A0A096MWB0_PAPAN Loading...

Hexosyltransferase

N-acetyl glucosamine (GlcNAc) transferase that catalyzes the transfer of GlcNAc via a beta1->3 linkage from UDP-GlcNAc to the non-reducing terminal galactose (Gal) in the linearly growing chain of N- and O-linked keratan sulfate proteoglycans. Cooperates with B4GALT4 galactosyltransferase and CHST6 and CHST1 sulfotransferases to construct and elongate mono- and disulfated disaccharide units [->3Galbeta1->4(6-sulfoGlcNAcbeta)1->] and [->3(6-sulfoGalbeta)1->4(6-sulfoGlcNAcbeta)1->] within keratan sulfate polymer. Involved in biosynthesis of N-linked keratan sulfate proteoglycans in cornea, with an impact on proteoglycan fibril organization and corneal transparency. May play a role in the maintenance of tissue architecture by suppressing cellular motility and invasion.

AlphaFold DB , UniProt , Accession A0A096MWB0, Species PAPAN (Papio anubis, Olive baboon), Gene B3GNT7, Length 401 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	54.8	Low	64.9	Low	198 Å²	198	134.6 Å²	134.6	98%	0.975	64%	0.641	S	S	*	*				0	114	0	-101.3	158.6	71.9	0	0	109.1
2	S	62.9	Low	65.5	Low	76 Å²	76	132.4 Å²	132.4	53%	0.531	64%	0.635	S	S	.	*			trans	-51.9	139.1	-176.6	165.1	0	0	0	0	112.5	W4 K5	S2-W4 PolarHBondContact O-N 3.23Å; S2-W4 PolarHBondContact OG-N 2.04Å; S2-K5 PolarHBondContact O-N 2.89Å
3	L	58.9	Low	66.1	Low	150 Å²	150	127.2 Å²	127.2	79%	0.785	62%	0.62	S	S	*	*	H	α-helix	trans	-48	-33.3	176.7	-89	122.1	0	0	0	112.4	K5 K6 T7	L3-K5 PolarHBondContact O-N 3.29Å; L3-K6 PolarHBondContact O-N 3.45Å; L3-T7 PolarHBondContact O-N 3.03Å; L3-T7 VanDerWaalsContact O-N 3.11Å; L3-T7 PolarHBondContact O-OG1 3.39Å; L3-T7 VanDerWaalsContact O-OG1 3.07Å
4	W	60.7	Low	66.6	Low	198 Å²	198	126.4 Å²	126.4	75%	0.75	62%	0.619	S	S	*	*	H	α-helix	trans	-64.5	-39.4	179	-166.2	49.6	0	0	0	113.1	S2 K6 T7 V8	S2-W4 PolarHBondContact O-N 3.23Å; S2-W4 PolarHBondContact OG-N 2.04Å; W4-K6 VanDerWaalsContact C-N 3.34Å; W4-K6 PolarHBondContact O-N 3.42Å; W4-T7 PolarHBondContact O-N 3.27Å; W4-V8 WeakPolarHBondContact O-CG2 2.98Å; W4-V8 PolarHBondContact O-N 2.75Å
5	K	61	Low	67	Low	142 Å²	142	121.4 Å²	121.4	62%	0.617	61%	0.606	S	S	*	*	H	α-helix	trans	-68.2	-32.5	176.3	-73.1	-171.6	175	-174.4	0	112.2	S2 L3 Y9	S2-K5 PolarHBondContact O-N 2.89Å; L3-K5 PolarHBondContact O-N 3.29Å; K5-Y9 VanDerWaalsContact O-CB 3.26Å; K5-Y9 WeakPolarHBondContact O-CB 3.44Å; K5-Y9 PolarHBondContact O-N 3.07Å
6	K	64.6	Low	67.4	Low	134 Å²	134	120.9 Å²	120.9	58%	0.583	61%	0.605	S	S	*	*	H	α-helix	trans	-69.8	-38.6	175.2	-82.1	-176.7	175.5	-179.4	0	112	L3 W4 R10	L3-K6 PolarHBondContact O-N 3.45Å; W4-K6 VanDerWaalsContact C-N 3.34Å; W4-K6 PolarHBondContact O-N 3.42Å; K6-R10 WeakPolarHBondContact O-CB 2.98Å; K6-R10 WeakPolarHBondContact O-CG 3.07Å; K6-R10 PolarHBondContact O-N 3Å
7	T	66.9	Low	67.8	Low	84 Å²	84	116.2 Å²	116.2	52%	0.515	60%	0.595	S	S	.	*	H	α-helix	trans	-68.5	-44.5	177.6	-50.3	0	0	0	0	111.3	L3 W4 Y9 R10 S11	L3-T7 PolarHBondContact O-N 3.03Å; L3-T7 VanDerWaalsContact O-N 3.11Å; L3-T7 PolarHBondContact O-OG1 3.39Å; L3-T7 VanDerWaalsContact O-OG1 3.07Å; W4-T7 PolarHBondContact O-N 3.27Å; T7-Y9 PolarHBondContact O-N 3.46Å; T7-R10 PolarHBondContact O-N 3.36Å; T7-S11 PolarHBondContact O-N 2.91Å; T7-S11 PolarHBondContact O-OG 2.94Å
8	V	72.1	Confident	68	Low	68 Å²	68	115.9 Å²	115.9	41%	0.412	59%	0.594	S	S	.	*	H	α-helix	trans	-63.7	-42.9	177	173.3	0	0	0	0	111.4	W4 S11 L12	W4-V8 WeakPolarHBondContact O-CG2 2.98Å; W4-V8 PolarHBondContact O-N 2.75Å; V8-S11 PolarHBondContact O-N 3.35Å; V8-L12 HydrophobicContact CG1-CD1 3.85Å; V8-L12 WeakPolarHBondContact O-CB 3.27Å; V8-L12 PolarHBondContact O-N 3.09Å
9	Y	73.1	Confident	67.8	Low	169 Å²	169	115.6 Å²	115.6	66%	0.663	59%	0.593	S	S	*	*	H	α-helix	trans	-64.9	-40.7	177.1	-170.2	-98	0	0	0	112.5	K5 T7 L12 C13	K5-Y9 VanDerWaalsContact O-CB 3.26Å; K5-Y9 WeakPolarHBondContact O-CB 3.44Å; K5-Y9 PolarHBondContact O-N 3.07Å; T7-Y9 PolarHBondContact O-N 3.46Å; Y9-L12 PolarHBondContact O-N 3.38Å; Y9-C13 WeakPolarHBondContact O-CB 3.42Å; Y9-C13 PolarHBondContact O-N 3.16Å; Y9-C13 PolarHBondContact O-SG 3.26Å; Y9-C13 VanDerWaalsContact O-SG 3.39Å
10	R	68.6	Low	67.8	Low	189 Å²	189	114 Å²	114	71%	0.713	59%	0.588	S	S	*	*	H	α-helix	trans	-63.1	-42.2	174.4	-84.5	-177.7	169.3	-177.4	-4.1	112.4	K6 T7 C13 L14	K6-R10 WeakPolarHBondContact O-CB 2.98Å; K6-R10 WeakPolarHBondContact O-CG 3.07Å; K6-R10 PolarHBondContact O-N 3Å; T7-R10 PolarHBondContact O-N 3.36Å; R10-C13 PolarHBondContact O-N 2.98Å; R10-L14 WeakPolarHBondContact O-CB 3.35Å; R10-L14 WeakPolarHBondContact O-CD1 3.27Å; R10-L14 WeakPolarHBondContact O-CG 3.26Å; R10-L14 PolarHBondContact O-N 3.05Å
11	S	70.5	Confident	67.6	Low	73 Å²	73	111.2 Å²	111.2	51%	0.51	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-38.9	176.7	-67.6	0	0	0	0	112.5	T7 V8 L14 A15	T7-S11 PolarHBondContact O-N 2.91Å; T7-S11 PolarHBondContact O-OG 2.94Å; V8-S11 PolarHBondContact O-N 3.35Å; S11-L14 PolarHBondContact O-N 3.32Å; S11-A15 VanDerWaalsContact O-CB 3.32Å; S11-A15 WeakPolarHBondContact O-CB 2.93Å; S11-A15 PolarHBondContact O-N 3.38Å
12	L	71.9	Confident	67.8	Low	108 Å²	108	106.4 Å²	106.4	57%	0.565	56%	0.56	S	S	*	*	H	α-helix	trans	-65.5	-42.7	174.7	-99.4	141.6	0	0	0	112.2	V8 Y9 A15 L16	V8-L12 HydrophobicContact CG1-CD1 3.85Å; V8-L12 WeakPolarHBondContact O-CB 3.27Å; V8-L12 PolarHBondContact O-N 3.09Å; Y9-L12 PolarHBondContact O-N 3.38Å; L12-A15 PolarHBondContact O-N 3.42Å; L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.96Å
13	C	72.8	Confident	67.3	Low	64 Å²	64	105.9 Å²	105.9	43%	0.432	55%	0.554	S	S	.	*	H	α-helix	trans	-67.4	-37.1	176	-72.1	0	0	0	0	112.7	Y9 R10 G17	Y9-C13 WeakPolarHBondContact O-CB 3.42Å; Y9-C13 PolarHBondContact O-N 3.16Å; Y9-C13 PolarHBondContact O-SG 3.26Å; Y9-C13 VanDerWaalsContact O-SG 3.39Å; R10-C13 PolarHBondContact O-N 2.98Å; C13-G17 PolarHBondContact O-N 3.13Å
14	L	74.1	Confident	67.1	Low	117 Å²	117	103 Å²	103	61%	0.613	54%	0.543	S	S	*	.	H	α-helix	trans	-67.1	-41.1	174.3	-79.6	162.3	0	0	0	111.7	R10 S11 G17 L18	R10-L14 WeakPolarHBondContact O-CB 3.35Å; R10-L14 WeakPolarHBondContact O-CD1 3.27Å; R10-L14 WeakPolarHBondContact O-CG 3.26Å; R10-L14 PolarHBondContact O-N 3.05Å; S11-L14 PolarHBondContact O-N 3.32Å; L14-G17 PolarHBondContact O-N 3.31Å; L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 PolarHBondContact O-N 2.98Å
15	A	72.2	Confident	66.3	Low	51 Å²	51	100.2 Å²	100.2	42%	0.421	54%	0.536	S	S	.	.	H	α-helix	trans	-65.3	-41	175.3	0	0	0	0	0	112	S11 L12 L18 L19	S11-A15 VanDerWaalsContact O-CB 3.32Å; S11-A15 WeakPolarHBondContact O-CB 2.93Å; S11-A15 PolarHBondContact O-N 3.38Å; L12-A15 PolarHBondContact O-N 3.42Å; A15-L18 PolarHBondContact O-N 3.19Å; A15-L19 WeakPolarHBondContact O-CB 3.37Å; A15-L19 PolarHBondContact O-N 3.43Å
16	L	72.8	Confident	65.5	Low	114 Å²	114	100 Å²	100	60%	0.597	54%	0.537	S	S	*	.	H	α-helix	trans	-66.6	-40.9	175.3	-139.9	91.4	0	0	0	111.5	L12 L19 V20	L12-L16 WeakPolarHBondContact O-CB 3.49Å; L12-L16 PolarHBondContact O-N 2.96Å; L16-L19 PolarHBondContact O-N 3.27Å; L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.09Å
17	G	74.3	Confident	64.5	Low	41 Å²	41	103.8 Å²	103.8	42%	0.423	55%	0.547	S	S	.	.	H	α-helix	trans	-63.3	-40.6	175.5	0	0	0	0	0	112.9	C13 L14 V20 A21	C13-G17 PolarHBondContact O-N 3.13Å; L14-G17 PolarHBondContact O-N 3.31Å; G17-V20 PolarHBondContact O-N 3.19Å; G17-A21 VanDerWaalsContact O-CB 3.28Å; G17-A21 WeakPolarHBondContact O-CB 3.17Å; G17-A21 PolarHBondContact O-N 3.34Å
18	L	71.1	Confident	63.1	Low	111 Å²	111	103.6 Å²	103.6	58%	0.581	55%	0.549	S	S	*	.	H	α-helix	trans	-66.5	-39.4	173.9	-84.6	160	0	0	0	112.3	L14 A15 A21 L22	L14-L18 WeakPolarHBondContact O-CB 3.39Å; L14-L18 PolarHBondContact O-N 2.98Å; A15-L18 PolarHBondContact O-N 3.19Å; L18-A21 PolarHBondContact O-N 2.71Å; L18-L22 VanDerWaalsContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.24Å
19	L	65.2	Low	61.2	Low	110 Å²	110	105.6 Å²	105.6	58%	0.576	56%	0.558	S	S	*	*	H	α-helix	trans	-65.7	-40.5	174.9	-95.2	155.2	0	0	0	112.5	A15 L16 T23	A15-L19 WeakPolarHBondContact O-CB 3.37Å; A15-L19 PolarHBondContact O-N 3.43Å; L16-L19 PolarHBondContact O-N 3.27Å; L19-T23 WeakPolarHBondContact O-CB 3.49Å; L19-T23 VanDerWaalsContact O-CG2 3.31Å; L19-T23 WeakPolarHBondContact O-CG2 3.48Å; L19-T23 PolarHBondContact O-N 3.09Å; L19-T23 PolarHBondContact O-OG1 2.87Å
20	V	68.3	Low	59.4	Low	82 Å²	82	102.7 Å²	102.7	50%	0.497	56%	0.558	S	S	.	*	H	α-helix	trans	-69.5	-40.4	175.3	174.9	0	0	0	0	110.8	L16 G17 T23 V24	L16-V20 VanDerWaalsContact O-CG2 3.31Å; L16-V20 WeakPolarHBondContact O-CG2 3.47Å; L16-V20 PolarHBondContact O-N 3.09Å; G17-V20 PolarHBondContact O-N 3.19Å; V20-T23 WeakPolarHBondContact CA-OG1 3.4Å; V20-T23 PolarHBondContact O-N 3.47Å; V20-T23 PolarHBondContact O-OG1 2.76Å; V20-V24 HydrophobicContact CG1-CG2 4.41Å; V20-V24 WeakPolarHBondContact O-CB 3.47Å; V20-V24 VanDerWaalsContact O-CG2 3.24Å; V20-V24 WeakPolarHBondContact O-CG2 3.44Å; V20-V24 PolarHBondContact O-N 3.23Å
21	A	63.8	Low	57.6	Low	57 Å²	57	98.3 Å²	98.3	47%	0.471	55%	0.553	S	S	.	*	H	α-helix	trans	-64.3	-42.7	174.7	0	0	0	0	0	112	G17 L18 V24 F25	G17-A21 VanDerWaalsContact O-CB 3.28Å; G17-A21 WeakPolarHBondContact O-CB 3.17Å; G17-A21 PolarHBondContact O-N 3.34Å; L18-A21 PolarHBondContact O-N 2.71Å; A21-V24 PolarHBondContact O-N 3.02Å; A21-F25 WeakPolarHBondContact O-CB 3.45Å; A21-F25 PolarHBondContact O-N 3.08Å
22	L	58.4	Low	55.9	Low	97 Å²	97	105.9 Å²	105.9	51%	0.508	57%	0.571	S	S	.	*	H	α-helix	trans	-63.9	-41.1	175.8	-87.7	158.5	0	0	0	112.3	L18 F25 Q26	L18-L22 VanDerWaalsContact O-CB 3.29Å; L18-L22 WeakPolarHBondContact O-CB 3.41Å; L18-L22 WeakPolarHBondContact O-CG 3.38Å; L18-L22 PolarHBondContact O-N 3.24Å; L22-F25 PolarHBondContact O-N 3.27Å; L22-Q26 VanDerWaalsContact O-CB 3.25Å; L22-Q26 WeakPolarHBondContact O-CB 3.34Å; L22-Q26 VanDerWaalsContact O-CG 3.27Å; L22-Q26 WeakPolarHBondContact O-CG 3.28Å; L22-Q26 PolarHBondContact O-N 3.26Å
23	T	52.7	Low	54	Low	65 Å²	65	109.1 Å²	109.1	40%	0.399	58%	0.583	S	S	.	*	H	α-helix	trans	-71.8	-32.7	178	49.8	0	0	0	0	112.7	L19 V20 R27	L19-T23 WeakPolarHBondContact O-CB 3.49Å; L19-T23 VanDerWaalsContact O-CG2 3.31Å; L19-T23 WeakPolarHBondContact O-CG2 3.48Å; L19-T23 PolarHBondContact O-N 3.09Å; L19-T23 PolarHBondContact O-OG1 2.87Å; V20-T23 WeakPolarHBondContact CA-OG1 3.4Å; V20-T23 PolarHBondContact O-N 3.47Å; V20-T23 PolarHBondContact O-OG1 2.76Å; T23-R27 WeakPolarHBondContact O-CB 3.4Å; T23-R27 WeakPolarHBondContact O-CG 3.38Å; T23-R27 PolarHBondContact O-N 2.99Å
24	V	53.8	Low	51.9	Low	90 Å²	90	115.2 Å²	115.2	55%	0.545	60%	0.602	S	S	.	*	H	α-helix	trans	-73.5	-37.3	172.3	172.7	0	0	0	0	111.3	V20 A21 R27 S28	V20-V24 HydrophobicContact CG1-CG2 4.41Å; V20-V24 WeakPolarHBondContact O-CB 3.47Å; V20-V24 VanDerWaalsContact O-CG2 3.24Å; V20-V24 WeakPolarHBondContact O-CG2 3.44Å; V20-V24 PolarHBondContact O-N 3.23Å; A21-V24 PolarHBondContact O-N 3.02Å; V24-R27 PolarHBondContact O-N 2.96Å; V24-S28 WeakPolarHBondContact O-CB 3.47Å; V24-S28 PolarHBondContact O-N 2.94Å; V24-S28 PolarHBondContact O-OG 2.79Å
25	F	43.2	Very low	49.8	Very low	139 Å²	139	117.7 Å²	117.7	61%	0.61	62%	0.616	S	S	*	*	H	α-helix	trans	-69.5	-39.9	175.4	-151.4	-103.7	0	0	0	111.6	A21 L22 R27 S28 L29	A21-F25 WeakPolarHBondContact O-CB 3.45Å; A21-F25 PolarHBondContact O-N 3.08Å; L22-F25 PolarHBondContact O-N 3.27Å; F25-R27 VanDerWaalsContact C-N 3.34Å; F25-R27 PolarHBondContact O-N 3.36Å; F25-S28 VanDerWaalsContact CA-OG 3.29Å; F25-S28 WeakPolarHBondContact CA-OG 3.46Å; F25-S28 PolarHBondContact O-N 3.25Å; F25-S28 PolarHBondContact O-OG 2.94Å; F25-L29 HydrophobicContact CD1-CD1 3.49Å; F25-L29 VanDerWaalsContact CD1-CD1 3.49Å; F25-L29 HydrophobicContact CD1-CG 4.28Å; F25-L29 HydrophobicContact CE1-CD1 3.56Å; F25-L29 HydrophobicContact CE1-CG 4.3Å; F25-L29 HydrophobicContact CG-CD1 4.48Å; F25-L29 WeakPolarHBondContact O-CB 3.32Å; F25-L29 WeakPolarHBondContact O-CG 3.22Å; F25-L29 PolarHBondContact O-N 3.35Å
26	Q	45.1	Very low	47.8	Very low	136 Å²	136	124.1 Å²	124.1	64%	0.636	64%	0.637	S	S	*	*	H	α-helix	trans	-67.4	-30.1	172.7	-77.6	178.6	-35.1	0	0	113.1	L22	L22-Q26 VanDerWaalsContact O-CB 3.25Å; L22-Q26 WeakPolarHBondContact O-CB 3.34Å; L22-Q26 VanDerWaalsContact O-CG 3.27Å; L22-Q26 WeakPolarHBondContact O-CG 3.28Å; L22-Q26 PolarHBondContact O-N 3.26Å
27	R	44.4	Very low	45.7	Very low	214 Å²	214	127.7 Å²	127.7	81%	0.808	65%	0.651	S	S	*	*	H	α-helix	trans	-79.9	-22.3	172.9	-80.2	-175	173.6	-171.9	-0	114.1	T23 V24 F25	T23-R27 WeakPolarHBondContact O-CB 3.4Å; T23-R27 WeakPolarHBondContact O-CG 3.38Å; T23-R27 PolarHBondContact O-N 2.99Å; V24-R27 PolarHBondContact O-N 2.96Å; F25-R27 VanDerWaalsContact C-N 3.34Å; F25-R27 PolarHBondContact O-N 3.36Å
28	S	37.4	Very low	43.5	Very low	80 Å²	80	131.3 Å²	131.3	56%	0.559	67%	0.667	S	S	*	*	H	α-helix	trans	-90.8	-16	175	44.1	0	0	0	0	113.1	V24 F25 T30	V24-S28 WeakPolarHBondContact O-CB 3.47Å; V24-S28 PolarHBondContact O-N 2.94Å; V24-S28 PolarHBondContact O-OG 2.79Å; F25-S28 VanDerWaalsContact CA-OG 3.29Å; F25-S28 WeakPolarHBondContact CA-OG 3.46Å; F25-S28 PolarHBondContact O-N 3.25Å; F25-S28 PolarHBondContact O-OG 2.94Å; S28-T30 VanDerWaalsContact C-N 3.29Å; S28-T30 PolarHBondContact O-N 2.98Å
29	L	32.7	Very low	41.5	Very low	111 Å²	111	133.5 Å²	133.5	58%	0.581	68%	0.678	S	S	*	*			trans	-90	53.9	165.4	-70.1	167.3	0	0	0	111.5	F25 P31	F25-L29 HydrophobicContact CD1-CD1 3.49Å; F25-L29 VanDerWaalsContact CD1-CD1 3.49Å; F25-L29 HydrophobicContact CD1-CG 4.28Å; F25-L29 HydrophobicContact CE1-CD1 3.56Å; F25-L29 HydrophobicContact CE1-CG 4.3Å; F25-L29 HydrophobicContact CG-CD1 4.48Å; F25-L29 WeakPolarHBondContact O-CB 3.32Å; F25-L29 WeakPolarHBondContact O-CG 3.22Å; F25-L29 PolarHBondContact O-N 3.35Å; L29-P31 WeakPolarHBondContact O-CD 3.41Å
