90-P372 VanDerWaalsContact CZ-CD 3.44Å; Y90-P372 VanDerWaalsContact OH-CB 3.24Å; Y90-P372 WeakPolarHBondContact OH-CB 3.37Å; Y90-P372 WeakPolarHBondContact OH-CD 3.4Å; Y90-P372 WeakPolarHBondContact OH-CG 3.39Å; C100-P372 HydrophobicContact CB-CB 4.26Å; C100-P372 HydrophobicContact CB-CG 3.69Å; F350-P372 HydrophobicContact CZ-CG 4.37Å; P372-A374 PolarHBondContact O-N 2.85Å; P372-T375 PolarHBondContact O-N 3.05Å; P372-S376 WeakPolarHBondContact O-CB 3.25Å; P372-S376 PolarHBondContact O-N 3.31Å; P372-S376 PolarHBondContact O-OG 3.08Å
373	A	95.6	Very high	94.3	Very high	5 Å²	5	26.4 Å²	26.4	4%	0.041	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.6	-173.4	0	0	0	0	0	115	V46 F350 A369 P370 S376 S377 I380	V46-A373 HydrophobicContact CG2-CB 4.07Å; F350-A373 HydrophobicContact CE1-CB 4.15Å; F350-A373 HydrophobicContact CZ-CB 4.49Å; A369-A373 HydrophobicContact CB-CB 3.96Å; A369-A373 WeakPolarHBondContact O-CB 3.19Å; P370-A373 WeakPolarHBondContact O-CB 3.44Å; P370-A373 PolarHBondContact O-N 3.19Å; A373-S376 CarbonylContact O-C 3.59Å; A373-S376 PolarHBondContact O-N 3.07Å; A373-S377 WeakPolarHBondContact O-CA 3.4Å; A373-S377 WeakPolarHBondContact O-CB 3.41Å; A373-S377 PolarHBondContact O-N 3.28Å; A373-I380 HydrophobicContact CB-CD1 4.01Å
374	A	97.1	Very high	94.6	Very high	18 Å²	18	26 Å²	26	15%	0.149	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-50.2	173.9	0	0	0	0	0	111.8	I45 W182 P372 S376 S377	I45-A374 HydrophobicContact CD1-CB 4.21Å; I45-A374 HydrophobicContact CG2-CB 4.24Å; W182-A374 HydrophobicContact CD2-CB 3.72Å; W182-A374 HydrophobicContact CE3-CB 4.21Å; W182-A374 HydrophobicContact CG-CB 3.97Å; W182-A374 HydrophobicContact CZ2-CB 4.15Å; W182-A374 WeakPolarHBondContact CZ3-O 3.41Å; P372-A374 PolarHBondContact O-N 2.85Å; A374-S376 VanDerWaalsContact C-N 3.27Å; A374-S376 PolarHBondContact O-N 3.5Å; A374-S377 VanDerWaalsContact O-CB 3.24Å; A374-S377 WeakPolarHBondContact O-CB 2.96Å; A374-S377 PolarHBondContact O-N 3.08Å; A374-S377 PolarHBondContact O-OG 3.39Å
375	T	98.2	Very high	94.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-34.7	172.7	-49.9	0	0	0	0	112.5	V83 I84 H85 G103 L104 V107 P372 S377	V83-T375 PolarHBondContact O-OG1 2.78Å; I84-T375 WeakPolarHBondContact CA-OG1 3.29Å; I84-T375 HydrophobicContact CG2-CG2 3.77Å; H85-T375 HydrophobicContact CB-CG2 4.45Å; H85-T375 PolarHBondContact N-OG1 2.86Å; H85-T375 WeakPolarHBondContact O-CG2 3.25Å; G103-T375 CarbonylContact C-O 3.56Å; G103-T375 VanDerWaalsContact C-O 3.28Å; G103-T375 WeakPolarHBondContact CA-O 3.48Å; L104-T375 HydrophobicContact CB-CG2 4.48Å; V107-T375 WeakPolarHBondContact CG2-O 3.27Å; P372-T375 PolarHBondContact O-N 3.05Å; T375-S377 VanDerWaalsContact C-N 3.27Å; T375-S377 PolarHBondContact O-N 2.84Å