30	T	33.4	Very low	39.9	Very low	108 Å²	108	133.4 Å²	133.4	66%	0.663	68%	0.684	S	S	*	*			trans	-84.9	116.6	153.5	47.6	0	0	0	0	107.8	S28 R32	S28-T30 VanDerWaalsContact C-N 3.29Å; S28-T30 PolarHBondContact O-N 2.98Å; T30-R32 PolarHBondContact O-N 3.34Å
31	P	31	Very low	38.1	Very low	96 Å²	96	135.4 Å²	135.4	62%	0.623	70%	0.699	S	S	*	*			trans	-69.1	103.8	175.6	-15.7	30.4	0	0	0	109.8	L29 F34	L29-P31 WeakPolarHBondContact O-CD 3.41Å; P31-F34 HydrophobicContact CB-CD2 4.08Å; P31-F34 HydrophobicContact CB-CE2 4.09Å; P31-F34 HydrophobicContact CG-CE2 4.41Å
32	R	35.8	Very low	36.4	Very low	233 Å²	233	139 Å²	139	88%	0.879	72%	0.715	S	S	*	*	S	Bend	trans	-65.3	124.3	140.9	-88.7	-178.3	171.1	-178.8	-2	105.3	T30	T30-R32 PolarHBondContact O-N 3.34Å
33	Q	32.2	Very low	35	Very low	175 Å²	175	142.8 Å²	142.8	82%	0.818	74%	0.735	S	S	*	*			trans	102.4	91.2	179.9	-60.8	169.1	-21	0	0	114.2
34	F	27.4	Very low	33.8	Very low	192 Å²	192	148.3 Å²	148.3	84%	0.842	76%	0.756	S	S	*	*			trans	-147.2	73.5	146	-88	-72	0	0	0	108.6	P31	P31-F34 HydrophobicContact CB-CD2 4.08Å; P31-F34 HydrophobicContact CB-CE2 4.09Å; P31-F34 HydrophobicContact CG-CE2 4.41Å
35	L	31.3	Very low	32.6	Very low	170 Å²	170	149.6 Å²	149.6	89%	0.89	77%	0.766	S	S	*	*			trans	-139.8	69.1	156.2	-91.8	173	0	0	0	106.3
36	Q	29.5	Very low	31.8	Very low	186 Å²	186	152.3 Å²	152.3	87%	0.869	78%	0.781	S	S	*	*			trans	-160.7	105.2	162.9	-135.6	149.1	-22	0	0	110
37	E	28.3	Very low	30.9	Very low	189 Å²	189	155.9 Å²	155.9	88%	0.883	79%	0.794	S	S	*	*			trans	-115.3	155.9	152.7	-92.1	-155.6	163.6	0	0	108.9
38	P	28.1	Very low	30.1	Very low	117 Å²	117	150.5 Å²	150.5	76%	0.76	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-81.2	149	-152.8	-5.9	23.5	0	0	0	113.8
39	L	28.7	Very low	29.5	Very low	156 Å²	156	155.5 Å²	155.5	82%	0.817	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-69.4	142.4	163.9	-100.2	93.5	0	0	0	110.8
40	P	31.7	Very low	29.7	Very low	109 Å²	109	160.3 Å²	160.3	71%	0.708	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-74.2	158.3	159	12.2	0.5	0	0	0	111.4
41	P	31.8	Very low	29.5	Very low	124 Å²	124	160.8 Å²	160.8	81%	0.805	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-67.8	140.5	-157.7	24.7	-33	0	0	0	114.6
42	T	27.9	Very low	29.7	Very low	132 Å²	132	164.6 Å²	164.6	81%	0.81	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-59.2	127.5	168.9	36.6	0	0	0	0	112.2
43	L	28.3	Very low	29.2	Very low	177 Å²	177	156.5 Å²	156.5	93%	0.927	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-93.5	130.9	154.7	-90.2	152	0	0	0	108.4
44	E	28.2	Very low	29.1	Very low	180 Å²	180	157.6 Å²	157.6	84%	0.841	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-64.3	162.6	-175.7	-86.3	-151.9	168.7	0	0	115.2
45	P	28.2	Very low	29.3	Very low	117 Å²	117	156.1 Å²	156.1	76%	0.76	84%	0.84	S	S	*	*	P	Polyproline II helix	trans	-87.4	136.3	-158.3	33.3	-32	0	0	0	113.5
46	Q	26.3	Very low	29.5	Very low	196 Å²	196	154.5 Å²	154.5	92%	0.916	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-103	138.2	163	-71.7	-167.1	-8.3	0	0	111.7
47	K	25.2	Very low	29.7	Very low	212 Å²	212	149.7 Å²	149.7	92%	0.922	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-58.4	151.3	-169.9	-77.5	169.9	171.8	171.8	0	114
48	A	28.4	Very low	30.3	Very low	101 Å²	101	144.8 Å²	144.8	84%	0.835	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-56.9	142.1	-176.2	0	0	0	0	0	115.4
49	Q	25.2	Very low	30.8	Very low	185 Å²	185	144.1 Å²	144.1	86%	0.864	79%	0.792	S	S	*	*			trans	-133.2	127.3	148.7	-86.5	177	-23.1	0	0	108.2	P51	Q49-P51 WeakPolarHBondContact O-CD 3.23Å
50	K	36.4	Very low	31.2	Very low	211 Å²	211	143 Å²	143	92%	0.917	79%	0.787	S	S	*	*			trans	-70	133.6	166.8	-84.9	177.3	171.9	177.3	0	108.6
51	P	29.7	Very low	31.7	Very low	118 Å²	118	140.4 Å²	140.4	77%	0.766	77%	0.765	S	S	*	*			trans	-117.9	121.6	148.9	5.3	17.2	0	0	0	110	Q49 G53	Q49-P51 WeakPolarHBondContact O-CD 3.23Å; P51-G53 PolarHBondContact O-N 3.16Å
52	N	34.1	Very low	32.3	Very low	177 Å²	177	137.7 Å²	137.7	95%	0.947	74%	0.739	S	S	*	*			trans	-50.2	115.6	153.4	-88.5	-17.3	0	0	0	108.4
53	G	27.2	Very low	32.7	Very low	63 Å²	63	140.3 Å²	140.3	65%	0.649	74%	0.739	S	S	*	*			trans	-146.6	117.3	171.8	0	0	0	0	0	108	P51 L55	P51-G53 PolarHBondContact O-N 3.16Å; G53-L55 PolarHBondContact O-N 3.1Å
54	Q	28.6	Very low	33.1	Very low	197 Å²	197	138.4 Å²	138.4	92%	0.921	73%	0.73	S	S	*	*			trans	-43.6	124.1	-177	-77.4	163.1	-39.5	0	0	111.9	V56	Q54-V56 PolarHBondContact O-N 3.33Å; Q54-V56 VanDerWaalsContact O-N 3.14Å
55	L	32.4	Very low	34	Very low	161 Å²	161	134.2 Å²	134.2	84%	0.843	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-56.4	117.3	168.7	-84.8	94.1	0	0	0	108.9	G53 N57	G53-L55 PolarHBondContact O-N 3.1Å; L55-N57 PolarHBondContact O-N 3.14Å
56	V	35.7	Very low	34.4	Very low	137 Å²	137	137 Å²	137	83%	0.83	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-61.2	119.2	159.5	177.2	0	0	0	0	107	Q54 P58	Q54-V56 PolarHBondContact O-N 3.33Å; Q54-V56 VanDerWaalsContact O-N 3.14Å; V56-P58 WeakPolarHBondContact O-CD 3.33Å
57	N	33.5	Very low	34.9	Very low	85 Å²	85	135.3 Å²	135.3	46%	0.455	71%	0.712	S	S	.	*	P	Polyproline II helix	trans	-62.6	117	-171.7	-172.1	-6.8	0	0	0	111.5	L55 N59 N60	L55-N57 PolarHBondContact O-N 3.14Å; N57-N59 PolarHBondContact O-N 2.88Å; N57-N59 VanDerWaalsContact O-N 3.08Å; N57-N59 WeakPolarHBondContact OD1-CB 3.43Å; N57-N59 PolarHBondContact OD1-N 3.15Å; N57-N59 PolarHBondContact OD1-ND2 3.45Å; N57-N59 PolarHBondContact OD1-OD1 3.47Å; N57-N60 PolarHBondContact O-N 3.41Å
58	P	40.9	Very low	35.7	Very low	86 Å²	86	129.7 Å²	129.7	56%	0.558	70%	0.696	S	S	*	*	G	3₁₀ helix	trans	-66.4	-4.4	176.6	26.5	-33.6	0	0	0	114.1	V56 N60 F61	V56-P58 WeakPolarHBondContact O-CD 3.33Å; P58-N60 PolarHBondContact O-N 3.04Å; P58-F61 PolarHBondContact O-N 3.45Å
59	N	38.9	Very low	36.2	Very low	102 Å²	102	129.1 Å²	129.1	55%	0.545	69%	0.691	S	S	.	*	G	3₁₀ helix	trans	-65.1	-17.8	174.9	-67.5	-7.8	0	0	0	113.7	N57 F61 W62	N57-N59 PolarHBondContact O-N 2.88Å; N57-N59 VanDerWaalsContact O-N 3.08Å; N57-N59 WeakPolarHBondContact OD1-CB 3.43Å; N57-N59 PolarHBondContact OD1-N 3.15Å; N57-N59 PolarHBondContact OD1-ND2 3.45Å; N57-N59 PolarHBondContact OD1-OD1 3.47Å; N59-F61 VanDerWaalsContact C-N 3.27Å; N59-F61 PolarHBondContact O-N 3.21Å; N59-W62 CarbonylContact O-C 3.53Å; N59-W62 PolarHBondContact O-N 2.95Å
60	N	37.4	Very low	36.6	Very low	133 Å²	133	124.5 Å²	124.5	71%	0.711	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-77.4	-8.1	178.5	-76.3	-5.3	0	0	0	114.3	N57 P58 W62	N57-N60 PolarHBondContact O-N 3.41Å; P58-N60 PolarHBondContact O-N 3.04Å; N60-W62 VanDerWaalsContact C-N 3.29Å
61	F	41.9	Very low	36.8	Very low	55 Å²	55	120.2 Å²	120.2	24%	0.241	68%	0.678	C	S	.	*	G	3₁₀ helix	trans	-73.3	-25.4	171.8	-171.2	-87.6	0	0	0	111.9	P58 N59 R115 L288	P58-F61 PolarHBondContact O-N 3.45Å; N59-F61 VanDerWaalsContact C-N 3.27Å; N59-F61 PolarHBondContact O-N 3.21Å; F61-R115 VanDerWaalsContact CE2-NH1 3.35Å; F61-L288 WeakPolarHBondContact CE1-O 3.44Å; F61-L288 HydrophobicContact CZ-CD1 4.16Å
62	W	44.5	Very low	36.9	Very low	66 Å²	66	120.1 Å²	120.1	25%	0.25	68%	0.676	C	S	.	*	S	Bend	trans	-123.2	82.1	175.1	-55.9	102	0	0	0	108.4	N59 N60 N64 Y289 S290 M332	N59-W62 CarbonylContact O-C 3.53Å; N59-W62 PolarHBondContact O-N 2.95Å; N60-W62 VanDerWaalsContact C-N 3.29Å; W62-N64 PolarHBondContact O-N 3.38Å; W62-Y289 AromaticContact CH2-CD2 3.63Å; W62-Y289 HydrophobicContact CH2-CD2 3.63Å; W62-Y289 AromaticContact CH2-CE2 3.8Å; W62-Y289 HydrophobicContact CH2-CE2 3.8Å; W62-Y289 AromaticContact CZ2-CD2 3.28Å; W62-Y289 HydrophobicContact CZ2-CD2 3.28Å; W62-Y289 AromaticContact CZ2-CE2 3.75Å; W62-Y289 HydrophobicContact CZ2-CE2 3.75Å; W62-Y289 HydrophobicContact CZ2-CG 4.1Å; W62-S290 PolarHBondContact NE1-OG 3.11Å; W62-M332 HydrophobicContact CH2-CE 4.49Å; W62-M332 HydrophobicContact CH2-SD 4.47Å
63	K	36.2	Very low	37	Very low	187 Å²	187	117.8 Å²	117.8	81%	0.813	67%	0.67	S	S	*	*			trans	-53.6	132.5	164.7	-91.4	-174.5	173.7	-175.5	0	108.2	L65	K63-L65 PolarHBondContact O-N 3.01Å
64	N	35.6	Very low	37.4	Very low	138 Å²	138	122.6 Å²	122.6	74%	0.738	68%	0.678	S	S	*	*			trans	-52.2	131	177.8	-74	-39.8	0	0	0	109.7	W62 Q66	W62-N64 PolarHBondContact O-N 3.38Å; N64-Q66 PolarHBondContact O-N 2.84Å
65	L	46.8	Very low	38.1	Very low	92 Å²	92	118.1 Å²	118.1	48%	0.482	68%	0.675	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68	27	179.3	-78.5	155	0	0	0	113.7	K63 V336	K63-L65 PolarHBondContact O-N 3.01Å; L65-V336 HydrophobicContact CD2-CG2 4.25Å
66	Q	37.7	Very low	38.6	Very low	176 Å²	176	115.4 Å²	115.4	82%	0.822	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.3	-6.3	-176.7	-76.9	-176.5	-22.2	0	0	114.5	N64	N64-Q66 PolarHBondContact O-N 2.84Å
67	D	35.8	Very low	39.8	Very low	159 Å²	159	117.1 Å²	117.1	85%	0.85	67%	0.668	S	S	*	*			trans	-111.4	37.6	177.7	-63	-30.6	0	0	0	112.9	A69	D67-A69 PolarHBondContact O-N 3.01Å
68	V	43.2	Very low	41.3	Very low	95 Å²	95	115.2 Å²	115.2	58%	0.576	67%	0.669	S	S	*	*			trans	-86.8	94.8	167.7	-174.6	0	0	0	0	107.6	A70	V68-A70 PolarHBondContact O-N 2.83Å
69	A	37.8	Very low	43.2	Very low	88 Å²	88	113.9 Å²	113.9	73%	0.727	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-54.8	129.8	167.2	0	0	0	0	0	109	D67	D67-A69 PolarHBondContact O-N 3.01Å
70	A	35.1	Very low	45.4	Very low	88 Å²	88	117 Å²	117	73%	0.727	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-55.7	129.5	174.4	0	0	0	0	0	109.1	V68 T72	V68-A70 PolarHBondContact O-N 2.83Å; A70-T72 PolarHBondContact O-N 3.17Å; A70-T72 VanDerWaalsContact O-N 3.13Å
71	P	40.2	Very low	48	Very low	122 Å²	122	113.1 Å²	113.1	79%	0.792	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64.3	118.9	178.6	23.5	-31.2	0	0	0	109.6
72	T	32.2	Very low	50.6	Low	116 Å²	116	111.9 Å²	111.9	71%	0.712	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-58.1	130.7	165.8	-34.7	0	0	0	0	108.4	A70 M74	A70-T72 PolarHBondContact O-N 3.17Å; A70-T72 VanDerWaalsContact O-N 3.13Å; T72-M74 VanDerWaalsContact C-N 3.26Å; T72-M74 PolarHBondContact O-N 3.22Å
73	P	36.4	Very low	52.9	Low	128 Å²	128	113.1 Å²	113.1	83%	0.831	66%	0.663	S	S	*	*			trans	-75.1	82.3	178.1	30.5	-33.3	0	0	0	109.4
74	M	34.8	Very low	55.6	Low	163 Å²	163	105.5 Å²	105.5	80%	0.803	63%	0.632	S	S	*	*			trans	-94.6	112.9	156.7	-74.3	-160.5	-179.3	0	0	107.3	T72 S76	T72-M74 VanDerWaalsContact C-N 3.26Å; T72-M74 PolarHBondContact O-N 3.22Å; M74-S76 PolarHBondContact O-N 3.11Å
75	A	42.7	Very low	58.2	Low	104 Å²	104	104.2 Å²	104.2	86%	0.86	63%	0.629	S	S	*	*			trans	-67.6	76.5	170.2	0	0	0	0	0	109.5	Q77	A75-Q77 PolarHBondContact O-N 3.29Å
76	S	44.3	Very low	60.1	Low	104 Å²	104	104.4 Å²	104.4	73%	0.727	63%	0.634	S	S	*	*			trans	-74.7	109.8	157.2	61.5	0	0	0	0	106.3	M74 G78	M74-S76 PolarHBondContact O-N 3.11Å; S76-G78 PolarHBondContact O-N 3.01Å
77	Q	59.5	Low	62.5	Low	173 Å²	173	98.1 Å²	98.1	81%	0.808	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-56.3	116.3	169.6	-71.1	-179.4	-13	0	0	107.4	A75	A75-Q77 PolarHBondContact O-N 3.29Å
78	G	66.4	Low	64.8	Low	45 Å²	45	98.1 Å²	98.1	46%	0.464	61%	0.608	S	S	.	*	P	Polyproline II helix	trans	-59.1	170.3	175.1	0	0	0	0	0	111.6	S76 Q80	S76-G78 PolarHBondContact O-N 3.01Å; G78-Q80 PolarHBondContact O-N 3.12Å
79	P	79.2	Confident	67	Low	58 Å²	58	95.7 Å²	95.7	38%	0.377	59%	0.594	S	S	.	*	P	Polyproline II helix	trans	-59.1	134.1	179.6	27.1	-34.4	0	0	0	110.5	A81 D83 I228	P79-A81 PolarHBondContact O-N 3.22Å; P79-D83 HydrophobicContact CB-CB 4.32Å; P79-I228 HydrophobicContact CG-CD1 4.28Å; P79-I228 HydrophobicContact CG-CG1 4.45Å
80	Q	84.9	Confident	69.7	Low	167 Å²	167	95.6 Å²	95.6	78%	0.78	59%	0.588	S	S	*	*	S	Bend	trans	-77.2	-8.3	-179.8	-66.1	-172.2	-13.9	0	0	113.4	G78	G78-Q80 PolarHBondContact O-N 3.12Å
81	A	92.7	Very high	72.5	Confident	52 Å²	52	93.3 Å²	93.3	43%	0.43	57%	0.57	S	S	.	*	S	Bend	trans	-149.9	164.8	177.4	0	0	0	0	0	109.8	P79 D83	P79-A81 PolarHBondContact O-N 3.22Å; A81-D83 PolarHBondContact O-N 2.8Å; A81-D83 VanDerWaalsContact O-N 3.08Å
82	W	95.9	Very high	74.9	Confident	29 Å²	29	90.2 Å²	90.2	11%	0.11	55%	0.547	C	S	.	.			trans	-59.8	112.7	173.9	-166.4	-92.5	0	0	0	110.8	V84 Y119 F120 M122 W206 H221 K224 W225 I228 Y229	W82-V84 PolarHBondContact NE1-O 3.43Å; W82-Y119 HydrophobicContact CH2-CD1 4.15Å; W82-Y119 HydrophobicContact CZ2-CD1 4.45Å; W82-F120 VanDerWaalsContact CZ2-O 3.26Å; W82-F120 WeakPolarHBondContact CZ2-O 3.31Å; W82-F120 PolarHBondContact NE1-O 3.08Å; W82-F120 VanDerWaalsContact NE1-O 3.12Å; W82-M122 HydrophobicContact CB-CG 4.48Å; W82-M122 HydrophobicContact CB-SD 3.98Å; W82-M122 HydrophobicContact CD2-CG 3.77Å; W82-M122 HydrophobicContact CD2-SD 3.74Å; W82-M122 HydrophobicContact CE3-CG 4.42Å; W82-M122 HydrophobicContact CE3-SD 3.95Å; W82-M122 HydrophobicContact CG-CB 4.48Å; W82-M122 HydrophobicContact CG-CG 3.76Å; W82-M122 HydrophobicContact CG-SD 3.74Å; W82-W206 AromaticContact CE2-NE1 3.91Å; W82-W206 AromaticContact CH2-NE1 3.47Å; W82-W206 AromaticContact CZ2-CD1 3.68Å; W82-W206 AromaticContact CZ2-NE1 3.52Å; W82-W206 AromaticContact CZ3-NE1 3.83Å; W82-H221 HydrophobicContact CH2-CB 4.19Å; W82-H221 AromaticContact CH2-CD2 3.58Å; W82-H221 AromaticContact CZ2-CD2 3.56Å; W82-K224 HydrophobicContact CE3-CD 4.38Å; W82-K224 HydrophobicContact CE3-CG 4.33Å; W82-K224 HydrophobicContact CH2-CB 4.3Å; W82-K224 HydrophobicContact CH2-CD 3.85Å; W82-K224 HydrophobicContact CH2-CG 4.21Å; W82-K224 HydrophobicContact CZ3-CB 3.9Å; W82-K224 HydrophobicContact CZ3-CD 3.73Å; W82-K224 HydrophobicContact CZ3-CG 3.66Å; W82-W225 HydrophobicContact CZ3-CB 4.25Å; W82-I228 HydrophobicContact CE3-CD1 4.16Å; W82-Y229 HydrophobicContact CB-CE2 4.43Å; W82-Y229 PolarHBondContact N-OH 3.14Å
83	D	92.9	Very high	77.7	Confident	92 Å²	92	88.3 Å²	88.3	49%	0.492	54%	0.538	S	S	.	.			trans	-95	-7	-170.1	61.4	-24.1	0	0	0	113.9	P79 A81 T85 K224	P79-D83 HydrophobicContact CB-CB 4.32Å; A81-D83 PolarHBondContact O-N 2.8Å; A81-D83 VanDerWaalsContact O-N 3.08Å; D83-T85 PolarHBondContact O-N 3.36Å; D83-K224 WeakPolarHBondContact OD1-CE 3.4Å; D83-K224 IonicContact OD1-NZ 2.77Å; D83-K224 PolarHBondContact OD1-NZ 3.29Å
84	V	93.6	Very high	80.2	Confident	27 Å²	27	87.8 Å²	87.8	16%	0.164	53%	0.528	C	S	.	.			trans	-89.1	102	-179.5	-175.9	0	0	0	0	109.6	W82 P121	W82-V84 PolarHBondContact NE1-O 3.43Å; V84-P121 VanDerWaalsContact O-CA 3.32Å; V84-P121 WeakPolarHBondContact O-CA 3.23Å
85	T	89.4	Confident	82.8	Confident	111 Å²	111	81.4 Å²	81.4	68%	0.681	50%	0.497	S	S	*	.			trans	-97.8	-24.8	-179.7	56.1	0	0	0	0	113.2	D83 P121	D83-T85 PolarHBondContact O-N 3.36Å; T85-P121 WeakPolarHBondContact O-CG 3.35Å
86	T	88.5	Confident	84.9	Confident	95 Å²	95	79.3 Å²	79.3	58%	0.583	47%	0.474	S	S	*	.			trans	-143.6	148.3	177.8	56.7	0	0	0	0	109.9
87	T	86.2	Confident	86.9	Confident	44 Å²	44	84.2 Å²	84.2	27%	0.27	48%	0.477	S	S	.	.			trans	-115.1	94	172.9	-63.2	0	0	0	0	109.8	C89 Y119 F120 P121	T87-C89 HydrophobicContact CG2-CB 3.49Å; T87-C89 VanDerWaalsContact CG2-CB 3.49Å; T87-C89 PolarHBondContact O-N 2.92Å; T87-Y119 PolarHBondContact OG1-O 3.37Å; T87-F120 HydrophobicContact CG2-CD1 3.82Å; T87-F120 HydrophobicContact CG2-CE1 3.74Å; T87-F120 HydrophobicContact CG2-CG 4.47Å; T87-F120 HydrophobicContact CG2-CZ 4.31Å; T87-F120 WeakPolarHBondContact OG1-CA 3.33Å; T87-P121 VanDerWaalsContact OG1-CD 3.28Å; T87-P121 WeakPolarHBondContact OG1-CD 3.26Å
88	N	85.1	Confident	88.3	Confident	160 Å²	160	80.1 Å²	80.1	86%	0.856	46%	0.457	S	S	*	.			trans	-80.1	71	169.7	-69.3	-19.8	0	0	0	109.4
89	C	90.3	Very high	89.3	Confident	43 Å²	43	82.9 Å²	82.9	29%	0.291	47%	0.467	S	S	.	.			trans	-99.9	126.7	179.8	168.8	0	0	0	0	110.3	T87 Y114 C117	T87-C89 HydrophobicContact CG2-CB 3.49Å; T87-C89 VanDerWaalsContact CG2-CB 3.49Å; T87-C89 PolarHBondContact O-N 2.92Å; C89-Y114 WeakPolarHBondContact SG-CD1 3.3Å; C89-C117 HydrophobicContact CB-CB 3.66Å; C89-C117 WeakPolarHBondContact CB-SG 3.38Å; C89-C117 WeakPolarHBondContact SG-CB 3.33Å; C89-C117 CovalentContact SG-SG 1.99Å; C89-C117 PolarHBondContact SG-SG 2.86Å
90	S	92.9	Very high	89.8	Confident	86 Å²	86	84.7 Å²	84.7	60%	0.601	47%	0.466	S	S	*	.			trans	-120.2	153.8	176.7	63	0	0	0	0	110.6	N92 H116	S90-N92 PolarHBondContact O-N 3.03Å; S90-H116 PolarHBondContact O-CE1 3.37Å; S90-H116 PolarHBondContact O-NE2 3.08Å
91	A	93.5	Very high	90.2	Very high	41 Å²	41	77 Å²	77	34%	0.339	43%	0.43	S	S	.	.			trans	-67.7	133.7	180	0	0	0	0	0	110.9	S93 F113 Y114	A91-S93 PolarHBondContact O-N 2.92Å; A91-F113 HydrophobicContact CB-CB 4.24Å; A91-F113 HydrophobicContact CB-CD1 4.43Å; A91-F113 HydrophobicContact CB-CG 4.39Å; A91-Y114 HydrophobicContact CB-CE1 3.92Å; A91-Y114 HydrophobicContact CB-CE2 4.42Å
92	N	92.3	Very high	90.1	Very high	57 Å²	57	81.3 Å²	81.3	31%	0.305	44%	0.44	S	S	.	.			trans	-73.5	87.2	174.2	-175.5	-1.5	0	0	0	111.4	S90 N94 L95 F113	S90-N92 PolarHBondContact O-N 3.03Å; N92-N94 PolarHBondContact O-N 3.01Å; N92-N94 WeakPolarHBondContact OD1-CB 3.39Å; N92-N94 PolarHBondContact OD1-N 3.1Å; N92-L95 PolarHBondContact O-N 2.89Å; N92-F113 WeakPolarHBondContact CB-O 3.26Å; N92-F113 PolarHBondContact N-O 3.47Å; N92-F113 VanDerWaalsContact O-CD1 3.32Å; N92-F113 WeakPolarHBondContact O-CD1 3.49Å
93	S	90.1	Very high	89.8	Confident	76 Å²	76	82.8 Å²	82.8	53%	0.531	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-65.5	-16.9	-176.6	61.1	0	0	0	0	114.1	A91 L95 T96	A91-S93 PolarHBondContact O-N 2.92Å; S93-L95 PolarHBondContact O-N 2.87Å; S93-L95 VanDerWaalsContact O-N 3.16Å; S93-T96 WeakPolarHBondContact O-CB 3.39Å; S93-T96 WeakPolarHBondContact O-CG2 3.42Å; S93-T96 PolarHBondContact O-N 3.08Å; S93-T96 VanDerWaalsContact O-N 3.1Å; S93-T96 PolarHBondContact O-OG1 3.44Å
94	N	89.5	Confident	89.8	Confident	116 Å²	116	79 Å²	79	62%	0.62	44%	0.443	S	S	*	.	G	3₁₀ helix	trans	-60.9	-27.2	179.2	-67.8	-29	0	0	0	112.8	N92 T96	N92-N94 PolarHBondContact O-N 3.01Å; N92-N94 WeakPolarHBondContact OD1-CB 3.39Å; N92-N94 PolarHBondContact OD1-N 3.1Å; N94-T96 VanDerWaalsContact C-N 3.3Å; N94-T96 PolarHBondContact O-N 3.19Å
95	L	88	Confident	89.8	Confident	29 Å²	29	79.3 Å²	79.3	15%	0.152	44%	0.443	C	S	.	.	G	3₁₀ helix	trans	-70.2	-24.8	179.1	-62.2	178.4	0	0	0	113.1	N92 S93 R97 Q98 W100 F101 L112	N92-L95 PolarHBondContact O-N 2.89Å; S93-L95 PolarHBondContact O-N 2.87Å; S93-L95 VanDerWaalsContact O-N 3.16Å; L95-R97 PolarHBondContact O-N 3.15Å; L95-R97 VanDerWaalsContact O-N 3.14Å; L95-Q98 WeakPolarHBondContact O-CB 3.37Å; L95-Q98 PolarHBondContact O-N 3.48Å; L95-W100 HydrophobicContact CD2-CH2 4.29Å; L95-W100 HydrophobicContact CD2-CZ2 4.24Å; L95-F101 HydrophobicContact CB-CD1 4.34Å; L95-F101 HydrophobicContact CB-CD2 3.76Å; L95-F101 HydrophobicContact CB-CE1 4.39Å; L95-F101 HydrophobicContact CB-CE2 3.8Å; L95-F101 HydrophobicContact CB-CG 4.03Å; L95-F101 HydrophobicContact CB-CZ 4.13Å; L95-F101 HydrophobicContact CD1-CD2 4.26Å; L95-F101 HydrophobicContact CD1-CE2 3.92Å; L95-F101 WeakPolarHBondContact O-CB 3.49Å; L95-F101 WeakPolarHBondContact O-CD1 3.39Å; L95-F101 WeakPolarHBondContact O-CG 3.31Å; L95-L112 HydrophobicContact CD1-CB 3.84Å; L95-L112 WeakPolarHBondContact CD1-O 3.46Å
96	T	88.3	Confident	90	Very high	61 Å²	61	78.1 Å²	78.1	37%	0.374	44%	0.437	S	S	.	.	G	3₁₀ helix	trans	-61.5	-26.6	-175.9	59.7	0	0	0	0	113.9	S93 N94 Q98 K102 F113	S93-T96 WeakPolarHBondContact O-CB 3.39Å; S93-T96 WeakPolarHBondContact O-CG2 3.42Å; S93-T96 PolarHBondContact O-N 3.08Å; S93-T96 VanDerWaalsContact O-N 3.1Å; S93-T96 PolarHBondContact O-OG1 3.44Å; N94-T96 VanDerWaalsContact C-N 3.3Å; N94-T96 PolarHBondContact O-N 3.19Å; T96-Q98 VanDerWaalsContact C-N 3.29Å; T96-K102 WeakPolarHBondContact O-CE 3.37Å; T96-F113 HydrophobicContact CG2-CE1 3.66Å; T96-F113 HydrophobicContact CG2-CZ 3.7Å
97	R	86.8	Confident	90.2	Very high	207 Å²	207	78 Å²	78	78%	0.781	43%	0.43	S	S	*	.	G	3₁₀ helix	trans	-78.7	-15	-179	-61.6	-177.1	-177.6	-178.5	1.1	112.6	L95	L95-R97 PolarHBondContact O-N 3.15Å; L95-R97 VanDerWaalsContact O-N 3.14Å
98	Q	88	Confident	90.7	Very high	86 Å²	86	76 Å²	76	40%	0.402	42%	0.417	S	S	.	.			trans	-82.4	125	-174.6	-62.8	-68.6	-11.2	0	0	111.7	L95 T96 W100 F101 K102	L95-Q98 WeakPolarHBondContact O-CB 3.37Å; L95-Q98 PolarHBondContact O-N 3.48Å; T96-Q98 VanDerWaalsContact C-N 3.29Å; Q98-W100 VanDerWaalsContact C-N 3.31Å; Q98-W100 HydrophobicContact CB-CD2 4.41Å; Q98-W100 HydrophobicContact CB-CG 4.38Å; Q98-W100 HydrophobicContact CB-CZ2 4.34Å; Q98-W100 HydrophobicContact CG-CZ2 4.37Å; Q98-W100 PolarHBondContact O-N 2.81Å; Q98-F101 HydrophobicContact CB-CB 3.96Å; Q98-F101 WeakPolarHBondContact O-CB 3.36Å; Q98-F101 PolarHBondContact O-N 3.06Å; Q98-F101 VanDerWaalsContact O-N 3.12Å; Q98-K102 PolarHBondContact O-N 2.76Å
99	P	88.3	Confident	91.1	Very high	103 Å²	103	72.7 Å²	72.7	67%	0.669	39%	0.393	S	S	*	.	H	α-helix	trans	-58.9	-39.8	179.4	-26.1	34.6	0	0	0	113.6	F101 K102 G103	P99-F101 PolarHBondContact O-N 3.49Å; P99-K102 PolarHBondContact O-N 3.05Å; P99-G103 PolarHBondContact O-N 3.28Å
100	W	89.8	Confident	91.3	Very high	96 Å²	96	75.5 Å²	75.5	36%	0.364	40%	0.402	S	S	.	.	H	α-helix	trans	-62.5	-33.4	178.3	65.5	-100.3	0	0	0	112.1	L95 Q98 G103 L104 L112 A287	L95-W100 HydrophobicContact CD2-CH2 4.29Å; L95-W100 HydrophobicContact CD2-CZ2 4.24Å; Q98-W100 VanDerWaalsContact C-N 3.31Å; Q98-W100 HydrophobicContact CB-CD2 4.41Å; Q98-W100 HydrophobicContact CB-CG 4.38Å; Q98-W100 HydrophobicContact CB-CZ2 4.34Å; Q98-W100 HydrophobicContact CG-CZ2 4.37Å; Q98-W100 PolarHBondContact O-N 2.81Å; W100-G103 PolarHBondContact O-N 3Å; W100-L104 HydrophobicContact CE3-CD1 4.02Å; W100-L104 HydrophobicContact CZ3-CD1 3.79Å; W100-L104 WeakPolarHBondContact O-CG 3.35Å; W100-L112 HydrophobicContact CH2-CD1 4.07Å; W100-L112 HydrophobicContact CZ3-CD1 3.75Å; W100-A287 HydrophobicContact CE3-CB 3.89Å
101	F	92.9	Very high	91.5	Very high	6 Å²	6	72.1 Å²	72.1	3%	0.026	38%	0.376	C	S	.	.	H	α-helix	trans	-71.3	-39.8	179.7	179.7	-94.5	0	0	0	111.6	L95 Q98 P99 G103 L104 R109 L112 F113	L95-F101 HydrophobicContact CB-CD1 4.34Å; L95-F101 HydrophobicContact CB-CD2 3.76Å; L95-F101 HydrophobicContact CB-CE1 4.39Å; L95-F101 HydrophobicContact CB-CE2 3.8Å; L95-F101 HydrophobicContact CB-CG 4.03Å; L95-F101 HydrophobicContact CB-CZ 4.13Å; L95-F101 HydrophobicContact CD1-CD2 4.26Å; L95-F101 HydrophobicContact CD1-CE2 3.92Å; L95-F101 WeakPolarHBondContact O-CB 3.49Å; L95-F101 WeakPolarHBondContact O-CD1 3.39Å; L95-F101 WeakPolarHBondContact O-CG 3.31Å; Q98-F101 HydrophobicContact CB-CB 3.96Å; Q98-F101 WeakPolarHBondContact O-CB 3.36Å; Q98-F101 PolarHBondContact O-N 3.06Å; Q98-F101 VanDerWaalsContact O-N 3.12Å; P99-F101 PolarHBondContact O-N 3.49Å; F101-G103 PolarHBondContact O-N 2.92Å; F101-L104 HydrophobicContact CD2-CD1 4.34Å; F101-L104 WeakPolarHBondContact O-CB 3.41Å; F101-L104 PolarHBondContact O-N 3.4Å; F101-L104 VanDerWaalsContact O-N 3.15Å; F101-R109 HydrophobicContact CD1-CG 4.35Å; F101-R109 HydrophobicContact CD2-CG 4.47Å; F101-R109 HydrophobicContact CE1-CB 4.14Å; F101-R109 HydrophobicContact CE1-CG 3.9Å; F101-R109 HydrophobicContact CE2-CB 4.09Å; F101-R109 HydrophobicContact CE2-CG 4.05Å; F101-R109 HydrophobicContact CZ-CB 3.62Å; F101-R109 HydrophobicContact CZ-CG 3.74Å; F101-R109 WeakPolarHBondContact O-CD 3.29Å; F101-L112 HydrophobicContact CD2-CD1 4.01Å; F101-L112 HydrophobicContact CE2-CB 3.86Å; F101-L112 HydrophobicContact CE2-CD1 4.1Å; F101-F113 AromaticContact CE1-CE1 3.8Å; F101-F113 HydrophobicContact CE1-CE1 3.8Å; F101-F113 HydrophobicContact CE1-CE2 4.02Å; F101-F113 AromaticContact CE1-CZ 3.45Å; F101-F113 HydrophobicContact CE1-CZ 3.45Å; F101-F113 VanDerWaalsContact CE1-CZ 3.45Å; F101-F113 AromaticContact CZ-CD1 3.92Å; F101-F113 HydrophobicContact CZ-CD1 3.92Å; F101-F113 HydrophobicContact CZ-CD2 4.05Å; F101-F113 AromaticContact CZ-CE1 3.51Å; F101-F113 HydrophobicContact CZ-CE1 3.51Å; F101-F113 AromaticContact CZ-CE2 3.67Å; F101-F113 HydrophobicContact CZ-CE2 3.67Å; F101-F113 HydrophobicContact CZ-CG 4.17Å; F101-F113 AromaticContact CZ-CZ 3.39Å; F101-F113 HydrophobicContact CZ-CZ 3.39Å
102	K	89.3	Confident	91.6	Very high	143 Å²	143	70.3 Å²	70.3	62%	0.622	36%	0.361	S	S	*	.	H	α-helix	trans	-61.7	-30.3	177.1	-66.3	-177.9	-178.6	-178.8	0	112.6	T96 Q98 P99 L104	T96-K102 WeakPolarHBondContact O-CE 3.37Å; Q98-K102 PolarHBondContact O-N 2.76Å; P99-K102 PolarHBondContact O-N 3.05Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 3.02Å
103	G	89.7	Confident	91.7	Very high	59 Å²	59	69.5 Å²	69.5	61%	0.608	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-3	178.1	0	0	0	0	0	115.4	P99 W100 F101	P99-G103 PolarHBondContact O-N 3.28Å; W100-G103 PolarHBondContact O-N 3Å; F101-G103 PolarHBondContact O-N 2.92Å
104	L	93.3	Very high	92	Very high	13 Å²	13	70.1 Å²	70.1	7%	0.068	35%	0.346	C	S	.	.	S	Bend	trans	-84.5	148.4	-178.6	-63.7	-178.2	0	0	0	112.8	W100 F101 K102 F108 R109 L112 P285	W100-L104 HydrophobicContact CE3-CD1 4.02Å; W100-L104 HydrophobicContact CZ3-CD1 3.79Å; W100-L104 WeakPolarHBondContact O-CG 3.35Å; F101-L104 HydrophobicContact CD2-CD1 4.34Å; F101-L104 WeakPolarHBondContact O-CB 3.41Å; F101-L104 PolarHBondContact O-N 3.4Å; F101-L104 VanDerWaalsContact O-N 3.15Å; K102-L104 VanDerWaalsContact C-N 3.29Å; K102-L104 PolarHBondContact O-N 3.02Å; L104-F108 HydrophobicContact CB-CB 4.16Å; L104-F108 HydrophobicContact CD1-CB 4.21Å; L104-R109 HydrophobicContact CB-CG 3.84Å; L104-R109 PolarHBondContact O-NE 2.83Å; L104-L112 HydrophobicContact CD1-CD1 3.55Å; L104-P285 HydrophobicContact CD2-CB 3.76Å; L104-P285 HydrophobicContact CD2-CG 3.79Å
105	E	93.7	Very high	92.2	Very high	34 Å²	34	66.5 Å²	66.5	16%	0.159	32%	0.324	C	S	.	.			trans	-61.1	148.6	172.7	-59.6	77.6	-177.3	0	0	110.8	Q107 F108 R109 K278	E105-Q107 VanDerWaalsContact C-N 3.25Å; E105-Q107 VanDerWaalsContact CB-OE1 3.29Å; E105-Q107 PolarHBondContact O-N 2.88Å; E105-Q107 VanDerWaalsContact O-N 3.11Å; E105-F108 HydrophobicContact CB-CD2 4Å; E105-F108 HydrophobicContact CB-CE2 4.46Å; E105-F108 PolarHBondContact O-N 2.85Å; E105-F108 WeakPolarHBondContact OE2-CD2 3.22Å; E105-R109 PolarHBondContact O-N 3.43Å; E105-K278 WeakPolarHBondContact OE1-CD 3.36Å; E105-K278 VanDerWaalsContact OE1-CE 3.27Å; E105-K278 WeakPolarHBondContact OE1-CE 3.39Å; E105-K278 IonicContact OE1-NZ 2.72Å; E105-K278 PolarHBondContact OE1-NZ 2.94Å
106	P	93.7	Very high	92.5	Very high	85 Å²	85	69.9 Å²	69.9	55%	0.552	34%	0.338	S	S	*	.	H	α-helix	trans	-49.8	-41	-173.6	-26.5	32.4	0	0	0	114.7	F108 R109 Q110	P106-F108 VanDerWaalsContact C-N 3.35Å; P106-F108 PolarHBondContact O-N 2.79Å; P106-R109 PolarHBondContact O-N 3.27Å; P106-Q110 WeakPolarHBondContact O-CB 3.41Å; P106-Q110 PolarHBondContact O-N 2.8Å
107	Q	93.3	Very high	92.9	Very high	93 Å²	93	67.5 Å²	67.5	44%	0.435	32%	0.324	S	S	.	.	H	α-helix	trans	-63.2	-35.5	179.8	65.3	-83	21.8	0	0	113.4	E105 F111 F213	E105-Q107 VanDerWaalsContact C-N 3.25Å; E105-Q107 VanDerWaalsContact CB-OE1 3.29Å; E105-Q107 PolarHBondContact O-N 2.88Å; E105-Q107 VanDerWaalsContact O-N 3.11Å; Q107-F111 WeakPolarHBondContact O-CB 3.26Å; Q107-F111 PolarHBondContact O-N 2.62Å; Q107-F213 HydrophobicContact CB-CD2 4.32Å; Q107-F213 HydrophobicContact CB-CE2 3.99Å; Q107-F213 HydrophobicContact CG-CD2 4.4Å; Q107-F213 HydrophobicContact CG-CE2 3.6Å; Q107-F213 HydrophobicContact CG-CZ 3.97Å