376	S	98.1	Very high	94.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	7.8	179.9	-46.9	0	0	0	0	112.4	C100 P372 A373 A374 L378 S379 I380	C100-S376 VanDerWaalsContact CA-OG 3.3Å; C100-S376 WeakPolarHBondContact CA-OG 3.48Å; C100-S376 PolarHBondContact N-OG 2.91Å; P372-S376 WeakPolarHBondContact O-CB 3.25Å; P372-S376 PolarHBondContact O-N 3.31Å; P372-S376 PolarHBondContact O-OG 3.08Å; A373-S376 CarbonylContact O-C 3.59Å; A373-S376 PolarHBondContact O-N 3.07Å; A374-S376 VanDerWaalsContact C-N 3.27Å; A374-S376 PolarHBondContact O-N 3.5Å; S376-L378 PolarHBondContact O-N 3.28Å; S376-S379 WeakPolarHBondContact CA-OG 3.24Å; S376-S379 PolarHBondContact O-N 3.31Å; S376-S379 PolarHBondContact O-OG 2.97Å; S376-I380 WeakPolarHBondContact O-CB 3.39Å; S376-I380 WeakPolarHBondContact O-CG1 3.05Å; S376-I380 PolarHBondContact O-N 3.06Å
377	S	98.4	Very high	95	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.007	13%	0.131	C	C	.	.	H	α-helix	trans	-62.5	-43.7	-166.5	51.5	0	0	0	0	112.6	A373 A374 T375 A381	A373-S377 WeakPolarHBondContact O-CA 3.4Å; A373-S377 WeakPolarHBondContact O-CB 3.41Å; A373-S377 PolarHBondContact O-N 3.28Å; A374-S377 VanDerWaalsContact O-CB 3.24Å; A374-S377 WeakPolarHBondContact O-CB 2.96Å; A374-S377 PolarHBondContact O-N 3.08Å; A374-S377 PolarHBondContact O-OG 3.39Å; T375-S377 VanDerWaalsContact C-N 3.27Å; T375-S377 PolarHBondContact O-N 2.84Å; S377-A381 VanDerWaalsContact O-CB 3.26Å; S377-A381 WeakPolarHBondContact O-CB 3.34Å; S377-A381 PolarHBondContact O-N 3.3Å
378	L	98.7	Very high	95.2	Very high	11 Å²	11	19.2 Å²	19.2	6%	0.058	11%	0.108	C	C	.	.	H	α-helix	trans	-70.5	-35.5	177.7	-62.3	177.1	0	0	0	112.8	A49 L106 V107 Y110 L189 S376 K382	A49-L378 HydrophobicContact CB-CD2 4.26Å; L106-L378 HydrophobicContact CB-CB 3.98Å; L106-L378 HydrophobicContact CB-CD1 3.94Å; L106-L378 HydrophobicContact CD1-CB 3.97Å; L106-L378 WeakPolarHBondContact O-CD1 3.16Å; V107-L378 HydrophobicContact CG2-CD1 4.3Å; Y110-L378 HydrophobicContact CG-CD1 4.08Å; L189-L378 HydrophobicContact CD2-CD2 3.9Å; S376-L378 PolarHBondContact O-N 3.28Å; L378-K382 WeakPolarHBondContact O-CG 3.36Å; L378-K382 PolarHBondContact O-N 3.19Å; L378-K382 VanDerWaalsContact O-N 3.17Å