108	F	95.7	Very high	93.3	Very high	3 Å²	3	59.7 Å²	59.7	1%	0.013	30%	0.295	C	S	.	.	H	α-helix	trans	-74.8	-37.4	175.8	-68.2	-71.5	0	0	0	111.5	L104 E105 P106 F111 L112 F213 Y283 I284 P285 L288	L104-F108 HydrophobicContact CB-CB 4.16Å; L104-F108 HydrophobicContact CD1-CB 4.21Å; E105-F108 HydrophobicContact CB-CD2 4Å; E105-F108 HydrophobicContact CB-CE2 4.46Å; E105-F108 PolarHBondContact O-N 2.85Å; E105-F108 WeakPolarHBondContact OE2-CD2 3.22Å; P106-F108 VanDerWaalsContact C-N 3.35Å; P106-F108 PolarHBondContact O-N 2.79Å; F108-F111 PolarHBondContact O-N 3.07Å; F108-L112 WeakPolarHBondContact O-CB 3.23Å; F108-L112 WeakPolarHBondContact O-CG 3.37Å; F108-L112 PolarHBondContact O-N 3.33Å; F108-F213 AromaticContact CD1-CE2 3.5Å; F108-F213 HydrophobicContact CD1-CE2 3.5Å; F108-F213 VanDerWaalsContact CD1-CE2 3.5Å; F108-F213 AromaticContact CD1-CZ 3.89Å; F108-F213 HydrophobicContact CD1-CZ 3.89Å; F108-F213 HydrophobicContact CD2-CE2 4.49Å; F108-F213 HydrophobicContact CE1-CE1 4.42Å; F108-F213 AromaticContact CE1-CE2 3.48Å; F108-F213 HydrophobicContact CE1-CE2 3.48Å; F108-F213 VanDerWaalsContact CE1-CE2 3.48Å; F108-F213 AromaticContact CE1-CZ 3.33Å; F108-F213 HydrophobicContact CE1-CZ 3.33Å; F108-F213 HydrophobicContact CE2-CE2 4.46Å; F108-F213 HydrophobicContact CE2-CZ 4.27Å; F108-F213 HydrophobicContact CG-CE2 4.02Å; F108-F213 AromaticContact CZ-CE2 3.98Å; F108-F213 HydrophobicContact CZ-CE2 3.98Å; F108-F213 AromaticContact CZ-CZ 3.55Å; F108-F213 HydrophobicContact CZ-CZ 3.55Å; F108-Y283 AromaticContact CE2-CD1 3.59Å; F108-Y283 HydrophobicContact CE2-CD1 3.59Å; F108-Y283 AromaticContact CE2-CE1 3.66Å; F108-Y283 HydrophobicContact CE2-CE1 3.66Å; F108-Y283 AromaticContact CZ-CD1 3.77Å; F108-Y283 HydrophobicContact CZ-CD1 3.77Å; F108-Y283 HydrophobicContact CZ-CE1 4.12Å; F108-Y283 VanDerWaalsContact CZ-O 3.31Å; F108-Y283 WeakPolarHBondContact CZ-O 3.38Å; F108-I284 HydrophobicContact CE1-CD1 4.1Å; F108-P285 HydrophobicContact CD1-CG 4.12Å; F108-P285 HydrophobicContact CD2-CG 4.32Å; F108-P285 VanDerWaalsContact CE1-CD 3.45Å; F108-P285 HydrophobicContact CE1-CG 4.2Å; F108-P285 HydrophobicContact CE2-CG 4.43Å; F108-P285 HydrophobicContact CG-CG 4.19Å; F108-P285 VanDerWaalsContact CZ-CD 3.49Å; F108-P285 HydrophobicContact CZ-CG 4.37Å; F108-L288 HydrophobicContact CD1-CD2 4Å; F108-L288 HydrophobicContact CE1-CD2 4.2Å
109	R	94.8	Very high	93.7	Very high	90 Å²	90	57.5 Å²	57.5	34%	0.34	28%	0.283	S	S	.	.	H	α-helix	trans	-61.2	-46.9	174.2	-68.9	-174.6	-77.4	158.9	0.5	110.7	F101 L104 E105 P106 L112 F113	F101-R109 HydrophobicContact CD1-CG 4.35Å; F101-R109 HydrophobicContact CD2-CG 4.47Å; F101-R109 HydrophobicContact CE1-CB 4.14Å; F101-R109 HydrophobicContact CE1-CG 3.9Å; F101-R109 HydrophobicContact CE2-CB 4.09Å; F101-R109 HydrophobicContact CE2-CG 4.05Å; F101-R109 HydrophobicContact CZ-CB 3.62Å; F101-R109 HydrophobicContact CZ-CG 3.74Å; F101-R109 WeakPolarHBondContact O-CD 3.29Å; L104-R109 HydrophobicContact CB-CG 3.84Å; L104-R109 PolarHBondContact O-NE 2.83Å; E105-R109 PolarHBondContact O-N 3.43Å; P106-R109 PolarHBondContact O-N 3.27Å; R109-L112 PolarHBondContact O-N 3.37Å; R109-F113 HydrophobicContact CB-CE2 4.44Å; R109-F113 WeakPolarHBondContact O-CD2 3.38Å; R109-F113 WeakPolarHBondContact O-CG 3.27Å; R109-F113 PolarHBondContact O-N 2.89Å
110	Q	94.3	Very high	94.1	Very high	102 Å²	102	54 Å²	54	48%	0.477	26%	0.257	S	S	.	.	H	α-helix	trans	-57.3	-51.1	175	-176	66.7	14.8	0	0	111.4	P106 L112 F113 Y114	P106-Q110 WeakPolarHBondContact O-CB 3.41Å; P106-Q110 PolarHBondContact O-N 2.8Å; Q110-L112 PolarHBondContact O-N 3.41Å; Q110-F113 PolarHBondContact O-N 2.95Å; Q110-Y114 WeakPolarHBondContact O-CD2 3.37Å; Q110-Y114 PolarHBondContact O-N 2.95Å
111	F	95.6	Very high	94.5	Very high	14 Å²	14	50.2 Å²	50.2	6%	0.061	25%	0.245	C	C	.	.	H	α-helix	trans	-56.1	-49.2	177.7	174.9	-97.4	0	0	0	112.1	Q107 F108 F113 Y114 R115 F213 L322 P324	Q107-F111 WeakPolarHBondContact O-CB 3.26Å; Q107-F111 PolarHBondContact O-N 2.62Å; F108-F111 PolarHBondContact O-N 3.07Å; F111-F113 PolarHBondContact O-N 3.28Å; F111-Y114 CarbonylContact O-C 3.58Å; F111-Y114 PolarHBondContact O-N 2.9Å; F111-R115 HydrophobicContact CE1-CG 4.18Å; F111-R115 HydrophobicContact CZ-CG 4.29Å; F111-R115 WeakPolarHBondContact O-CA 3.49Å; F111-R115 WeakPolarHBondContact O-CB 3.2Å; F111-R115 PolarHBondContact O-N 2.82Å; F111-F213 HydrophobicContact CB-CD2 3.95Å; F111-F213 HydrophobicContact CD2-CB 3.94Å; F111-F213 HydrophobicContact CG-CD2 4.38Å; F111-L322 HydrophobicContact CZ-CB 4.19Å; F111-L322 VanDerWaalsContact CZ-O 3.3Å; F111-L322 WeakPolarHBondContact CZ-O 3.37Å; F111-P324 HydrophobicContact CD2-CB 4.25Å; F111-P324 HydrophobicContact CE1-CB 4.36Å; F111-P324 HydrophobicContact CE1-CG 4.43Å; F111-P324 HydrophobicContact CE2-CB 4.08Å; F111-P324 HydrophobicContact CG-CB 4.44Å; F111-P324 HydrophobicContact CZ-CB 4.14Å
112	L	95.5	Very high	94.7	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-67.1	-35	-178.2	-77.3	173.9	0	0	0	113.5	L95 W100 F101 L104 F108 R109 Q110 Y114 L288	L95-L112 HydrophobicContact CD1-CB 3.84Å; L95-L112 WeakPolarHBondContact CD1-O 3.46Å; W100-L112 HydrophobicContact CH2-CD1 4.07Å; W100-L112 HydrophobicContact CZ3-CD1 3.75Å; F101-L112 HydrophobicContact CD2-CD1 4.01Å; F101-L112 HydrophobicContact CE2-CB 3.86Å; F101-L112 HydrophobicContact CE2-CD1 4.1Å; L104-L112 HydrophobicContact CD1-CD1 3.55Å; F108-L112 WeakPolarHBondContact O-CB 3.23Å; F108-L112 WeakPolarHBondContact O-CG 3.37Å; F108-L112 PolarHBondContact O-N 3.33Å; R109-L112 PolarHBondContact O-N 3.37Å; Q110-L112 PolarHBondContact O-N 3.41Å; L112-Y114 PolarHBondContact O-N 2.94Å; L112-L288 HydrophobicContact CD1-CD1 4.42Å; L112-L288 HydrophobicContact CD2-CD1 3.64Å; L112-L288 HydrophobicContact CG-CD1 4.22Å
113	F	95.1	Very high	95.1	Very high	40 Å²	40	48.3 Å²	48.3	18%	0.175	24%	0.241	C	C	.	.	H	α-helix	trans	-58.5	-39.1	175.4	-82	-45.1	0	0	0	112.4	A91 N92 T96 F101 R109 Q110 F111 H116	A91-F113 HydrophobicContact CB-CB 4.24Å; A91-F113 HydrophobicContact CB-CD1 4.43Å; A91-F113 HydrophobicContact CB-CG 4.39Å; N92-F113 WeakPolarHBondContact CB-O 3.26Å; N92-F113 PolarHBondContact N-O 3.47Å; N92-F113 VanDerWaalsContact O-CD1 3.32Å; N92-F113 WeakPolarHBondContact O-CD1 3.49Å; T96-F113 HydrophobicContact CG2-CE1 3.66Å; T96-F113 HydrophobicContact CG2-CZ 3.7Å; F101-F113 AromaticContact CE1-CE1 3.8Å; F101-F113 HydrophobicContact CE1-CE1 3.8Å; F101-F113 HydrophobicContact CE1-CE2 4.02Å; F101-F113 AromaticContact CE1-CZ 3.45Å; F101-F113 HydrophobicContact CE1-CZ 3.45Å; F101-F113 VanDerWaalsContact CE1-CZ 3.45Å; F101-F113 AromaticContact CZ-CD1 3.92Å; F101-F113 HydrophobicContact CZ-CD1 3.92Å; F101-F113 HydrophobicContact CZ-CD2 4.05Å; F101-F113 AromaticContact CZ-CE1 3.51Å; F101-F113 HydrophobicContact CZ-CE1 3.51Å; F101-F113 AromaticContact CZ-CE2 3.67Å; F101-F113 HydrophobicContact CZ-CE2 3.67Å; F101-F113 HydrophobicContact CZ-CG 4.17Å; F101-F113 AromaticContact CZ-CZ 3.39Å; F101-F113 HydrophobicContact CZ-CZ 3.39Å; R109-F113 HydrophobicContact CB-CE2 4.44Å; R109-F113 WeakPolarHBondContact O-CD2 3.38Å; R109-F113 WeakPolarHBondContact O-CG 3.27Å; R109-F113 PolarHBondContact O-N 2.89Å; Q110-F113 PolarHBondContact O-N 2.95Å; F111-F113 PolarHBondContact O-N 3.28Å; F113-H116 PolarHBondContact O-CE1 3.47Å; F113-H116 VanDerWaalsContact O-CE1 3.28Å; F113-H116 PolarHBondContact O-ND1 3.46Å
114	Y	95.8	Very high	95.5	Very high	90 Å²	90	46.7 Å²	46.7	35%	0.353	22%	0.218	S	C	.	.	H	α-helix	trans	-110.8	7.8	-172.3	-62.3	-72.6	0	0	0	113.6	C89 A91 Q110 F111 L112 H116 C117	C89-Y114 WeakPolarHBondContact SG-CD1 3.3Å; A91-Y114 HydrophobicContact CB-CE1 3.92Å; A91-Y114 HydrophobicContact CB-CE2 4.42Å; Q110-Y114 WeakPolarHBondContact O-CD2 3.37Å; Q110-Y114 PolarHBondContact O-N 2.95Å; F111-Y114 CarbonylContact O-C 3.58Å; F111-Y114 PolarHBondContact O-N 2.9Å; L112-Y114 PolarHBondContact O-N 2.94Å; Y114-H116 PolarHBondContact O-N 3.48Å; Y114-C117 VanDerWaalsContact O-CB 3.31Å; Y114-C117 WeakPolarHBondContact O-CB 3.48Å; Y114-C117 PolarHBondContact O-N 3.31Å
115	R	95.1	Very high	95.7	Very high	40 Å²	40	48.4 Å²	48.4	15%	0.151	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-28.3	-176.8	-174.9	175.8	62.3	162.3	4.3	114.5	F61 F111 C117 E321 L322	F61-R115 VanDerWaalsContact CE2-NH1 3.35Å; F111-R115 HydrophobicContact CE1-CG 4.18Å; F111-R115 HydrophobicContact CZ-CG 4.29Å; F111-R115 WeakPolarHBondContact O-CA 3.49Å; F111-R115 WeakPolarHBondContact O-CB 3.2Å; F111-R115 PolarHBondContact O-N 2.82Å; R115-C117 VanDerWaalsContact C-N 3.31Å; R115-E321 IonicContact CZ-OE1 2.75Å; R115-E321 IonicContact CZ-OE2 3.89Å; R115-E321 IonicContact NE-OE2 2.79Å; R115-E321 IonicContact NH1-OE1 2.82Å; R115-E321 IonicContact NH1-OE2 3.44Å; R115-E321 PolarHBondContact NH1-OE2 3.34Å; R115-E321 IonicContact NH2-OE1 3.97Å; R115-E321 PolarHBondContact NH2-OE1 2.95Å; R115-E321 IonicContact NH2-OE2 3.17Å; R115-E321 PolarHBondContact NH2-OE2 3.05Å; R115-L322 WeakPolarHBondContact CD-O 3.4Å; R115-L322 HydrophobicContact CG-CB 4.09Å
116	H	94.1	Very high	95.9	Very high	100 Å²	100	47.5 Å²	47.5	46%	0.463	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.8	179.3	64.6	-79.3	0	0	0	113	S90 F113 Y114 R118	S90-H116 PolarHBondContact O-CE1 3.37Å; S90-H116 PolarHBondContact O-NE2 3.08Å; F113-H116 PolarHBondContact O-CE1 3.47Å; F113-H116 VanDerWaalsContact O-CE1 3.28Å; F113-H116 PolarHBondContact O-ND1 3.46Å; Y114-H116 PolarHBondContact O-N 3.48Å; H116-R118 PolarHBondContact O-N 3.11Å
117	C	95.5	Very high	96	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.074	21%	0.213	C	C	.	.			trans	-88.2	97.5	177.9	-54.9	0	0	0	0	109.4	C89 Y114 R115 F120	C89-C117 HydrophobicContact CB-CB 3.66Å; C89-C117 WeakPolarHBondContact CB-SG 3.38Å; C89-C117 WeakPolarHBondContact SG-CB 3.33Å; C89-C117 CovalentContact SG-SG 1.99Å; C89-C117 PolarHBondContact SG-SG 2.86Å; Y114-C117 VanDerWaalsContact O-CB 3.31Å; Y114-C117 WeakPolarHBondContact O-CB 3.48Å; Y114-C117 PolarHBondContact O-N 3.31Å; R115-C117 VanDerWaalsContact C-N 3.31Å; C117-F120 HydrophobicContact CB-CZ 4.17Å; C117-F120 WeakPolarHBondContact O-CE2 3.2Å
118	R	95.1	Very high	96.2	Very high	42 Å²	42	46.9 Å²	46.9	16%	0.158	22%	0.217	C	C	.	.			trans	-96.7	-44	-167	-62.3	175.7	67.2	85.4	6.4	113.2	H116 L217 I220 H221 C317 D318 L320 L322	H116-R118 PolarHBondContact O-N 3.11Å; R118-L217 WeakPolarHBondContact O-CD2 3.47Å; R118-I220 HydrophobicContact CB-CD1 3.92Å; R118-I220 VanDerWaalsContact O-CD1 3.28Å; R118-I220 WeakPolarHBondContact O-CD1 3.41Å; R118-H221 PolarHBondContact O-CE1 3.46Å; R118-C317 PolarHBondContact NH2-O 2.82Å; R118-D318 IonicContact CZ-OD1 2.81Å; R118-D318 IonicContact NE-OD1 3.63Å; R118-D318 PolarHBondContact NE-OD1 2.67Å; R118-D318 VanDerWaalsContact NE-OD1 3.17Å; R118-D318 IonicContact NH2-OD1 3.63Å; R118-D318 PolarHBondContact NH2-OD1 2.82Å; R118-L320 PolarHBondContact NH1-O 2.95Å; R118-L322 HydrophobicContact CG-CD1 4.24Å; R118-L322 HydrophobicContact CG-CG 4.49Å; R118-L322 VanDerWaalsContact NH1-CD2 3.33Å
119	Y	96.4	Very high	96.2	Very high	40 Å²	40	47.9 Å²	47.9	16%	0.157	22%	0.222	C	C	.	.			trans	-117.4	139.3	-172	-63	-68.3	0	0	0	112.4	W82 T87 I220 K224 H314 D318	W82-Y119 HydrophobicContact CH2-CD1 4.15Å; W82-Y119 HydrophobicContact CZ2-CD1 4.45Å; T87-Y119 PolarHBondContact OG1-O 3.37Å; Y119-I220 HydrophobicContact CE1-CB 4.42Å; Y119-I220 HydrophobicContact CE1-CD1 4.28Å; Y119-I220 HydrophobicContact CE1-CG1 4.22Å; Y119-K224 HydrophobicContact CD1-CD 3.81Å; Y119-K224 HydrophobicContact CE1-CB 3.99Å; Y119-K224 HydrophobicContact CE1-CD 3.55Å; Y119-K224 HydrophobicContact CE1-CG 4.38Å; Y119-K224 HydrophobicContact CG-CD 4.4Å; Y119-H314 PolarHBondContact OH-CE1 2.98Å; Y119-D318 PolarHBondContact OH-OD1 3.47Å; Y119-D318 PolarHBondContact OH-OD2 2.77Å
120	F	97.6	Very high	96.2	Very high	29 Å²	29	44.5 Å²	44.5	13%	0.127	21%	0.212	C	C	.	.			trans	-128.2	154	-174.2	-64.6	-100.6	0	0	0	111.3	W82 T87 C117 D207 F208 L217 H221	W82-F120 VanDerWaalsContact CZ2-O 3.26Å; W82-F120 WeakPolarHBondContact CZ2-O 3.31Å; W82-F120 PolarHBondContact NE1-O 3.08Å; W82-F120 VanDerWaalsContact NE1-O 3.12Å; T87-F120 HydrophobicContact CG2-CD1 3.82Å; T87-F120 HydrophobicContact CG2-CE1 3.74Å; T87-F120 HydrophobicContact CG2-CG 4.47Å; T87-F120 HydrophobicContact CG2-CZ 4.31Å; T87-F120 WeakPolarHBondContact OG1-CA 3.33Å; C117-F120 HydrophobicContact CB-CZ 4.17Å; C117-F120 WeakPolarHBondContact O-CE2 3.2Å; F120-D207 WeakPolarHBondContact CD1-O 3.2Å; F120-F208 HydrophobicContact CB-CB 4.44Å; F120-F208 HydrophobicContact CB-CD1 4.47Å; F120-F208 HydrophobicContact CD1-CB 3.93Å; F120-F208 HydrophobicContact CD2-CB 3.92Å; F120-F208 HydrophobicContact CD2-CD1 4.3Å; F120-F208 HydrophobicContact CE1-CB 4.09Å; F120-F208 HydrophobicContact CE2-CB 4.09Å; F120-F208 HydrophobicContact CG-CB 3.83Å; F120-F208 HydrophobicContact CG-CD1 4.48Å; F120-F208 HydrophobicContact CZ-CB 4.17Å; F120-L217 HydrophobicContact CD2-CD1 4.5Å; F120-L217 HydrophobicContact CE2-CD1 3.75Å; F120-L217 HydrophobicContact CE2-CD2 4.1Å; F120-L217 HydrophobicContact CZ-CD1 4.28Å; F120-H221 AromaticContact CD2-CE1 3.59Å; F120-H221 AromaticContact CD2-NE2 3.56Å; F120-H221 PolarHBondContact N-NE2 3.05Å
121	P	97.5	Very high	96.1	Very high	18 Å²	18	41.7 Å²	41.7	12%	0.117	21%	0.21	C	C	.	.			trans	-57.8	148.1	176.7	-24.9	34.3	0	0	0	112.6	V84 T85 T87 W206 D207	V84-P121 VanDerWaalsContact O-CA 3.32Å; V84-P121 WeakPolarHBondContact O-CA 3.23Å; T85-P121 WeakPolarHBondContact O-CG 3.35Å; T87-P121 VanDerWaalsContact OG1-CD 3.28Å; T87-P121 WeakPolarHBondContact OG1-CD 3.26Å; P121-W206 CarbonylContact O-C 3.55Å; P121-W206 WeakPolarHBondContact O-CA 3.5Å; P121-D207 PolarHBondContact O-N 3.42Å
122	M	97.3	Very high	95.9	Very high	34 Å²	34	44.7 Å²	44.7	17%	0.167	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	134.6	168	-74.7	-168.9	81.5	0	0	110.3	W82 L124 N125 L204 Q205 W206 W225	W82-M122 HydrophobicContact CB-CG 4.48Å; W82-M122 HydrophobicContact CB-SD 3.98Å; W82-M122 HydrophobicContact CD2-CG 3.77Å; W82-M122 HydrophobicContact CD2-SD 3.74Å; W82-M122 HydrophobicContact CE3-CG 4.42Å; W82-M122 HydrophobicContact CE3-SD 3.95Å; W82-M122 HydrophobicContact CG-CB 4.48Å; W82-M122 HydrophobicContact CG-CG 3.76Å; W82-M122 HydrophobicContact CG-SD 3.74Å; M122-L124 VanDerWaalsContact CE-O 3.27Å; M122-L124 WeakPolarHBondContact CE-O 3.44Å; M122-N125 HydrophobicContact CE-CB 3.61Å; M122-N125 WeakPolarHBondContact CE-OD1 3.47Å; M122-N125 HydrophobicContact SD-CB 4.19Å; M122-L204 HydrophobicContact CE-CD2 4.17Å; M122-Q205 WeakPolarHBondContact CA-O 3.45Å; M122-W206 HydrophobicContact CE-CZ2 4.01Å; M122-W206 HydrophobicContact CG-CG 4.35Å; M122-W225 VanDerWaalsContact CE-CD1 3.49Å; M122-W225 VanDerWaalsContact SD-CD1 3.57Å
123	L	97.1	Very high	95.9	Very high	74 Å²	74	50 Å²	50	39%	0.387	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	-38.1	174.6	-59.7	179.8	0	0	0	111.3	T179 Q205 D207	L123-T179 HydrophobicContact CD1-CG2 3.6Å; L123-Q205 HydrophobicContact CB-CB 4.24Å; L123-Q205 HydrophobicContact CB-CG 4.25Å; L123-Q205 HydrophobicContact CD1-CG 4.22Å; L123-Q205 PolarHBondContact N-O 3.19Å; L123-D207 HydrophobicContact CD1-CB 4.05Å; L123-D207 HydrophobicContact CD2-CB 4.04Å; L123-D207 HydrophobicContact CG-CB 4.02Å
124	L	98.3	Very high	96	Very high	25 Å²	25	48.4 Å²	48.4	13%	0.131	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	134.4	177	-59.2	174	0	0	0	108.6	M122 L193 D197 I203 Q205	M122-L124 VanDerWaalsContact CE-O 3.27Å; M122-L124 WeakPolarHBondContact CE-O 3.44Å; L124-L193 HydrophobicContact CD1-CD2 3.82Å; L124-L193 HydrophobicContact CD1-CG 4.12Å; L124-D197 HydrophobicContact CD1-CB 4.02Å; L124-I203 WeakPolarHBondContact CB-O 3.42Å; L124-I203 HydrophobicContact CD1-CB 4.39Å; L124-I203 HydrophobicContact CD1-CG2 3.92Å; L124-Q205 HydrophobicContact CB-CB 3.9Å; L124-Q205 HydrophobicContact CD1-CB 4.09Å; L124-Q205 HydrophobicContact CG-CB 4.07Å; L124-Q205 PolarHBondContact N-O 2.96Å; L124-Q205 PolarHBondContact O-N 3.23Å; L124-Q205 VanDerWaalsContact O-N 3.1Å
125	N	98.1	Very high	96.1	Very high	50 Å²	50	45.3 Å²	45.3	27%	0.267	25%	0.254	S	S	.	.			trans	-146.8	139.2	-171.4	-172.6	17.9	0	0	0	111.5	M122 W225 Y229	M122-N125 HydrophobicContact CE-CB 3.61Å; M122-N125 WeakPolarHBondContact CE-OD1 3.47Å; M122-N125 HydrophobicContact SD-CB 4.19Å; N125-W225 PolarHBondContact OD1-NE1 2.91Å; N125-Y229 PolarHBondContact ND2-OH 3.1Å
126	H	97.8	Very high	96.3	Very high	15 Å²	15	43.5 Å²	43.5	7%	0.069	25%	0.248	C	C	.	.			trans	-135.7	64.6	-177.6	-66.3	-67	0	0	0	113.3	E128 K129 L174 D197 G201 I203 L204 W225	H126-E128 VanDerWaalsContact CA-OE2 3.25Å; H126-E128 WeakPolarHBondContact CA-OE2 3.31Å; H126-E128 WeakPolarHBondContact CB-OE1 3.44Å; H126-E128 IonicContact CE1-OE1 3.83Å; H126-E128 IonicContact CG-OE1 2.71Å; H126-E128 IonicContact ND1-OE1 3.06Å; H126-E128 PolarHBondContact ND1-OE1 3.29Å; H126-E128 PolarHBondContact O-N 3.28Å; H126-K129 HydrophobicContact CB-CB 4.43Å; H126-K129 HydrophobicContact CB-CG 3.82Å; H126-K129 WeakPolarHBondContact O-CB 3.44Å; H126-K129 PolarHBondContact O-N 3.39Å; H126-K129 VanDerWaalsContact O-N 3.12Å; H126-L174 HydrophobicContact CB-CD2 4.42Å; H126-D197 IonicContact CD2-OD1 3.29Å; H126-D197 IonicContact CE1-OD1 2.69Å; H126-D197 IonicContact CE1-OD2 3.57Å; H126-D197 IonicContact NE2-OD1 2.68Å; H126-D197 PolarHBondContact NE2-OD1 3.27Å; H126-D197 IonicContact NE2-OD2 3.59Å; H126-G201 VanDerWaalsContact CE1-CA 3.44Å; H126-G201 WeakPolarHBondContact CE1-CA 3.4Å; H126-G201 VanDerWaalsContact CG-O 3.25Å; H126-G201 PolarHBondContact ND1-O 2.93Å; H126-I203 PolarHBondContact CD2-O 3.06Å; H126-I203 PolarHBondContact NE2-O 3.22Å; H126-L204 HydrophobicContact CB-CD2 4.29Å; H126-W225 WeakPolarHBondContact O-CZ2 3.37Å
127	P	96.7	Very high	96.5	Very high	51 Å²	51	38.7 Å²	38.7	33%	0.331	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-59.5	-28	178.8	28	-36.4	0	0	0	112.8	K129 C130 Y229	P127-K129 PolarHBondContact O-N 3.5Å; P127-C130 PolarHBondContact O-N 3.02Å; P127-C130 VanDerWaalsContact O-N 3.14Å; P127-Y229 HydrophobicContact CB-CD1 3.48Å; P127-Y229 VanDerWaalsContact CB-CD1 3.48Å; P127-Y229 HydrophobicContact CB-CE1 3.86Å; P127-Y229 HydrophobicContact CB-CG 3.96Å
128	E	96.3	Very high	96.6	Very high	113 Å²	113	38.5 Å²	38.5	53%	0.528	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-61.8	-22.2	177	73	-74.2	176	0	0	113.6	H126 C130 G131	H126-E128 VanDerWaalsContact CA-OE2 3.25Å; H126-E128 WeakPolarHBondContact CA-OE2 3.31Å; H126-E128 WeakPolarHBondContact CB-OE1 3.44Å; H126-E128 IonicContact CE1-OE1 3.83Å; H126-E128 IonicContact CG-OE1 2.71Å; H126-E128 IonicContact ND1-OE1 3.06Å; H126-E128 PolarHBondContact ND1-OE1 3.29Å; H126-E128 PolarHBondContact O-N 3.28Å; E128-C130 PolarHBondContact O-N 2.64Å; E128-G131 PolarHBondContact O-N 3.15Å
129	K	96.3	Very high	96.8	Very high	25 Å²	25	36.5 Å²	36.5	11%	0.109	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-65.7	-18.6	176.1	-74.8	-76.3	-172.2	174.4	0	113.2	H126 P127 E160 R172 L174 G201	H126-K129 HydrophobicContact CB-CB 4.43Å; H126-K129 HydrophobicContact CB-CG 3.82Å; H126-K129 WeakPolarHBondContact O-CB 3.44Å; H126-K129 PolarHBondContact O-N 3.39Å; H126-K129 VanDerWaalsContact O-N 3.12Å; P127-K129 PolarHBondContact O-N 3.5Å; K129-E160 IonicContact NZ-OE1 3.7Å; K129-E160 PolarHBondContact NZ-OE1 2.93Å; K129-E160 IonicContact NZ-OE2 3.56Å; K129-E160 PolarHBondContact NZ-OE2 2.8Å; K129-R172 WeakPolarHBondContact O-CG 3.37Å; K129-L174 HydrophobicContact CB-CD2 4.13Å; K129-L174 HydrophobicContact CG-CD2 3.88Å; K129-G201 WeakPolarHBondContact CE-O 3.4Å
130	C	94.9	Very high	96.9	Very high	19 Å²	19	34.6 Å²	34.6	13%	0.128	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-101.7	7.5	173	-70.8	0	0	0	0	113.2	P127 E128 Y229 C230	P127-C130 PolarHBondContact O-N 3.02Å; P127-C130 VanDerWaalsContact O-N 3.14Å; E128-C130 PolarHBondContact O-N 2.64Å; C130-Y229 VanDerWaalsContact CB-O 3.26Å; C130-Y229 WeakPolarHBondContact CB-O 3.35Å; C130-C230 HydrophobicContact CB-CB 3.7Å; C130-C230 WeakPolarHBondContact CB-SG 3.4Å; C130-C230 WeakPolarHBondContact SG-CB 3.29Å; C130-C230 CovalentContact SG-SG 2.01Å; C130-C230 PolarHBondContact SG-SG 3.25Å
131	G	91.6	Very high	97	Very high	43 Å²	43	33.8 Å²	33.8	44%	0.443	21%	0.205	S	C	.	.			trans	-73.4	145.9	172.1	0	0	0	0	0	112.5	E128	E128-G131 PolarHBondContact O-N 3.15Å
132	G	92	Very high	97	Very high	76 Å²	76	33 Å²	33	78%	0.784	20%	0.201	S	C	*	.	S	Bend	trans	79.4	-159.8	-179.7	0	0	0	0	0	113.6	V134	G132-V134 PolarHBondContact O-N 3.44Å
133	D	95.6	Very high	97	Very high	114 Å²	114	33.7 Å²	33.7	61%	0.61	21%	0.207	S	C	*	.			trans	-89	92.5	178	-179.2	21.7	0	0	0	110.1	G169 A170	D133-G169 CarbonylContact O-C 3.58Å; D133-G169 VanDerWaalsContact O-CA 3.28Å; D133-G169 WeakPolarHBondContact O-CA 3.33Å; D133-G169 VanDerWaalsContact OD2-CA 3.25Å; D133-G169 WeakPolarHBondContact OD2-CA 3.23Å; D133-G169 PolarHBondContact OD2-N 3.43Å; D133-A170 PolarHBondContact O-N 3.26Å
134	V	97.6	Very high	96.9	Very high	7 Å²	7	30.7 Å²	30.7	4%	0.042	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118.4	176.2	178	0	0	0	0	109.2	G132 R172 V233 P234	G132-V134 PolarHBondContact O-N 3.44Å; V134-R172 HydrophobicContact CG1-CB 4.36Å; V134-R172 HydrophobicContact CG1-CG 3.99Å; V134-R172 HydrophobicContact CG2-CG 3.91Å; V134-V233 HydrophobicContact CB-CG2 4.15Å; V134-V233 HydrophobicContact CG1-CG2 4.08Å; V134-P234 WeakPolarHBondContact O-CD 3.46Å
135	Y	97.9	Very high	96.8	Very high	25 Å²	25	32.1 Å²	32.1	10%	0.098	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-40.8	179.6	-177.4	-101.4	0	0	0	113.1	A164 R168 G169 A170 P234 F235 L251 L254	Y135-A164 HydrophobicContact CD1-CB 3.64Å; Y135-A164 HydrophobicContact CE1-CB 4.39Å; Y135-A164 HydrophobicContact CG-CB 4.12Å; Y135-R168 HydrophobicContact CD1-CB 4.41Å; Y135-R168 HydrophobicContact CD2-CB 3.89Å; Y135-R168 HydrophobicContact CD2-CG 4.2Å; Y135-R168 HydrophobicContact CE2-CB 4.23Å; Y135-R168 HydrophobicContact CE2-CG 4.05Å; Y135-R168 HydrophobicContact CG-CB 3.98Å; Y135-R168 PolarHBondContact OH-NH1 3.29Å; Y135-G169 WeakPolarHBondContact CB-O 3.35Å; Y135-A170 PolarHBondContact N-O 2.69Å; Y135-P234 HydrophobicContact CD2-CG 3.87Å; Y135-P234 HydrophobicContact CE2-CG 4.37Å; Y135-P234 HydrophobicContact CG-CG 4.42Å; Y135-P234 WeakPolarHBondContact O-CD 3.16Å; Y135-P234 VanDerWaalsContact O-CG 3.23Å; Y135-P234 WeakPolarHBondContact O-CG 3.46Å; Y135-F235 HydrophobicContact CE1-CD2 4.01Å; Y135-F235 HydrophobicContact CE1-CE2 4.46Å; Y135-F235 AromaticContact CE2-CD2 3.93Å; Y135-F235 HydrophobicContact CE2-CD2 3.93Å; Y135-F235 AromaticContact CE2-CE2 3.87Å; Y135-F235 HydrophobicContact CE2-CE2 3.87Å; Y135-F235 AromaticContact CZ-CD2 3.62Å; Y135-F235 AromaticContact CZ-CE2 3.65Å; Y135-F235 PolarHBondContact O-N 3.12Å; Y135-F235 WeakPolarHBondContact OH-CE2 3.31Å; Y135-L251 HydrophobicContact CD1-CD2 4.03Å; Y135-L251 HydrophobicContact CE1-CD2 4.01Å; Y135-L254 HydrophobicContact CE1-CB 4.29Å; Y135-L254 HydrophobicContact CE1-CD1 4.32Å; Y135-L254 PolarHBondContact OH-O 3.33Å
136	L	98.3	Very high	96.7	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	124	-177.7	178.7	61.9	0	0	0	110.4	V138 A170 V171 R172 F235 F237 L251 L254 L304	L136-V138 HydrophobicContact CD2-CG2 4.24Å; L136-V138 HydrophobicContact CG-CG2 4.24Å; L136-A170 PolarHBondContact N-O 3.38Å; L136-V171 HydrophobicContact CB-CG1 4.3Å; L136-V171 HydrophobicContact CB-CG2 4.28Å; L136-V171 HydrophobicContact CD2-CG1 4.25Å; L136-V171 HydrophobicContact CG-CG1 4.38Å; L136-V171 WeakPolarHBondContact O-CA 3.39Å; L136-R172 PolarHBondContact O-N 3.34Å; L136-F235 WeakPolarHBondContact CA-O 3.42Å; L136-F235 HydrophobicContact CD1-CB 3.96Å; L136-F237 HydrophobicContact CD1-CB 4.12Å; L136-L251 HydrophobicContact CB-CD2 4.49Å; L136-L251 HydrophobicContact CD2-CD2 3.92Å; L136-L254 HydrophobicContact CD1-CD1 4.13Å; L136-L254 HydrophobicContact CD2-CD1 4.48Å; L136-L304 HydrophobicContact CD1-CD2 4.31Å
137	L	98.5	Very high	96.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	117.3	167.3	-165	66.2	0	0	0	109.4	V139 R172 L174 F222 W225 L226 V233 F235 I236 F237	L137-V139 HydrophobicContact CB-CG2 4.32Å; L137-V139 HydrophobicContact CD2-CG2 3.81Å; L137-V139 HydrophobicContact CG-CG2 3.65Å; L137-R172 HydrophobicContact CD1-CB 3.9Å; L137-L174 HydrophobicContact CD1-CD1 3.8Å; L137-L174 HydrophobicContact CD1-CG 4.17Å; L137-L174 HydrophobicContact CD2-CD1 4.03Å; L137-L174 HydrophobicContact CG-CD1 4.26Å; L137-F222 HydrophobicContact CD2-CE2 4.13Å; L137-F222 HydrophobicContact CD2-CZ 4.36Å; L137-W225 HydrophobicContact CD2-CZ3 4.37Å; L137-L226 HydrophobicContact CD2-CD1 3.78Å; L137-V233 HydrophobicContact CB-CG1 4Å; L137-F235 PolarHBondContact N-O 3.31Å; L137-I236 HydrophobicContact CB-CG1 4.37Å; L137-I236 WeakPolarHBondContact O-CA 3.47Å; L137-F237 PolarHBondContact O-N 2.99Å
138	V	98.8	Very high	96.7	Very high	6 Å²	6	38 Å²	38	4%	0.036	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	114.7	173.7	175.7	0	0	0	0	107.7	L136 V140 W157 V171 R172 T173 L174 F237	L136-V138 HydrophobicContact CD2-CG2 4.24Å; L136-V138 HydrophobicContact CG-CG2 4.24Å; V138-V140 HydrophobicContact CG1-CG2 4.15Å; V138-W157 HydrophobicContact CG1-CE3 4.18Å; V138-W157 HydrophobicContact CG1-CZ3 3.69Å; V138-V171 HydrophobicContact CG2-CG1 3.8Å; V138-R172 PolarHBondContact N-O 3.15Å; V138-T173 HydrophobicContact CB-CG2 4.43Å; V138-T173 HydrophobicContact CG1-CG2 4.2Å; V138-T173 CarbonylContact O-C 3.52Å; V138-T173 VanDerWaalsContact O-CA 3.28Å; V138-T173 WeakPolarHBondContact O-CA 3.32Å; V138-L174 PolarHBondContact O-N 3.12Å; V138-F237 HydrophobicContact CG1-CD1 4.06Å
139	V	98.7	Very high	96.8	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.7	-170.4	-178.5	0	0	0	0	109.4	L137 L174 L176 F222 I236 F237 K238 G239	L137-V139 HydrophobicContact CB-CG2 4.32Å; L137-V139 HydrophobicContact CD2-CG2 3.81Å; L137-V139 HydrophobicContact CG-CG2 3.65Å; V139-L174 WeakPolarHBondContact CA-O 3.02Å; V139-L176 HydrophobicContact CG1-CD1 3.41Å; V139-L176 VanDerWaalsContact CG1-CD1 3.41Å; V139-L176 HydrophobicContact CG1-CD2 3.8Å; V139-L176 HydrophobicContact CG1-CG 3.53Å; V139-F222 HydrophobicContact CB-CE2 4.29Å; V139-F222 HydrophobicContact CB-CZ 4.19Å; V139-F222 HydrophobicContact CG1-CD1 4.31Å; V139-F222 HydrophobicContact CG1-CD2 3.87Å; V139-F222 HydrophobicContact CG1-CE1 4.21Å; V139-F222 HydrophobicContact CG1-CE2 3.76Å; V139-F222 HydrophobicContact CG1-CG 4.16Å; V139-F222 HydrophobicContact CG1-CZ 3.96Å; V139-F222 HydrophobicContact CG2-CD2 4.49Å; V139-F222 HydrophobicContact CG2-CE1 4.38Å; V139-F222 HydrophobicContact CG2-CE2 3.59Å; V139-F222 HydrophobicContact CG2-CZ 3.54Å; V139-I236 HydrophobicContact CB-CG2 4.35Å; V139-I236 HydrophobicContact CG2-CG2 3.83Å; V139-F237 PolarHBondContact N-O 3.17Å; V139-K238 CarbonylContact O-C 3.56Å; V139-K238 VanDerWaalsContact O-CA 3.26Å; V139-K238 WeakPolarHBondContact O-CA 3.48Å; V139-G239 PolarHBondContact O-N 2.01Å
140	V	98.8	Very high	96.9	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	119.5	-169.7	-173.3	0	0	0	0	110	V138 S142 I153 W157 L174 F175 L176 G239 D241	V138-V140 HydrophobicContact CG1-CG2 4.15Å; V140-S142 PolarHBondContact O-N 2.9Å; V140-I153 HydrophobicContact CG1-CD1 3.88Å; V140-W157 HydrophobicContact CG1-CH2 4.22Å; V140-W157 HydrophobicContact CG2-CH2 3.57Å; V140-W157 HydrophobicContact CG2-CZ3 3.77Å; V140-L174 PolarHBondContact N-O 2.82Å; V140-F175 HydrophobicContact CB-CD1 3.61Å; V140-F175 HydrophobicContact CB-CE1 3.81Å; V140-F175 HydrophobicContact CG1-CD1 3.94Å; V140-F175 HydrophobicContact CG1-CE1 3.96Å; V140-F175 HydrophobicContact CG2-CD1 4.29Å; V140-F175 HydrophobicContact CG2-CE1 4.06Å; V140-F175 WeakPolarHBondContact O-CA 3.23Å; V140-L176 PolarHBondContact O-N 3.35Å; V140-G239 WeakPolarHBondContact CA-O 3.24Å; V140-D241 HydrophobicContact CG1-CB 3.84Å
141	K	98.5	Very high	97.1	Very high	12 Å²	12	35.3 Å²	35.3	5%	0.052	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	120.4	169	-69.8	-179.3	-81.2	163.3	0	108.5	K218 G239 D240 D241 D326	K141-K218 HydrophobicContact CB-CD 4.15Å; K141-K218 HydrophobicContact CG-CD 3.88Å; K141-G239 PolarHBondContact N-O 3.21Å; K141-D240 WeakPolarHBondContact CE-OD1 3.34Å; K141-D240 IonicContact NZ-OD1 3.19Å; K141-D240 PolarHBondContact NZ-OD1 2.97Å; K141-D241 WeakPolarHBondContact O-CB 3.44Å; K141-D241 PolarHBondContact O-N 3.43Å; K141-D326 IonicContact NZ-OD2 2.8Å; K141-D326 PolarHBondContact NZ-OD2 3.2Å