379	S	98.1	Very high	95.4	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.014	11%	0.113	C	C	.	.	H	α-helix	trans	-75.8	-37.9	177.8	54	0	0	0	0	111.9	L99 S376 K382 L383	L99-S379 PolarHBondContact O-OG 2.8Å; S376-S379 WeakPolarHBondContact CA-OG 3.24Å; S376-S379 PolarHBondContact O-N 3.31Å; S376-S379 PolarHBondContact O-OG 2.97Å; S379-K382 PolarHBondContact O-N 3.06Å; S379-L383 PolarHBondContact O-N 2.83Å
380	I	98.1	Very high	95.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-46.3	169.3	-72	168	0	0	0	110.1	V46 L99 F350 F352 A373 S376 K382 L383 I384	V46-I380 HydrophobicContact CG1-CG2 3.76Å; V46-I380 HydrophobicContact CG2-CD1 4.49Å; L99-I380 HydrophobicContact CD1-CG1 3.71Å; F350-I380 HydrophobicContact CD1-CD1 4.36Å; F350-I380 HydrophobicContact CD2-CD1 4.31Å; F350-I380 HydrophobicContact CD2-CG1 4.33Å; F350-I380 HydrophobicContact CE1-CD1 3.93Å; F350-I380 HydrophobicContact CE2-CD1 3.82Å; F350-I380 HydrophobicContact CE2-CG1 4.08Å; F350-I380 HydrophobicContact CZ-CD1 3.62Å; F350-I380 HydrophobicContact CZ-CG1 4.39Å; F352-I380 HydrophobicContact CE1-CG2 3.96Å; F352-I380 HydrophobicContact CZ-CG2 3.87Å; A373-I380 HydrophobicContact CB-CD1 4.01Å; S376-I380 WeakPolarHBondContact O-CB 3.39Å; S376-I380 WeakPolarHBondContact O-CG1 3.05Å; S376-I380 PolarHBondContact O-N 3.06Å; I380-K382 VanDerWaalsContact C-N 3.33Å; I380-K382 PolarHBondContact O-N 3.18Å; I380-L383 PolarHBondContact O-N 2.91Å; I380-L383 VanDerWaalsContact O-N 3.14Å; I380-I384 HydrophobicContact CG2-CD1 3.45Å; I380-I384 VanDerWaalsContact CG2-CD1 3.45Å; I380-I384 HydrophobicContact CG2-CG1 4.04Å; I380-I384 WeakPolarHBondContact O-CG1 3.43Å; I380-I384 PolarHBondContact O-N 2.91Å
381	A	98.4	Very high	95.4	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-55.9	-47.7	177.9	0	0	0	0	0	111.5	A49 E53 S377 L383 I384 V385	A49-A381 VanDerWaalsContact C-CB 3.49Å; A49-A381 HydrophobicContact CB-CB 3.87Å; A49-A381 WeakPolarHBondContact O-CB 3.48Å; E53-A381 HydrophobicContact CB-CB 4.04Å; S377-A381 VanDerWaalsContact O-CB 3.26Å; S377-A381 WeakPolarHBondContact O-CB 3.34Å; S377-A381 PolarHBondContact O-N 3.3Å; A381-L383 VanDerWaalsContact C-N 3.35Å; A381-L383 PolarHBondContact O-N 3.22Å; A381-I384 PolarHBondContact O-N 3.4Å; A381-V385 VanDerWaalsContact O-CG2 3.3Å; A381-V385 WeakPolarHBondContact O-CG2 3.37Å; A381-V385 PolarHBondContact O-N 3.07Å
382	K	98.2	Very high	95.4	Very high	65 Å²	65	27.4 Å²	27.4	28%	0.283	14%	0.142	S	C	.	.	H	α-helix	trans	-53.4	-50.6	174.3	-72	174.4	175	-62.5	0	112	E53 L106 L378 S379 I380 I384 V385 D386	E53-K382 HydrophobicContact CG-CG 4.37Å; E53-K382 WeakPolarHBondContact OE1-CG 3.29Å; E53-K382 IonicContact OE1-NZ 3.54Å; E53-K382 PolarHBondContact OE1-NZ 3.23Å; E53-K382 IonicContact OE2-NZ 2.59Å; L106-K382 HydrophobicContact CD1-CD 4Å; L378-K382 WeakPolarHBondContact O-CG 3.36Å; L378-K382 PolarHBondContact O-N 3.19Å; L378-K382 VanDerWaalsContact O-N 3.17Å; S379-K382 PolarHBondContact O-N 3.06Å; I380-K382 VanDerWaalsContact C-N 3.33Å; I380-K382 PolarHBondContact O-N 3.18Å; K382-I384 PolarHBondContact O-N 3.13Å; K382-V385 PolarHBondContact O-N 3.24Å; K382-D386 PolarHBondContact O-N 2.88Å
383	L	97.1	Very high	95	Very high	37 Å²	37	31.8 Å²	31.8	19%	0.194	17%	0.172	C	C	.	.	H	α-helix	trans	-63	-41.3	179.3	179.5	66.5	0	0	0	112.7	L95 L99 F352 S379 I380 A381 V385 D386 K387	L95-L383 HydrophobicContact CD1-CD2 4.36Å; L95-L383 HydrophobicContact CD2-CD2 4.39Å; L99-L383 HydrophobicContact CD1-CD2 3.86Å; F352-L383 HydrophobicContact CD2-CD2 3.94Å; F352-L383 HydrophobicContact CE2-CD2 3.5Å; F352-L383 VanDerWaalsContact CE2-CD2 3.5Å; F352-L383 HydrophobicContact CE2-CG 4.48Å; F352-L383 HydrophobicContact CZ-CD2 4.15Å; S379-L383 PolarHBondContact O-N 2.83Å; I380-L383 PolarHBondContact O-N 2.91Å; I380-L383 VanDerWaalsContact O-N 3.14Å; A381-L383 VanDerWaalsContact C-N 3.35Å; A381-L383 PolarHBondContact O-N 3.22Å; L383-V385 VanDerWaalsContact C-N 3.34Å; L383-D386 PolarHBondContact O-N 2.78Å; L383-K387 WeakPolarHBondContact O-CG 3.42Å; L383-K387 PolarHBondContact O-N 2.94Å
384	I	97	Very high	94.5	Very high	12 Å²	12	32.9 Å²	32.9	6%	0.062	18%	0.177	C	C	.	.	H	α-helix	trans	-63.4	-43.8	176.9	-68.6	166.7	0	0	0	109.8	V46 T50 F352 L364 T366 I380 A381 K382 K387 A388	V46-I384 HydrophobicContact CG1-CD1 3.98Å; T50-I384 HydrophobicContact CG2-CB 4.11Å; T50-I384 HydrophobicContact CG2-CD1 4.44Å; T50-I384 HydrophobicContact CG2-CG2 3.54Å; T50-I384 WeakPolarHBondContact OG1-CD1 3.36Å; F352-I384 HydrophobicContact CD1-CD1 4.39Å; F352-I384 HydrophobicContact CD1-CG1 3.77Å; F352-I384 HydrophobicContact CE1-CD1 3.83Å; F352-I384 HydrophobicContact CE1-CG1 3.49Å; F352-I384 VanDerWaalsContact CE1-CG1 3.49Å; F352-I384 HydrophobicContact CZ-CG1 4.38Å; L364-I384 HydrophobicContact CD2-CG2 3.9Å; T366-I384 VanDerWaalsContact OG1-CD1 3.26Å; T366-I384 WeakPolarHBondContact OG1-CD1 3.22Å; I380-I384 HydrophobicContact CG2-CD1 3.45Å; I380-I384 VanDerWaalsContact CG2-CD1 3.45Å; I380-I384 HydrophobicContact CG2-CG1 4.04Å; I380-I384 WeakPolarHBondContact O-CG1 3.43Å; I380-I384 PolarHBondContact O-N 2.91Å; A381-I384 PolarHBondContact O-N 3.4Å; K382-I384 PolarHBondContact O-N 3.13Å; I384-K387 PolarHBondContact O-N 3.17Å; I384-A388 VanDerWaalsContact O-CB 3.3Å; I384-A388 WeakPolarHBondContact O-CB 3.5Å; I384-A388 PolarHBondContact O-N 3.11Å