142	S	98	Very high	97.5	Very high	3 Å²	3	33.4 Å²	33.4	2%	0.021	19%	0.188	C	C	.	.			trans	-136.2	178.8	174.3	-165.1	0	0	0	0	110.2	V140 R150 L176 K218 D241	V140-S142 PolarHBondContact O-N 2.9Å; S142-R150 PolarHBondContact OG-NH1 2.98Å; S142-L176 PolarHBondContact N-O 2.81Å; S142-L176 VanDerWaalsContact N-O 3.13Å; S142-K218 WeakPolarHBondContact O-CE 3.45Å; S142-D241 WeakPolarHBondContact CA-OD2 3.37Å; S142-D241 WeakPolarHBondContact CB-OD2 3.38Å; S142-D241 PolarHBondContact OG-OD2 3.2Å
143	V	97	Very high	97.8	Very high	48 Å²	48	29.8 Å²	29.8	29%	0.291	15%	0.151	S	C	.	.			trans	-130	154.8	171.9	-57.6	0	0	0	0	109.1	T145 Q146 R150 D210	V143-T145 PolarHBondContact O-N 3.36Å; V143-Q146 HydrophobicContact CG2-CB 4.26Å; V143-Q146 HydrophobicContact CG2-CG 3.41Å; V143-Q146 VanDerWaalsContact CG2-CG 3.41Å; V143-Q146 PolarHBondContact O-N 2.88Å; V143-R150 PolarHBondContact O-NH1 2.77Å; V143-D210 HydrophobicContact CG1-CB 4.46Å
144	I	95.9	Very high	97.9	Very high	10 Å²	10	25.6 Å²	25.6	5%	0.051	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-33.2	-171.2	-162.7	167	0	0	0	114.4	R150 L177 A180 Y189 L193	I144-R150 PolarHBondContact O-NH2 3.03Å; I144-L177 HydrophobicContact CB-CD2 4.33Å; I144-A180 HydrophobicContact CG2-CB 3.84Å; I144-Y189 HydrophobicContact CG2-CG 4.47Å; I144-L193 HydrophobicContact CD1-CB 4.18Å; I144-L193 HydrophobicContact CD1-CD2 4.01Å; I144-L193 HydrophobicContact CG1-CB 4.05Å; I144-L193 HydrophobicContact CG1-CD1 4.19Å; I144-L193 HydrophobicContact CG1-CD2 4Å; I144-L193 HydrophobicContact CG1-CG 4.31Å
145	T	94.9	Very high	98	Very high	56 Å²	56	30.3 Å²	30.3	34%	0.344	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-19.6	-178.1	57.1	0	0	0	0	114.9	V143 H147 Y189	V143-T145 PolarHBondContact O-N 3.36Å; T145-H147 VanDerWaalsContact C-N 3.27Å; T145-H147 PolarHBondContact O-N 2.88Å; T145-H147 VanDerWaalsContact O-N 3.1Å; T145-H147 PolarHBondContact O-ND1 3.04Å; T145-Y189 HydrophobicContact CG2-CD1 4.23Å; T145-Y189 HydrophobicContact CG2-CD2 4.07Å; T145-Y189 HydrophobicContact CG2-CE1 3.88Å; T145-Y189 HydrophobicContact CG2-CE2 3.65Å; T145-Y189 HydrophobicContact CG2-CG 4.35Å
146	Q	96.8	Very high	98	Very high	49 Å²	49	29.3 Å²	29.3	23%	0.229	14%	0.144	C	C	.	.			trans	-88.5	47.7	-173	-59.7	-68.9	-12.8	0	0	113.2	V143 D148 R149 R150	V143-Q146 HydrophobicContact CG2-CB 4.26Å; V143-Q146 HydrophobicContact CG2-CG 3.41Å; V143-Q146 VanDerWaalsContact CG2-CG 3.41Å; V143-Q146 PolarHBondContact O-N 2.88Å; Q146-D148 VanDerWaalsContact C-N 3.29Å; Q146-D148 PolarHBondContact O-N 3.18Å; Q146-R149 HydrophobicContact CB-CB 4.15Å; Q146-R149 HydrophobicContact CB-CG 4.07Å; Q146-R149 PolarHBondContact O-N 2.76Å; Q146-R150 PolarHBondContact O-N 3.43Å; Q146-R150 PolarHBondContact O-NH1 2.78Å
147	H	96.5	Very high	98	Very high	121 Å²	121	29.6 Å²	29.6	56%	0.56	15%	0.145	S	C	*	.	H	α-helix	trans	-60.6	-36.9	178.3	63.5	-74.3	0	0	0	112.7	T145 R150 E151	T145-H147 VanDerWaalsContact C-N 3.27Å; T145-H147 PolarHBondContact O-N 2.88Å; T145-H147 VanDerWaalsContact O-N 3.1Å; T145-H147 PolarHBondContact O-ND1 3.04Å; H147-R150 PolarHBondContact O-N 2.86Å; H147-E151 WeakPolarHBondContact O-CB 3.37Å; H147-E151 PolarHBondContact O-N 2.78Å
148	D	98	Very high	98	Very high	70 Å²	70	29.7 Å²	29.7	37%	0.374	15%	0.147	S	C	.	.	H	α-helix	trans	-64.8	-37.2	177.3	63.1	-28.3	0	0	0	112.8	Q146 A152 P378	Q146-D148 VanDerWaalsContact C-N 3.29Å; Q146-D148 PolarHBondContact O-N 3.18Å; D148-A152 WeakPolarHBondContact O-CB 3.42Å; D148-A152 PolarHBondContact O-N 2.79Å; D148-P378 HydrophobicContact CB-CG 4.37Å
149	R	98.6	Very high	97.9	Very high	44 Å²	44	37.8 Å²	37.8	17%	0.166	18%	0.177	C	C	.	.	H	α-helix	trans	-65.3	-49	172.9	-61.3	-171.7	-176.9	-163	-8.3	111.7	Q146 E151 A152 I153 D241 P378	Q146-R149 HydrophobicContact CB-CB 4.15Å; Q146-R149 HydrophobicContact CB-CG 4.07Å; Q146-R149 PolarHBondContact O-N 2.76Å; R149-E151 VanDerWaalsContact C-N 3.3Å; R149-E151 PolarHBondContact O-N 3.27Å; R149-A152 PolarHBondContact O-N 2.8Å; R149-I153 WeakPolarHBondContact O-CG1 3.28Å; R149-I153 PolarHBondContact O-N 3.09Å; R149-D241 HydrophobicContact CB-CB 4.12Å; R149-D241 WeakPolarHBondContact CD-OD1 3.46Å; R149-D241 IonicContact CZ-OD1 2.78Å; R149-D241 IonicContact NE-OD1 2.81Å; R149-D241 IonicContact NH1-OD1 3.26Å; R149-D241 PolarHBondContact NH1-OD1 2.96Å; R149-P378 HydrophobicContact CB-CG 4.32Å; R149-P378 HydrophobicContact CG-CG 3.7Å
150	R	98.8	Very high	97.9	Very high	1 Å²	1	40.8 Å²	40.8	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-58.7	-45.3	177.7	-65.1	-167.6	-70.2	-81.6	5.7	111.1	S142 V143 I144 Q146 H147 I153 R154 F175 E196	S142-R150 PolarHBondContact OG-NH1 2.98Å; V143-R150 PolarHBondContact O-NH1 2.77Å; I144-R150 PolarHBondContact O-NH2 3.03Å; Q146-R150 PolarHBondContact O-N 3.43Å; Q146-R150 PolarHBondContact O-NH1 2.78Å; H147-R150 PolarHBondContact O-N 2.86Å; R150-I153 WeakPolarHBondContact O-CB 3.44Å; R150-I153 PolarHBondContact O-N 3.24Å; R150-R154 WeakPolarHBondContact O-CG 3.4Å; R150-R154 PolarHBondContact O-N 3.19Å; R150-F175 HydrophobicContact CB-CD1 4.18Å; R150-F175 HydrophobicContact CB-CD2 4.47Å; R150-F175 HydrophobicContact CB-CE1 3.86Å; R150-F175 HydrophobicContact CB-CE2 4.16Å; R150-F175 HydrophobicContact CB-CG 4.48Å; R150-F175 HydrophobicContact CB-CZ 3.84Å; R150-F175 HydrophobicContact CG-CD1 3.52Å; R150-F175 HydrophobicContact CG-CD2 4.34Å; R150-F175 HydrophobicContact CG-CE1 3.65Å; R150-F175 HydrophobicContact CG-CE2 4.44Å; R150-F175 HydrophobicContact CG-CG 3.9Å; R150-F175 HydrophobicContact CG-CZ 4.12Å; R150-E196 IonicContact CZ-OE1 2.82Å; R150-E196 IonicContact CZ-OE2 2.85Å; R150-E196 IonicContact NE-OE1 3.69Å; R150-E196 PolarHBondContact NE-OE1 2.82Å; R150-E196 IonicContact NE-OE2 2.72Å; R150-E196 PolarHBondContact NE-OE2 2.91Å; R150-E196 IonicContact NH2-OE1 3.42Å; R150-E196 IonicContact NH2-OE2 3.59Å; R150-E196 PolarHBondContact NH2-OE2 2.95Å
151	E	98.6	Very high	97.8	Very high	54 Å²	54	44.9 Å²	44.9	25%	0.252	21%	0.206	S	C	.	.	H	α-helix	trans	-61.8	-45.8	177.5	-175.9	55.7	-152.1	0	0	112.5	H147 R149 I153 R154 Q155 Y200	H147-E151 WeakPolarHBondContact O-CB 3.37Å; H147-E151 PolarHBondContact O-N 2.78Å; R149-E151 VanDerWaalsContact C-N 3.3Å; R149-E151 PolarHBondContact O-N 3.27Å; E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 3.48Å; E151-R154 PolarHBondContact O-N 3.06Å; E151-R154 IonicContact OE2-NH1 2.74Å; E151-Q155 WeakPolarHBondContact O-CG 3.33Å; E151-Q155 PolarHBondContact O-N 2.96Å; E151-Q155 PolarHBondContact OE1-NE2 3.41Å; E151-Y200 VanDerWaalsContact OE2-CZ 3.31Å; E151-Y200 PolarHBondContact OE2-OH 2.86Å
152	A	98.8	Very high	97.7	Very high	3 Å²	3	51.1 Å²	51.1	3%	0.025	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-35.7	175.6	0	0	0	0	0	112.3	D148 R149 Q155 T156 P378 L381 L382	D148-A152 WeakPolarHBondContact O-CB 3.42Å; D148-A152 PolarHBondContact O-N 2.79Å; R149-A152 PolarHBondContact O-N 2.8Å; A152-Q155 PolarHBondContact O-N 2.78Å; A152-T156 WeakPolarHBondContact O-CB 3.25Å; A152-T156 VanDerWaalsContact O-CG2 3.31Å; A152-T156 WeakPolarHBondContact O-CG2 2.96Å; A152-T156 PolarHBondContact O-N 2.89Å; A152-T156 PolarHBondContact O-OG1 3.43Å; A152-P378 HydrophobicContact CB-CB 3.84Å; A152-L381 HydrophobicContact CB-CD2 4.12Å; A152-L382 HydrophobicContact CB-CD1 4.35Å; A152-L382 HydrophobicContact CB-CD2 4.37Å; A152-L382 HydrophobicContact CB-CG 4.16Å
153	I	98.9	Very high	97.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-45.7	175.4	-69.4	169.9	0	0	0	111	V140 R149 R150 E151 Q155 T156 W157 G158 F175 D241 L381	V140-I153 HydrophobicContact CG1-CD1 3.88Å; R149-I153 WeakPolarHBondContact O-CG1 3.28Å; R149-I153 PolarHBondContact O-N 3.09Å; R150-I153 WeakPolarHBondContact O-CB 3.44Å; R150-I153 PolarHBondContact O-N 3.24Å; E151-I153 VanDerWaalsContact C-N 3.26Å; E151-I153 PolarHBondContact O-N 3.48Å; I153-Q155 VanDerWaalsContact C-N 3.27Å; I153-Q155 PolarHBondContact O-N 3.28Å; I153-T156 CarbonylContact O-C 3.48Å; I153-T156 PolarHBondContact O-N 2.65Å; I153-W157 HydrophobicContact CB-CZ2 4.25Å; I153-W157 HydrophobicContact CD1-CH2 3.89Å; I153-W157 HydrophobicContact CD1-CZ2 3.45Å; I153-W157 VanDerWaalsContact CD1-CZ2 3.45Å; I153-W157 HydrophobicContact CG1-CH2 4.17Å; I153-W157 HydrophobicContact CG1-CZ2 3.46Å; I153-W157 VanDerWaalsContact CG1-CZ2 3.46Å; I153-W157 HydrophobicContact CG2-CD2 4.06Å; I153-W157 HydrophobicContact CG2-CE3 4.04Å; I153-W157 HydrophobicContact CG2-CH2 3.79Å; I153-W157 HydrophobicContact CG2-CZ2 3.82Å; I153-W157 HydrophobicContact CG2-CZ3 3.9Å; I153-W157 PolarHBondContact O-N 2.66Å; I153-G158 WeakPolarHBondContact O-CA 3.42Å; I153-G158 PolarHBondContact O-N 3.03Å; I153-F175 HydrophobicContact CB-CE1 4.27Å; I153-F175 HydrophobicContact CB-CZ 4.16Å; I153-F175 HydrophobicContact CD1-CE1 4.15Å; I153-F175 HydrophobicContact CG2-CE1 4.04Å; I153-F175 HydrophobicContact CG2-CZ 3.9Å; I153-D241 HydrophobicContact CD1-CB 3.94Å; I153-L381 HydrophobicContact CG1-CD2 4.2Å
154	R	98.7	Very high	97.4	Very high	27 Å²	27	51.8 Å²	51.8	10%	0.102	24%	0.243	C	C	.	.	H	α-helix	trans	-57.4	-39.9	175.5	-70	179.9	-170.8	110.9	2.8	112.2	R150 E151 T156 R159 F175 E196 Y200 D202	R150-R154 WeakPolarHBondContact O-CG 3.4Å; R150-R154 PolarHBondContact O-N 3.19Å; E151-R154 PolarHBondContact O-N 3.06Å; E151-R154 IonicContact OE2-NH1 2.74Å; R154-T156 VanDerWaalsContact C-N 3.27Å; R154-T156 PolarHBondContact O-N 3.29Å; R154-R159 WeakPolarHBondContact O-CB 3.26Å; R154-F175 HydrophobicContact CG-CE2 4.12Å; R154-F175 HydrophobicContact CG-CZ 4.27Å; R154-E196 IonicContact CZ-OE1 2.71Å; R154-E196 VanDerWaalsContact CZ-OE1 3.24Å; R154-E196 IonicContact NH1-OE1 3.92Å; R154-E196 PolarHBondContact NH1-OE1 2.83Å; R154-E196 IonicContact NH2-OE1 3.39Å; R154-E196 PolarHBondContact NH2-OE1 2.96Å; R154-Y200 VanDerWaalsContact CZ-CD2 3.47Å; R154-D202 IonicContact CZ-OD1 2.95Å; R154-D202 IonicContact CZ-OD2 3.45Å; R154-D202 IonicContact NE-OD1 3.95Å; R154-D202 IonicContact NE-OD2 2.89Å; R154-D202 PolarHBondContact NE-OD2 2.72Å; R154-D202 IonicContact NH2-OD1 2.68Å; R154-D202 PolarHBondContact NH2-OD1 2.71Å; R154-D202 IonicContact NH2-OD2 3.36Å; R154-D202 PolarHBondContact NH2-OD2 2.9Å
155	Q	98.5	Very high	97.3	Very high	105 Å²	105	52.9 Å²	52.9	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-74.6	-14.9	178.4	-67.5	-178.8	20.5	0	0	113.7	E151 A152 I153 L382	E151-Q155 WeakPolarHBondContact O-CG 3.33Å; E151-Q155 PolarHBondContact O-N 2.96Å; E151-Q155 PolarHBondContact OE1-NE2 3.41Å; A152-Q155 PolarHBondContact O-N 2.78Å; I153-Q155 VanDerWaalsContact C-N 3.27Å; I153-Q155 PolarHBondContact O-N 3.28Å; Q155-L382 HydrophobicContact CB-CD2 4.19Å
156	T	98.6	Very high	97	Very high	4 Å²	4	59.1 Å²	59.1	3%	0.025	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-111	-172.9	61.4	0	0	0	0	112	A152 I153 R154 R159 L382 W385	A152-T156 WeakPolarHBondContact O-CB 3.25Å; A152-T156 VanDerWaalsContact O-CG2 3.31Å; A152-T156 WeakPolarHBondContact O-CG2 2.96Å; A152-T156 PolarHBondContact O-N 2.89Å; A152-T156 PolarHBondContact O-OG1 3.43Å; I153-T156 CarbonylContact O-C 3.48Å; I153-T156 PolarHBondContact O-N 2.65Å; R154-T156 VanDerWaalsContact C-N 3.27Å; R154-T156 PolarHBondContact O-N 3.29Å; T156-R159 WeakPolarHBondContact O-CB 3.34Å; T156-R159 PolarHBondContact O-N 3.48Å; T156-L382 HydrophobicContact CG2-CD2 3.76Å; T156-W385 HydrophobicContact CG2-CB 3.68Å; T156-W385 HydrophobicContact CG2-CD2 3.92Å; T156-W385 HydrophobicContact CG2-CG 3.47Å; T156-W385 VanDerWaalsContact CG2-CG 3.47Å
157	W	98.3	Very high	96.6	Very high	8 Å²	8	60.6 Å²	60.6	3%	0.03	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-20.5	-169	57.2	-98.9	0	0	0	114.2	V138 V140 I153 R159 F237 V243 V245 P247 W385	V138-W157 HydrophobicContact CG1-CE3 4.18Å; V138-W157 HydrophobicContact CG1-CZ3 3.69Å; V140-W157 HydrophobicContact CG1-CH2 4.22Å; V140-W157 HydrophobicContact CG2-CH2 3.57Å; V140-W157 HydrophobicContact CG2-CZ3 3.77Å; I153-W157 HydrophobicContact CB-CZ2 4.25Å; I153-W157 HydrophobicContact CD1-CH2 3.89Å; I153-W157 HydrophobicContact CD1-CZ2 3.45Å; I153-W157 VanDerWaalsContact CD1-CZ2 3.45Å; I153-W157 HydrophobicContact CG1-CH2 4.17Å; I153-W157 HydrophobicContact CG1-CZ2 3.46Å; I153-W157 VanDerWaalsContact CG1-CZ2 3.46Å; I153-W157 HydrophobicContact CG2-CD2 4.06Å; I153-W157 HydrophobicContact CG2-CE3 4.04Å; I153-W157 HydrophobicContact CG2-CH2 3.79Å; I153-W157 HydrophobicContact CG2-CZ2 3.82Å; I153-W157 HydrophobicContact CG2-CZ3 3.9Å; I153-W157 PolarHBondContact O-N 2.66Å; W157-R159 VanDerWaalsContact C-N 3.28Å; W157-F237 HydrophobicContact CZ3-CE1 4.13Å; W157-V243 HydrophobicContact CH2-CG2 4.42Å; W157-V243 HydrophobicContact CZ2-CG2 4.02Å; W157-V243 PolarHBondContact NE1-O 3.39Å; W157-V245 HydrophobicContact CB-CB 3.99Å; W157-V245 WeakPolarHBondContact CB-O 3.27Å; W157-V245 HydrophobicContact CD2-CB 3.72Å; W157-V245 HydrophobicContact CD2-CG2 3.7Å; W157-V245 HydrophobicContact CE3-CB 3.81Å; W157-V245 HydrophobicContact CE3-CG2 3.68Å; W157-V245 HydrophobicContact CG-CB 3.83Å; W157-V245 HydrophobicContact CG-CG2 4.27Å; W157-V245 HydrophobicContact CH2-CG2 4.11Å; W157-V245 HydrophobicContact CZ2-CG2 4.12Å; W157-V245 HydrophobicContact CZ3-CG2 3.9Å; W157-P247 HydrophobicContact CB-CG 3.9Å; W157-P247 VanDerWaalsContact O-CG 3.31Å; W157-P247 WeakPolarHBondContact O-CG 3.31Å; W157-W385 HydrophobicContact CB-CE3 4.36Å; W157-W385 HydrophobicContact CB-CH2 3.98Å; W157-W385 HydrophobicContact CB-CZ3 3.61Å
158	G	98.2	Very high	96.5	Very high	3 Å²	3	56.6 Å²	56.6	3%	0.031	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	10.1	174.8	0	0	0	0	0	113.5	I153 E160 T173	I153-G158 WeakPolarHBondContact O-CA 3.42Å; I153-G158 PolarHBondContact O-N 3.03Å; G158-E160 PolarHBondContact O-N 3.43Å; G158-T173 WeakPolarHBondContact O-CB 3Å; G158-T173 PolarHBondContact O-OG1 3.34Å