385	V	96.7	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-37.3	-179.8	178.7	0	0	0	0	111.7	T50 E53 V54 Y58 A381 K382 L383 K387 A388 A389	T50-V385 HydrophobicContact CG2-CG2 4.34Å; E53-V385 HydrophobicContact CB-CG2 3.9Å; E53-V385 HydrophobicContact CG-CB 4.16Å; E53-V385 HydrophobicContact CG-CG2 3.77Å; V54-V385 HydrophobicContact CB-CG2 4.48Å; V54-V385 HydrophobicContact CG2-CG1 4.36Å; V54-V385 HydrophobicContact CG2-CG2 3.49Å; V54-V385 VanDerWaalsContact CG2-CG2 3.49Å; Y58-V385 HydrophobicContact CD2-CG1 4.48Å; Y58-V385 HydrophobicContact CE2-CG1 3.83Å; A381-V385 VanDerWaalsContact O-CG2 3.3Å; A381-V385 WeakPolarHBondContact O-CG2 3.37Å; A381-V385 PolarHBondContact O-N 3.07Å; K382-V385 PolarHBondContact O-N 3.24Å; L383-V385 VanDerWaalsContact C-N 3.34Å; V385-K387 VanDerWaalsContact C-N 3.35Å; V385-A388 PolarHBondContact O-N 2.83Å; V385-A389 WeakPolarHBondContact O-CB 3.39Å; V385-A389 PolarHBondContact O-N 3.06Å
386	D	95.6	Very high	92	Very high	82 Å²	82	43.4 Å²	43.4	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-59.4	-46.4	171.9	-65.2	-28.3	0	0	0	111	R57 K382 L383 A389 E390	R57-D386 IonicContact CZ-OD1 3.55Å; R57-D386 IonicContact NH1-OD1 3.66Å; R57-D386 PolarHBondContact NH1-OD1 2.83Å; R57-D386 IonicContact NH2-OD1 2.96Å; K382-D386 PolarHBondContact O-N 2.88Å; L383-D386 PolarHBondContact O-N 2.78Å; D386-A389 WeakPolarHBondContact O-CB 3.24Å; D386-A389 PolarHBondContact O-N 3.11Å; D386-E390 PolarHBondContact O-N 3.47Å
387	K	94.1	Very high	90	Very high	70 Å²	70	44.5 Å²	44.5	30%	0.304	24%	0.238	S	C	.	.	H	α-helix	trans	-65.1	-41	175.5	-75.2	-178.1	172.9	-65.7	0	112.7	F352 L364 L383 I384 V385 A389 E390 V391	F352-K387 HydrophobicContact CB-CD 3.8Å; F352-K387 HydrophobicContact CG-CD 4.34Å; L364-K387 HydrophobicContact CD2-CB 3.85Å; L383-K387 WeakPolarHBondContact O-CG 3.42Å; L383-K387 PolarHBondContact O-N 2.94Å; I384-K387 PolarHBondContact O-N 3.17Å; V385-K387 VanDerWaalsContact C-N 3.35Å; K387-A389 VanDerWaalsContact C-N 3.29Å; K387-A389 PolarHBondContact O-N 3.2Å; K387-E390 PolarHBondContact O-N 3.01Å; K387-V391 WeakPolarHBondContact O-CB 3.5Å; K387-V391 VanDerWaalsContact O-CG2 3.24Å; K387-V391 WeakPolarHBondContact O-CG2 3.13Å; K387-V391 PolarHBondContact O-N 2.67Å