159	R	97.9	Very high	96.4	Very high	176 Å²	176	53.6 Å²	53.6	66%	0.664	27%	0.267	S	S	*	.			trans	-64.7	122	176.7	-173.2	176	179.1	175.4	1.5	110.8	R154 T156 W157	R154-R159 WeakPolarHBondContact O-CB 3.26Å; T156-R159 WeakPolarHBondContact O-CB 3.34Å; T156-R159 PolarHBondContact O-N 3.48Å; W157-R159 VanDerWaalsContact C-N 3.28Å
160	E	97.5	Very high	96.4	Very high	62 Å²	62	51.6 Å²	51.6	29%	0.29	26%	0.26	S	S	.	.			trans	-63.4	152.3	177.7	-58.6	-162.5	150.5	0	0	112.4	K129 G158 V171 T173	K129-E160 IonicContact NZ-OE1 3.7Å; K129-E160 PolarHBondContact NZ-OE1 2.93Å; K129-E160 IonicContact NZ-OE2 3.56Å; K129-E160 PolarHBondContact NZ-OE2 2.8Å; G158-E160 PolarHBondContact O-N 3.43Å; E160-V171 WeakPolarHBondContact CA-O 3.09Å; E160-V171 WeakPolarHBondContact CB-O 3.08Å; E160-T173 PolarHBondContact OE1-N 3.34Å
161	R	96.8	Very high	96.4	Very high	87 Å²	87	51.9 Å²	51.9	33%	0.328	26%	0.262	S	S	.	.	B	Isolated β-bridge	trans	-141.4	137.7	-179.2	-53.9	-178	-175.7	-166.5	-1.1	109.8	S163 A170 V171 R172	R161-S163 PolarHBondContact O-N 3.18Å; R161-A170 CarbonylContact O-C 3.52Å; R161-A170 VanDerWaalsContact O-CA 3.23Å; R161-A170 WeakPolarHBondContact O-CA 3.42Å; R161-A170 WeakPolarHBondContact O-CB 3.36Å; R161-V171 HydrophobicContact CB-CB 4.21Å; R161-V171 HydrophobicContact CB-CG2 4.4Å; R161-V171 PolarHBondContact N-O 3.01Å; R161-V171 PolarHBondContact O-N 2.8Å; R161-R172 PolarHBondContact O-NH1 3.13Å
162	E	95.8	Very high	96.4	Very high	142 Å²	142	51 Å²	51	66%	0.664	26%	0.257	S	S	*	.	S	Bend	trans	-72.4	-14.5	174	-63.2	-47.8	118.6	0	0	113.5	R172	E162-R172 IonicContact OE1-CZ 3.06Å; E162-R172 IonicContact OE1-NH1 3.29Å; E162-R172 PolarHBondContact OE1-NH1 3.11Å; E162-R172 IonicContact OE1-NH2 3.93Å; E162-R172 PolarHBondContact OE1-NH2 3.33Å; E162-R172 IonicContact OE2-CZ 3.66Å; E162-R172 IonicContact OE2-NH1 2.76Å; E162-R172 PolarHBondContact OE2-NH1 3.02Å; E162-R172 IonicContact OE2-NH2 3.24Å; E162-R172 PolarHBondContact OE2-NH2 3.33Å
163	S	95.4	Very high	96.4	Very high	59 Å²	59	51 Å²	51	41%	0.413	26%	0.256	S	S	.	.			trans	-146.2	137.8	173.6	-179.8	0	0	0	0	111.8	R161 G165 R168 G169	R161-S163 PolarHBondContact O-N 3.18Å; S163-G165 PolarHBondContact O-N 3.46Å; S163-G165 PolarHBondContact OG-N 3.03Å; S163-R168 PolarHBondContact OG-O 3.04Å; S163-G169 CarbonylContact C-O 3.57Å
164	A	94.1	Very high	96.4	Very high	7 Å²	7	51 Å²	51	6%	0.058	26%	0.256	C	S	.	.			trans	-79.3	8.6	168.2	0	0	0	0	0	113	Y135 R168 G169 V171 L251	Y135-A164 HydrophobicContact CD1-CB 3.64Å; Y135-A164 HydrophobicContact CE1-CB 4.39Å; Y135-A164 HydrophobicContact CG-CB 4.12Å; A164-R168 HydrophobicContact CB-CB 3.91Å; A164-R168 PolarHBondContact N-O 3.19Å; A164-R168 PolarHBondContact O-NH2 2.84Å; A164-G169 VanDerWaalsContact CB-O 3.3Å; A164-G169 WeakPolarHBondContact CB-O 3.34Å; A164-G169 PolarHBondContact N-O 3.44Å; A164-V171 HydrophobicContact CB-CG2 3.98Å; A164-L251 HydrophobicContact CB-CD1 4.03Å; A164-L251 HydrophobicContact CB-CD2 3.7Å; A164-L251 HydrophobicContact CB-CG 4.47Å
165	G	92.9	Very high	96.4	Very high	32 Å²	32	49.7 Å²	49.7	33%	0.33	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	74.4	166.5	-177.5	0	0	0	0	0	113.1	S163 G167 R168	S163-G165 PolarHBondContact O-N 3.46Å; S163-G165 PolarHBondContact OG-N 3.03Å; G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 3.42Å; G165-R168 WeakPolarHBondContact O-CB 3.49Å; G165-R168 WeakPolarHBondContact O-CG 3.35Å; G165-R168 PolarHBondContact O-N 2.84Å; G165-R168 VanDerWaalsContact O-N 3.16Å; G165-R168 PolarHBondContact O-NE 3.04Å
166	R	89.3	Confident	96.4	Very high	188 Å²	188	44.7 Å²	44.7	71%	0.709	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	37.5	-178.2	-53.4	-176.9	-177.5	-176.8	2.9	113.5	R168	R166-R168 PolarHBondContact O-N 3.35Å
167	G	88.7	Confident	96.4	Very high	80 Å²	80	44.5 Å²	44.5	83%	0.825	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	73.3	10.9	180	0	0	0	0	0	115	G165	G165-G167 VanDerWaalsContact C-N 3.27Å; G165-G167 PolarHBondContact O-N 3.42Å
168	R	94.7	Very high	96.3	Very high	37 Å²	37	44.1 Å²	44.1	14%	0.14	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-88	147.7	177.2	-59.9	175.5	-67.2	178.6	1.9	111	Y135 S163 A164 G165 R166 L251 A255	Y135-R168 HydrophobicContact CD1-CB 4.41Å; Y135-R168 HydrophobicContact CD2-CB 3.89Å; Y135-R168 HydrophobicContact CD2-CG 4.2Å; Y135-R168 HydrophobicContact CE2-CB 4.23Å; Y135-R168 HydrophobicContact CE2-CG 4.05Å; Y135-R168 HydrophobicContact CG-CB 3.98Å; Y135-R168 PolarHBondContact OH-NH1 3.29Å; S163-R168 PolarHBondContact OG-O 3.04Å; A164-R168 HydrophobicContact CB-CB 3.91Å; A164-R168 PolarHBondContact N-O 3.19Å; A164-R168 PolarHBondContact O-NH2 2.84Å; G165-R168 WeakPolarHBondContact O-CB 3.49Å; G165-R168 WeakPolarHBondContact O-CG 3.35Å; G165-R168 PolarHBondContact O-N 2.84Å; G165-R168 VanDerWaalsContact O-N 3.16Å; G165-R168 PolarHBondContact O-NE 3.04Å; R166-R168 PolarHBondContact O-N 3.35Å; R168-L251 PolarHBondContact NH1-O 2.76Å; R168-L251 PolarHBondContact NH2-O 2.82Å; R168-A255 VanDerWaalsContact NH1-CA 3.3Å
169	G	95.9	Very high	96.2	Very high	6 Å²	6	44.1 Å²	44.1	6%	0.062	23%	0.225	C	C	.	.			trans	-61.6	-170.7	-179.4	0	0	0	0	0	115.6	D133 Y135 S163 A164	D133-G169 CarbonylContact O-C 3.58Å; D133-G169 VanDerWaalsContact O-CA 3.28Å; D133-G169 WeakPolarHBondContact O-CA 3.33Å; D133-G169 VanDerWaalsContact OD2-CA 3.25Å; D133-G169 WeakPolarHBondContact OD2-CA 3.23Å; D133-G169 PolarHBondContact OD2-N 3.43Å; Y135-G169 WeakPolarHBondContact CB-O 3.35Å; S163-G169 CarbonylContact C-O 3.57Å; A164-G169 VanDerWaalsContact CB-O 3.3Å; A164-G169 WeakPolarHBondContact CB-O 3.34Å; A164-G169 PolarHBondContact N-O 3.44Å
170	A	97.9	Very high	95.9	Very high	3 Å²	3	36 Å²	36	3%	0.025	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	157.5	-170.3	0	0	0	0	0	114.7	D133 Y135 L136 R161	D133-A170 PolarHBondContact O-N 3.26Å; Y135-A170 PolarHBondContact N-O 2.69Å; L136-A170 PolarHBondContact N-O 3.38Å; R161-A170 CarbonylContact O-C 3.52Å; R161-A170 VanDerWaalsContact O-CA 3.23Å; R161-A170 WeakPolarHBondContact O-CA 3.42Å; R161-A170 WeakPolarHBondContact O-CB 3.36Å
171	V	98.4	Very high	95.2	Very high	7 Å²	7	36.4 Å²	36.4	4%	0.042	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.9	165.6	-174.6	0	0	0	0	107.8	L136 V138 E160 R161 A164 L251	L136-V171 HydrophobicContact CB-CG1 4.3Å; L136-V171 HydrophobicContact CB-CG2 4.28Å; L136-V171 HydrophobicContact CD2-CG1 4.25Å; L136-V171 HydrophobicContact CG-CG1 4.38Å; L136-V171 WeakPolarHBondContact O-CA 3.39Å; V138-V171 HydrophobicContact CG2-CG1 3.8Å; E160-V171 WeakPolarHBondContact CA-O 3.09Å; E160-V171 WeakPolarHBondContact CB-O 3.08Å; R161-V171 HydrophobicContact CB-CB 4.21Å; R161-V171 HydrophobicContact CB-CG2 4.4Å; R161-V171 PolarHBondContact N-O 3.01Å; R161-V171 PolarHBondContact O-N 2.8Å; A164-V171 HydrophobicContact CB-CG2 3.98Å; V171-L251 HydrophobicContact CG2-CD1 4.34Å; V171-L251 HydrophobicContact CG2-CD2 4.36Å
172	R	98.4	Very high	94.5	Very high	36 Å²	36	38.3 Å²	38.3	14%	0.136	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	150.5	-178.6	-61	-68.1	-177	-118.8	-0.4	109.9	K129 V134 L136 L137 V138 R161 E162	K129-R172 WeakPolarHBondContact O-CG 3.37Å; V134-R172 HydrophobicContact CG1-CB 4.36Å; V134-R172 HydrophobicContact CG1-CG 3.99Å; V134-R172 HydrophobicContact CG2-CG 3.91Å; L136-R172 PolarHBondContact O-N 3.34Å; L137-R172 HydrophobicContact CD1-CB 3.9Å; V138-R172 PolarHBondContact N-O 3.15Å; R161-R172 PolarHBondContact O-NH1 3.13Å; E162-R172 IonicContact OE1-CZ 3.06Å; E162-R172 IonicContact OE1-NH1 3.29Å; E162-R172 PolarHBondContact OE1-NH1 3.11Å; E162-R172 IonicContact OE1-NH2 3.93Å; E162-R172 PolarHBondContact OE1-NH2 3.33Å; E162-R172 IonicContact OE2-CZ 3.66Å; E162-R172 IonicContact OE2-NH1 2.76Å; E162-R172 PolarHBondContact OE2-NH1 3.02Å; E162-R172 IonicContact OE2-NH2 3.24Å; E162-R172 PolarHBondContact OE2-NH2 3.33Å
173	T	98.8	Very high	93.7	Very high	2 Å²	2	38 Å²	38	1%	0.012	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.5	-178	-60.4	0	0	0	0	110.4	V138 G158 E160 F175 D202	V138-T173 HydrophobicContact CB-CG2 4.43Å; V138-T173 HydrophobicContact CG1-CG2 4.2Å; V138-T173 CarbonylContact O-C 3.52Å; V138-T173 VanDerWaalsContact O-CA 3.28Å; V138-T173 WeakPolarHBondContact O-CA 3.32Å; G158-T173 WeakPolarHBondContact O-CB 3Å; G158-T173 PolarHBondContact O-OG1 3.34Å; E160-T173 PolarHBondContact OE1-N 3.34Å; T173-F175 HydrophobicContact CG2-CE2 4.17Å; T173-F175 HydrophobicContact CG2-CZ 4.19Å; T173-D202 WeakPolarHBondContact O-CB 3.43Å
174	L	98.8	Very high	93	Very high	0 Å²	0	44 Å²	44	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	138.9	175.1	-71.5	172.4	0	0	0	110.4	H126 K129 L137 V138 V139 V140 D202 L204 W225	H126-L174 HydrophobicContact CB-CD2 4.42Å; K129-L174 HydrophobicContact CB-CD2 4.13Å; K129-L174 HydrophobicContact CG-CD2 3.88Å; L137-L174 HydrophobicContact CD1-CD1 3.8Å; L137-L174 HydrophobicContact CD1-CG 4.17Å; L137-L174 HydrophobicContact CD2-CD1 4.03Å; L137-L174 HydrophobicContact CG-CD1 4.26Å; V138-L174 PolarHBondContact O-N 3.12Å; V139-L174 WeakPolarHBondContact CA-O 3.02Å; V140-L174 PolarHBondContact N-O 2.82Å; L174-D202 CarbonylContact C-O 3.54Å; L174-D202 WeakPolarHBondContact CA-O 3.46Å; L174-L204 HydrophobicContact CD1-CD1 3.98Å; L174-L204 HydrophobicContact CD1-CG 4.37Å; L174-L204 HydrophobicContact CD2-CD2 4.37Å; L174-L204 HydrophobicContact CD2-CG 4.21Å; L174-W225 HydrophobicContact CD1-CH2 3.55Å; L174-W225 HydrophobicContact CD1-CZ2 4.47Å; L174-W225 HydrophobicContact CD1-CZ3 3.59Å
175	F	98.9	Very high	92.5	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	131	172.4	-62.8	-79.8	0	0	0	110.3	V140 R150 I153 R154 T173 L177 D202 L204	V140-F175 HydrophobicContact CB-CD1 3.61Å; V140-F175 HydrophobicContact CB-CE1 3.81Å; V140-F175 HydrophobicContact CG1-CD1 3.94Å; V140-F175 HydrophobicContact CG1-CE1 3.96Å; V140-F175 HydrophobicContact CG2-CD1 4.29Å; V140-F175 HydrophobicContact CG2-CE1 4.06Å; V140-F175 WeakPolarHBondContact O-CA 3.23Å; R150-F175 HydrophobicContact CB-CD1 4.18Å; R150-F175 HydrophobicContact CB-CD2 4.47Å; R150-F175 HydrophobicContact CB-CE1 3.86Å; R150-F175 HydrophobicContact CB-CE2 4.16Å; R150-F175 HydrophobicContact CB-CG 4.48Å; R150-F175 HydrophobicContact CB-CZ 3.84Å; R150-F175 HydrophobicContact CG-CD1 3.52Å; R150-F175 HydrophobicContact CG-CD2 4.34Å; R150-F175 HydrophobicContact CG-CE1 3.65Å; R150-F175 HydrophobicContact CG-CE2 4.44Å; R150-F175 HydrophobicContact CG-CG 3.9Å; R150-F175 HydrophobicContact CG-CZ 4.12Å; I153-F175 HydrophobicContact CB-CE1 4.27Å; I153-F175 HydrophobicContact CB-CZ 4.16Å; I153-F175 HydrophobicContact CD1-CE1 4.15Å; I153-F175 HydrophobicContact CG2-CE1 4.04Å; I153-F175 HydrophobicContact CG2-CZ 3.9Å; R154-F175 HydrophobicContact CG-CE2 4.12Å; R154-F175 HydrophobicContact CG-CZ 4.27Å; T173-F175 HydrophobicContact CG2-CE2 4.17Å; T173-F175 HydrophobicContact CG2-CZ 4.19Å; F175-L177 HydrophobicContact CB-CD1 3.72Å; F175-D202 HydrophobicContact CD2-CB 4.41Å; F175-D202 WeakPolarHBondContact CE2-OD2 3.46Å; F175-D202 PolarHBondContact N-O 3.29Å; F175-L204 PolarHBondContact O-N 3.38Å
176	L	98.8	Very high	92.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.8	-179.1	-54.2	-175.8	0	0	0	110.6	V139 V140 S142 L204 W206 K218 F222	V139-L176 HydrophobicContact CG1-CD1 3.41Å; V139-L176 VanDerWaalsContact CG1-CD1 3.41Å; V139-L176 HydrophobicContact CG1-CD2 3.8Å; V139-L176 HydrophobicContact CG1-CG 3.53Å; V140-L176 PolarHBondContact O-N 3.35Å; S142-L176 PolarHBondContact N-O 2.81Å; S142-L176 VanDerWaalsContact N-O 3.13Å; L176-L204 HydrophobicContact CD2-CB 4.15Å; L176-L204 HydrophobicContact CD2-CD1 3.97Å; L176-L204 HydrophobicContact CD2-CG 4.47Å; L176-W206 HydrophobicContact CB-CZ3 4.34Å; L176-W206 HydrophobicContact CD2-CH2 3.92Å; L176-W206 HydrophobicContact CD2-CZ3 3.94Å; L176-K218 HydrophobicContact CB-CD 3.71Å; L176-K218 HydrophobicContact CB-CG 3.69Å; L176-K218 HydrophobicContact CD1-CG 4.1Å; L176-K218 WeakPolarHBondContact O-CD 3.22Å; L176-K218 WeakPolarHBondContact O-CE 3.4Å; L176-F222 HydrophobicContact CD1-CB 3.61Å; L176-F222 HydrophobicContact CD1-CD1 4.45Å; L176-F222 HydrophobicContact CD1-CD2 4.22Å; L176-F222 HydrophobicContact CD1-CG 3.81Å; L176-F222 HydrophobicContact CD2-CB 4.12Å; L176-F222 HydrophobicContact CD2-CD2 3.82Å; L176-F222 HydrophobicContact CD2-CG 4.2Å
177	L	98.5	Very high	92.2	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	148.7	-176.3	-76.9	72	0	0	0	112.6	I144 F175 L193 I203 L204 Q205 W206	I144-L177 HydrophobicContact CB-CD2 4.33Å; F175-L177 HydrophobicContact CB-CD1 3.72Å; L177-L193 HydrophobicContact CD2-CD1 3.43Å; L177-L193 VanDerWaalsContact CD2-CD1 3.43Å; L177-L193 HydrophobicContact CD2-CD2 3.79Å; L177-L193 HydrophobicContact CD2-CG 4.25Å; L177-I203 HydrophobicContact CD1-CG2 4.1Å; L177-I203 HydrophobicContact CD2-CG2 4.19Å; L177-L204 PolarHBondContact N-O 2.92Å; L177-Q205 HydrophobicContact CB-CG 4.24Å; L177-Q205 WeakPolarHBondContact O-CA 2.83Å; L177-W206 PolarHBondContact O-N 3.29Å; L177-W206 VanDerWaalsContact O-N 3.11Å
178	G	97.4	Very high	92.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	-168.8	156.3	0	0	0	0	0	111.9	Q205 W206 F208 D210	G178-Q205 PolarHBondContact O-NE2 3.16Å; G178-W206 WeakPolarHBondContact CA-O 3.33Å; G178-F208 CarbonylContact C-O 3.47Å; G178-F208 WeakPolarHBondContact CA-O 3.4Å; G178-D210 PolarHBondContact N-OD2 3.33Å
179	T	95.4	Very high	92.3	Very high	3 Å²	3	46.7 Å²	46.7	2%	0.018	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	159.2	173.4	58.9	0	0	0	0	112.2	L123 S181 D207 F208 D210	L123-T179 HydrophobicContact CD1-CG2 3.6Å; T179-S181 PolarHBondContact O-N 3.02Å; T179-D207 WeakPolarHBondContact CG2-OD1 3.34Å; T179-F208 PolarHBondContact N-O 2.98Å; T179-F208 PolarHBondContact OG1-O 3.33Å; T179-F208 VanDerWaalsContact OG1-O 3.12Å; T179-D210 WeakPolarHBondContact O-CB 3.34Å; T179-D210 PolarHBondContact O-N 2.94Å