388	A	92.3	Very high	87.1	Confident	7 Å²	7	57.2 Å²	57.2	6%	0.058	29%	0.293	C	S	.	.	H	α-helix	trans	-65	-36.3	177.4	0	0	0	0	0	111.1	L364 I384 V385 E390 F392 L394	L364-A388 HydrophobicContact CD2-CB 4.11Å; I384-A388 VanDerWaalsContact O-CB 3.3Å; I384-A388 WeakPolarHBondContact O-CB 3.5Å; I384-A388 PolarHBondContact O-N 3.11Å; V385-A388 PolarHBondContact O-N 2.83Å; A388-E390 VanDerWaalsContact C-N 3.33Å; A388-E390 PolarHBondContact O-N 3.05Å; A388-F392 HydrophobicContact CB-CD2 3.87Å; A388-F392 HydrophobicContact CB-CE2 4.03Å; A388-F392 WeakPolarHBondContact O-CA 3.46Å; A388-F392 VanDerWaalsContact O-CB 3.25Å; A388-F392 WeakPolarHBondContact O-CB 3.37Å; A388-F392 PolarHBondContact O-N 2.8Å; A388-L394 HydrophobicContact CB-CD1 4.2Å
389	A	92	Very high	86.6	Confident	23 Å²	23	59.6 Å²	59.6	19%	0.19	31%	0.305	C	S	.	.	H	α-helix	trans	-61.9	-41.5	174.6	0	0	0	0	0	112.1	Y58 V385 D386 K387 C393 L394	Y58-A389 VanDerWaalsContact OH-CB 3.24Å; Y58-A389 WeakPolarHBondContact OH-CB 3.36Å; V385-A389 WeakPolarHBondContact O-CB 3.39Å; V385-A389 PolarHBondContact O-N 3.06Å; D386-A389 WeakPolarHBondContact O-CB 3.24Å; D386-A389 PolarHBondContact O-N 3.11Å; K387-A389 VanDerWaalsContact C-N 3.29Å; K387-A389 PolarHBondContact O-N 3.2Å; A389-C393 CarbonylContact O-C 3.53Å; A389-C393 WeakPolarHBondContact O-CA 3.48Å; A389-C393 PolarHBondContact O-N 3.32Å; A389-C393 VanDerWaalsContact O-N 3.08Å; A389-L394 HydrophobicContact CB-CB 4.28Å; A389-L394 PolarHBondContact O-N 2.94Å
390	E	89.6	Confident	85.9	Confident	151 Å²	151	62.6 Å²	62.6	71%	0.706	32%	0.321	S	S	*	.	H	α-helix	trans	-67.8	-52.2	174.9	-175.4	-175.4	176.7	0	0	111.8	D386 K387 A388	D386-E390 PolarHBondContact O-N 3.47Å; K387-E390 PolarHBondContact O-N 3.01Å; A388-E390 VanDerWaalsContact C-N 3.33Å; A388-E390 PolarHBondContact O-N 3.05Å
391	V	87.9	Confident	85.3	Confident	52 Å²	52	66.1 Å²	66.1	32%	0.315	34%	0.338	S	S	.	.	H	α-helix	trans	-71.2	-40.5	-172.8	175.3	0	0	0	0	112.1	R361 K387	R361-V391 WeakPolarHBondContact O-CG1 3.25Å; K387-V391 WeakPolarHBondContact O-CB 3.5Å; K387-V391 VanDerWaalsContact O-CG2 3.24Å; K387-V391 WeakPolarHBondContact O-CG2 3.13Å; K387-V391 PolarHBondContact O-N 2.67Å
392	F	88	Confident	84.5	Confident	38 Å²	38	69.9 Å²	69.9	17%	0.167	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	5.8	-177.1	-50.6	-36.2	0	0	0	113	I38 R361 R362 L364 A388 L394	I38-F392 HydrophobicContact CD1-CD2 3.88Å; I38-F392 HydrophobicContact CD1-CE2 4.38Å; R361-F392 WeakPolarHBondContact O-CE1 3.33Å; R362-F392 VanDerWaalsContact C-CE1 3.43Å; L364-F392 HydrophobicContact CB-CE2 4.32Å; L364-F392 HydrophobicContact CB-CZ 3.87Å; A388-F392 HydrophobicContact CB-CD2 3.87Å; A388-F392 HydrophobicContact CB-CE2 4.03Å; A388-F392 WeakPolarHBondContact O-CA 3.46Å; A388-F392 VanDerWaalsContact O-CB 3.25Å; A388-F392 WeakPolarHBondContact O-CB 3.37Å; A388-F392 PolarHBondContact O-N 2.8Å; F392-L394 VanDerWaalsContact C-N 3.29Å; F392-L394 HydrophobicContact CB-CD2 3.84Å; F392-L394 HydrophobicContact CB-CG 4.14Å; F392-L394 PolarHBondContact O-N 2.98Å
393	C	86	Confident	83.6	Confident	93 Å²	93	70.3 Å²	70.3	63%	0.628	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	43.6	-178.3	-60.1	0	0	0	0	112.9	A389 Q395	A389-C393 CarbonylContact O-C 3.53Å; A389-C393 WeakPolarHBondContact O-CA 3.48Å; A389-C393 PolarHBondContact O-N 3.32Å; A389-C393 VanDerWaalsContact O-N 3.08Å; C393-Q395 PolarHBondContact O-N 2.94Å
394	L	84.8	Confident	82.7	Confident	29 Å²	29	72.5 Å²	72.5	15%	0.152	37%	0.374	C	S	.	.			trans	-67.7	117.9	-178.2	-52.9	179.7	0	0	0	110.1	I38 Y58 L61 A388 A389 F392	I38-L394 HydrophobicContact CD1-CD1 4.36Å; I38-L394 HydrophobicContact CD1-CD2 4.03Å; Y58-L394 HydrophobicContact CD1-CB 4.27Å; Y58-L394 HydrophobicContact CD2-CD1 4.42Å; Y58-L394 HydrophobicContact CE1-CB 3.68Å; Y58-L394 HydrophobicContact CE2-CB 4.25Å; Y58-L394 HydrophobicContact CE2-CD1 4.07Å; L61-L394 HydrophobicContact CD1-CD2 4.16Å; A388-L394 HydrophobicContact CB-CD1 4.2Å; A389-L394 HydrophobicContact CB-CB 4.28Å; A389-L394 PolarHBondContact O-N 2.94Å; F392-L394 VanDerWaalsContact C-N 3.29Å; F392-L394 HydrophobicContact CB-CD2 3.84Å; F392-L394 HydrophobicContact CB-CG 4.14Å; F392-L394 PolarHBondContact O-N 2.98Å
395	Q	76.1	Confident	81.7	Confident	126 Å²	126	76.8 Å²	76.8	59%	0.589	40%	0.397	S	S	*	.			trans	-107	140.9	176.3	-54.2	-177.8	-4.7	0	0	110.9	Y3 C393 G397	Y3-Q395 WeakPolarHBondContact OH-CB 3.48Å; C393-Q395 PolarHBondContact O-N 2.94Å; Q395-G397 PolarHBondContact O-N 3.46Å
396	N	66.8	Low	80.6	Confident	112 Å²	112	82.7 Å²	82.7	60%	0.599	43%	0.427	S	S	*	.			trans	-69.4	98.9	159.4	-72.5	-16.6	0	0	0	106.4	R57 Y58 K398	R57-N396 PolarHBondContact O-OD1 2.89Å; R57-N396 VanDerWaalsContact O-OD1 3.11Å; Y58-N396 WeakPolarHBondContact CD1-OD1 3.47Å; Y58-N396 VanDerWaalsContact CE1-OD1 3.25Å; Y58-N396 WeakPolarHBondContact CE1-OD1 3.33Å; N396-K398 PolarHBondContact O-N 2.9Å
397	G	55.9	Low	79.3	Confident	23 Å²	23	82.8 Å²	82.8	24%	0.237	43%	0.426	C	S	.	.			trans	-53.5	109.6	-179.9	0	0	0	0	0	110.1	K60 Q395	K60-G397 PolarHBondContact NZ-O 2.71Å; Q395-G397 PolarHBondContact O-N 3.46Å
398	K	38.6	Very low	78	Confident	269 Å²	269	83.9 Å²	83.9	100%	1.17	44%	0.437	S	S	*	.			trans	-60.7	0	170	-77.2	-172.9	177.5	-179.1	0	110.1	N396	N396-K398 PolarHBondContact O-N 2.9Å

Retrieved 398 of 398 residues in 464.8 ms (Link to these results)

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