180	A	92.3	Very high	92.3	Very high	6 Å²	6	48.7 Å²	48.7	5%	0.05	24%	0.236	C	C	.	.			trans	-58.1	131.2	178.9	0	0	0	0	0	111.7	I144 K182 R186 Y189	I144-A180 HydrophobicContact CG2-CB 3.84Å; A180-K182 VanDerWaalsContact C-N 3.26Å; A180-K182 PolarHBondContact O-N 2.93Å; A180-R186 HydrophobicContact CB-CB 4.19Å; A180-R186 HydrophobicContact CB-CG 4.2Å; A180-R186 PolarHBondContact O-NE 3.26Å; A180-R186 PolarHBondContact O-NH2 2.95Å; A180-Y189 HydrophobicContact CB-CD2 4.26Å
181	S	81.8	Confident	92.2	Very high	69 Å²	69	54.5 Å²	54.5	48%	0.483	26%	0.262	S	S	.	.	S	Bend	trans	-63.6	-30.1	175.3	-78.6	0	0	0	0	113.3	T179 D210 T211	T179-S181 PolarHBondContact O-N 3.02Å; S181-D210 PolarHBondContact OG-O 3.39Å; S181-T211 WeakPolarHBondContact OG-CG2 2.94Å
182	K	81.4	Confident	92.1	Very high	128 Å²	128	59.7 Å²	59.7	56%	0.557	29%	0.289	S	S	*	.			trans	-90.7	123.2	178.1	-68.7	176.7	175.3	-174.8	0	110.4	A180 E185 R186	A180-K182 VanDerWaalsContact C-N 3.26Å; A180-K182 PolarHBondContact O-N 2.93Å; K182-E185 WeakPolarHBondContact CD-OE2 3.46Å; K182-E185 IonicContact NZ-OE1 3.41Å; K182-E185 PolarHBondContact NZ-OE1 3.11Å; K182-E185 IonicContact NZ-OE2 3.35Å; K182-E185 PolarHBondContact NZ-OE2 2.97Å; K182-R186 PolarHBondContact O-N 3.39Å
183	Q	79.9	Confident	92	Very high	136 Å²	136	58 Å²	58	64%	0.636	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-43.3	-176.4	-169.1	64.5	17.3	0	0	112.5	E185 R186	Q183-E185 VanDerWaalsContact C-N 3.28Å; Q183-E185 PolarHBondContact O-N 3.13Å; Q183-R186 WeakPolarHBondContact O-CB 3.31Å; Q183-R186 PolarHBondContact O-N 3.47Å
184	E	80.8	Confident	92	Very high	183 Å²	183	59.4 Å²	59.4	86%	0.855	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-32.2	-173.9	-64	171.7	-168.6	0	0	113.2
185	E	82.6	Confident	92	Very high	63 Å²	63	65.7 Å²	65.7	29%	0.294	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-4.2	-176.5	-61	170.1	174.1	0	0	112.3	K182 Q183 T187 H188 Y189	K182-E185 WeakPolarHBondContact CD-OE2 3.46Å; K182-E185 IonicContact NZ-OE1 3.41Å; K182-E185 PolarHBondContact NZ-OE1 3.11Å; K182-E185 IonicContact NZ-OE2 3.35Å; K182-E185 PolarHBondContact NZ-OE2 2.97Å; Q183-E185 VanDerWaalsContact C-N 3.28Å; Q183-E185 PolarHBondContact O-N 3.13Å; E185-T187 PolarHBondContact O-N 3.11Å; E185-H188 PolarHBondContact O-N 3.45Å; E185-Y189 HydrophobicContact CB-CD2 3.63Å; E185-Y189 HydrophobicContact CB-CE2 3.4Å; E185-Y189 VanDerWaalsContact CB-CE2 3.4Å; E185-Y189 HydrophobicContact CG-CE2 4.23Å; E185-Y189 VanDerWaalsContact O-CD2 3.25Å; E185-Y189 WeakPolarHBondContact O-CD2 3.34Å; E185-Y189 PolarHBondContact O-N 3.37Å; E185-Y189 VanDerWaalsContact OE2-CE2 3.29Å; E185-Y189 WeakPolarHBondContact OE2-CE2 3.49Å
186	R	86.6	Confident	91.9	Very high	53 Å²	53	66.5 Å²	66.5	20%	0.2	32%	0.322	C	S	.	.	H	α-helix	trans	-59.2	-46.4	-170.9	-174.1	-179.6	-61.5	-160.4	7.8	112.3	A180 K182 Q183 H188 Y189 Q190	A180-R186 HydrophobicContact CB-CB 4.19Å; A180-R186 HydrophobicContact CB-CG 4.2Å; A180-R186 PolarHBondContact O-NE 3.26Å; A180-R186 PolarHBondContact O-NH2 2.95Å; K182-R186 PolarHBondContact O-N 3.39Å; Q183-R186 WeakPolarHBondContact O-CB 3.31Å; Q183-R186 PolarHBondContact O-N 3.47Å; R186-H188 PolarHBondContact O-N 3.03Å; R186-Y189 PolarHBondContact O-N 3.43Å; R186-Q190 VanDerWaalsContact O-CB 3.28Å; R186-Q190 WeakPolarHBondContact O-CB 3.48Å; R186-Q190 PolarHBondContact O-N 3.25Å
187	T	89.7	Confident	91.9	Very high	92 Å²	92	67.5 Å²	67.5	56%	0.564	33%	0.328	S	S	*	.	H	α-helix	trans	-63.2	-44.1	-177.8	-53.6	0	0	0	0	111.6	E185 Q190 Q191	E185-T187 PolarHBondContact O-N 3.11Å; T187-Q190 PolarHBondContact O-N 2.79Å; T187-Q191 WeakPolarHBondContact O-CG 3.39Å; T187-Q191 PolarHBondContact O-N 3.21Å
188	H	91.4	Very high	91.9	Very high	125 Å²	125	76.2 Å²	76.2	58%	0.579	36%	0.361	S	S	*	.	H	α-helix	trans	-65.4	-45.9	178.9	-63.1	149.4	0	0	0	111.7	E185 R186 Q190 Q191 L192	E185-H188 PolarHBondContact O-N 3.45Å; R186-H188 PolarHBondContact O-N 3.03Å; H188-Q190 VanDerWaalsContact C-N 3.29Å; H188-Q190 PolarHBondContact O-N 2.74Å; H188-Q191 PolarHBondContact O-N 3.36Å; H188-L192 PolarHBondContact O-N 3.09Å; H188-L192 VanDerWaalsContact O-N 3.09Å
189	Y	94.3	Very high	91.9	Very high	68 Å²	68	81 Å²	81	27%	0.267	39%	0.386	S	S	.	.	H	α-helix	trans	-64.2	-35.5	176.3	-72.4	-47.9	0	0	0	112.5	I144 T145 A180 E185 R186 L192 L193	I144-Y189 HydrophobicContact CG2-CG 4.47Å; T145-Y189 HydrophobicContact CG2-CD1 4.23Å; T145-Y189 HydrophobicContact CG2-CD2 4.07Å; T145-Y189 HydrophobicContact CG2-CE1 3.88Å; T145-Y189 HydrophobicContact CG2-CE2 3.65Å; T145-Y189 HydrophobicContact CG2-CG 4.35Å; A180-Y189 HydrophobicContact CB-CD2 4.26Å; E185-Y189 HydrophobicContact CB-CD2 3.63Å; E185-Y189 HydrophobicContact CB-CE2 3.4Å; E185-Y189 VanDerWaalsContact CB-CE2 3.4Å; E185-Y189 HydrophobicContact CG-CE2 4.23Å; E185-Y189 VanDerWaalsContact O-CD2 3.25Å; E185-Y189 WeakPolarHBondContact O-CD2 3.34Å; E185-Y189 PolarHBondContact O-N 3.37Å; E185-Y189 VanDerWaalsContact OE2-CE2 3.29Å; E185-Y189 WeakPolarHBondContact OE2-CE2 3.49Å; R186-Y189 PolarHBondContact O-N 3.43Å; Y189-L192 HydrophobicContact CD1-CD1 4.44Å; Y189-L192 PolarHBondContact O-N 2.71Å; Y189-L193 WeakPolarHBondContact O-CB 3.43Å; Y189-L193 PolarHBondContact O-N 3.13Å
190	Q	96.1	Very high	92.1	Very high	49 Å²	49	85.1 Å²	85.1	23%	0.229	40%	0.402	C	S	.	.	H	α-helix	trans	-65.5	-39.1	176.1	-167.8	62.4	37.6	0	0	112	R186 T187 H188 L193 A194	R186-Q190 VanDerWaalsContact O-CB 3.28Å; R186-Q190 WeakPolarHBondContact O-CB 3.48Å; R186-Q190 PolarHBondContact O-N 3.25Å; T187-Q190 PolarHBondContact O-N 2.79Å; H188-Q190 VanDerWaalsContact C-N 3.29Å; H188-Q190 PolarHBondContact O-N 2.74Å; Q190-L193 PolarHBondContact O-N 2.94Å; Q190-A194 WeakPolarHBondContact O-CB 3.44Å; Q190-A194 PolarHBondContact O-N 3.37Å
191	Q	95.3	Very high	92.4	Very high	124 Å²	124	85.6 Å²	85.6	58%	0.579	41%	0.407	S	S	*	.	H	α-helix	trans	-64.8	-43	175.5	-72.7	172	-13	0	0	112.2	T187 H188 A194 Y195	T187-Q191 WeakPolarHBondContact O-CG 3.39Å; T187-Q191 PolarHBondContact O-N 3.21Å; H188-Q191 PolarHBondContact O-N 3.36Å; Q191-A194 PolarHBondContact O-N 3.5Å; Q191-Y195 PolarHBondContact O-N 3.36Å
192	L	96.3	Very high	93.2	Very high	116 Å²	116	82.7 Å²	82.7	61%	0.607	39%	0.386	S	S	*	.	H	α-helix	trans	-64	-43.1	175.6	-69.6	173.7	0	0	0	111.4	H188 Y189 Y195 E196	H188-L192 PolarHBondContact O-N 3.09Å; H188-L192 VanDerWaalsContact O-N 3.09Å; Y189-L192 HydrophobicContact CD1-CD1 4.44Å; Y189-L192 PolarHBondContact O-N 2.71Å; L192-Y195 WeakPolarHBondContact O-CB 3.39Å; L192-Y195 PolarHBondContact O-N 2.87Å; L192-E196 PolarHBondContact O-N 3.48Å
193	L	97.9	Very high	94	Very high	2 Å²	2	76.6 Å²	76.6	1%	0.01	36%	0.36	C	S	.	.	H	α-helix	trans	-64	-43.2	177.5	-167.2	74.1	0	0	0	111.7	L124 I144 L177 Y189 Q190 Y195 E196 D197 I203 Q205	L124-L193 HydrophobicContact CD1-CD2 3.82Å; L124-L193 HydrophobicContact CD1-CG 4.12Å; I144-L193 HydrophobicContact CD1-CB 4.18Å; I144-L193 HydrophobicContact CD1-CD2 4.01Å; I144-L193 HydrophobicContact CG1-CB 4.05Å; I144-L193 HydrophobicContact CG1-CD1 4.19Å; I144-L193 HydrophobicContact CG1-CD2 4Å; I144-L193 HydrophobicContact CG1-CG 4.31Å; L177-L193 HydrophobicContact CD2-CD1 3.43Å; L177-L193 VanDerWaalsContact CD2-CD1 3.43Å; L177-L193 HydrophobicContact CD2-CD2 3.79Å; L177-L193 HydrophobicContact CD2-CG 4.25Å; Y189-L193 WeakPolarHBondContact O-CB 3.43Å; Y189-L193 PolarHBondContact O-N 3.13Å; Q190-L193 PolarHBondContact O-N 2.94Å; L193-Y195 PolarHBondContact O-N 3.15Å; L193-E196 WeakPolarHBondContact O-CB 3.39Å; L193-E196 PolarHBondContact O-N 3.3Å; L193-D197 VanDerWaalsContact O-CB 3.29Å; L193-D197 WeakPolarHBondContact O-CB 3.46Å; L193-D197 PolarHBondContact O-N 3.36Å; L193-I203 HydrophobicContact CD1-CD1 3.72Å; L193-I203 HydrophobicContact CD1-CG2 4.3Å; L193-I203 HydrophobicContact CD2-CG2 4.25Å; L193-I203 HydrophobicContact CG-CD1 4.23Å; L193-I203 HydrophobicContact CG-CG2 4.38Å; L193-Q205 VanDerWaalsContact CD2-CD 3.49Å; L193-Q205 HydrophobicContact CD2-CG 4.3Å
194	A	97.9	Very high	94.9	Very high	30 Å²	30	70.1 Å²	70.1	25%	0.248	33%	0.33	C	S	.	.	H	α-helix	trans	-64	-30.3	175.9	0	0	0	0	0	112.4	Q190 Q191 R198	Q190-A194 WeakPolarHBondContact O-CB 3.44Å; Q190-A194 PolarHBondContact O-N 3.37Å; Q191-A194 PolarHBondContact O-N 3.5Å; A194-R198 WeakPolarHBondContact O-CG 3.36Å; A194-R198 PolarHBondContact O-N 3.1Å; A194-R198 PolarHBondContact O-NE 2.54Å
195	Y	98.1	Very high	95.8	Very high	133 Å²	133	61.4 Å²	61.4	52%	0.522	29%	0.289	S	S	.	.	H	α-helix	trans	-70.3	-46.3	171.6	179.5	-98.7	0	0	0	111.9	Q191 L192 L193 D197 R198 L199	Q191-Y195 PolarHBondContact O-N 3.36Å; L192-Y195 WeakPolarHBondContact O-CB 3.39Å; L192-Y195 PolarHBondContact O-N 2.87Å; L193-Y195 PolarHBondContact O-N 3.15Å; Y195-D197 VanDerWaalsContact C-N 3.31Å; Y195-D197 PolarHBondContact O-N 2.74Å; Y195-R198 PolarHBondContact O-N 2.89Å; Y195-L199 HydrophobicContact CD1-CD1 4.01Å; Y195-L199 HydrophobicContact CE1-CD1 3.44Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.44Å; Y195-L199 HydrophobicContact CE1-CG 4.27Å; Y195-L199 WeakPolarHBondContact O-CG 3.23Å; Y195-L199 PolarHBondContact O-N 3.38Å
196	E	98.5	Very high	96.5	Very high	16 Å²	16	58.4 Å²	58.4	8%	0.075	28%	0.275	C	S	.	.	H	α-helix	trans	-57.4	-45.4	174.1	-174.2	-175.2	177.7	0	0	111.7	R150 R154 L192 L193 R198 L199 Y200 I203	R150-E196 IonicContact CZ-OE1 2.82Å; R150-E196 IonicContact CZ-OE2 2.85Å; R150-E196 IonicContact NE-OE1 3.69Å; R150-E196 PolarHBondContact NE-OE1 2.82Å; R150-E196 IonicContact NE-OE2 2.72Å; R150-E196 PolarHBondContact NE-OE2 2.91Å; R150-E196 IonicContact NH2-OE1 3.42Å; R150-E196 IonicContact NH2-OE2 3.59Å; R150-E196 PolarHBondContact NH2-OE2 2.95Å; R154-E196 IonicContact CZ-OE1 2.71Å; R154-E196 VanDerWaalsContact CZ-OE1 3.24Å; R154-E196 IonicContact NH1-OE1 3.92Å; R154-E196 PolarHBondContact NH1-OE1 2.83Å; R154-E196 IonicContact NH2-OE1 3.39Å; R154-E196 PolarHBondContact NH2-OE1 2.96Å; L192-E196 PolarHBondContact O-N 3.48Å; L193-E196 WeakPolarHBondContact O-CB 3.39Å; L193-E196 PolarHBondContact O-N 3.3Å; E196-R198 PolarHBondContact O-N 3.09Å; E196-L199 WeakPolarHBondContact O-CB 3.4Å; E196-L199 PolarHBondContact O-N 2.85Å; E196-Y200 HydrophobicContact CG-CD2 3.74Å; E196-Y200 HydrophobicContact CG-CE2 4.07Å; E196-Y200 VanDerWaalsContact O-CD2 3.27Å; E196-Y200 WeakPolarHBondContact O-CD2 3.47Å; E196-Y200 PolarHBondContact O-N 2.88Å; E196-I203 HydrophobicContact CB-CD1 4.17Å; E196-I203 HydrophobicContact CG-CD1 3.84Å
197	D	98.6	Very high	97	Very high	21 Å²	21	59.1 Å²	59.1	11%	0.112	28%	0.282	C	S	.	.	H	α-helix	trans	-59.7	-44.7	179.5	-171.3	64.2	0	0	0	112.5	L124 H126 L193 Y195 L199 Y200 G201 I203	L124-D197 HydrophobicContact CD1-CB 4.02Å; H126-D197 IonicContact CD2-OD1 3.29Å; H126-D197 IonicContact CE1-OD1 2.69Å; H126-D197 IonicContact CE1-OD2 3.57Å; H126-D197 IonicContact NE2-OD1 2.68Å; H126-D197 PolarHBondContact NE2-OD1 3.27Å; H126-D197 IonicContact NE2-OD2 3.59Å; L193-D197 VanDerWaalsContact O-CB 3.29Å; L193-D197 WeakPolarHBondContact O-CB 3.46Å; L193-D197 PolarHBondContact O-N 3.36Å; Y195-D197 VanDerWaalsContact C-N 3.31Å; Y195-D197 PolarHBondContact O-N 2.74Å; D197-L199 PolarHBondContact O-N 2.93Å; D197-Y200 PolarHBondContact O-N 3.22Å; D197-G201 VanDerWaalsContact O-CA 3.3Å; D197-G201 WeakPolarHBondContact O-CA 3.36Å; D197-G201 PolarHBondContact O-N 2.72Å; D197-I203 HydrophobicContact CB-CD1 4.22Å; D197-I203 WeakPolarHBondContact OD1-CB 3.39Å
198	R	98.3	Very high	97.3	Very high	184 Å²	184	55 Å²	55	69%	0.694	26%	0.257	S	S	*	.	H	α-helix	trans	-61.2	-27	174.7	-75.5	-176.8	-59.7	-139.7	-1.8	113.6	A194 Y195 E196	A194-R198 WeakPolarHBondContact O-CG 3.36Å; A194-R198 PolarHBondContact O-N 3.1Å; A194-R198 PolarHBondContact O-NE 2.54Å; Y195-R198 PolarHBondContact O-N 2.89Å; E196-R198 PolarHBondContact O-N 3.09Å
199	L	97.9	Very high	97.4	Very high	99 Å²	99	52.2 Å²	52.2	52%	0.518	25%	0.246	S	C	.	.	H	α-helix	trans	-82.4	-40	179.8	-68.8	177.2	0	0	0	112.3	Y195 E196 D197	Y195-L199 HydrophobicContact CD1-CD1 4.01Å; Y195-L199 HydrophobicContact CE1-CD1 3.44Å; Y195-L199 VanDerWaalsContact CE1-CD1 3.44Å; Y195-L199 HydrophobicContact CE1-CG 4.27Å; Y195-L199 WeakPolarHBondContact O-CG 3.23Å; Y195-L199 PolarHBondContact O-N 3.38Å; E196-L199 WeakPolarHBondContact O-CB 3.4Å; E196-L199 PolarHBondContact O-N 2.85Å; D197-L199 PolarHBondContact O-N 2.93Å
200	Y	98.4	Very high	97.5	Very high	90 Å²	90	49.7 Å²	49.7	35%	0.353	24%	0.237	S	C	.	.	H	α-helix	trans	-114.5	-24	-167.2	-59.2	-68.3	0	0	0	114.5	E151 R154 E196 D197 D202	E151-Y200 VanDerWaalsContact OE2-CZ 3.31Å; E151-Y200 PolarHBondContact OE2-OH 2.86Å; R154-Y200 VanDerWaalsContact CZ-CD2 3.47Å; E196-Y200 HydrophobicContact CG-CD2 3.74Å; E196-Y200 HydrophobicContact CG-CE2 4.07Å; E196-Y200 VanDerWaalsContact O-CD2 3.27Å; E196-Y200 WeakPolarHBondContact O-CD2 3.47Å; E196-Y200 PolarHBondContact O-N 2.88Å; D197-Y200 PolarHBondContact O-N 3.22Å; Y200-D202 WeakPolarHBondContact CB-OD1 3.19Å; Y200-D202 PolarHBondContact O-N 3.06Å
201	G	98.3	Very high	97.4	Very high	16 Å²	16	49.7 Å²	49.7	17%	0.165	24%	0.24	C	C	.	.			trans	55.7	34.7	178.9	0	0	0	0	0	113.3	H126 K129 D197	H126-G201 VanDerWaalsContact CE1-CA 3.44Å; H126-G201 WeakPolarHBondContact CE1-CA 3.4Å; H126-G201 VanDerWaalsContact CG-O 3.25Å; H126-G201 PolarHBondContact ND1-O 2.93Å; K129-G201 WeakPolarHBondContact CE-O 3.4Å; D197-G201 VanDerWaalsContact O-CA 3.3Å; D197-G201 WeakPolarHBondContact O-CA 3.36Å; D197-G201 PolarHBondContact O-N 2.72Å
202	D	98.6	Very high	97.3	Very high	9 Å²	9	46.2 Å²	46.2	5%	0.048	22%	0.223	C	C	.	.			trans	-125	20.1	-170.6	64.9	7.8	0	0	0	113.2	R154 T173 L174 F175 Y200	R154-D202 IonicContact CZ-OD1 2.95Å; R154-D202 IonicContact CZ-OD2 3.45Å; R154-D202 IonicContact NE-OD1 3.95Å; R154-D202 IonicContact NE-OD2 2.89Å; R154-D202 PolarHBondContact NE-OD2 2.72Å; R154-D202 IonicContact NH2-OD1 2.68Å; R154-D202 PolarHBondContact NH2-OD1 2.71Å; R154-D202 IonicContact NH2-OD2 3.36Å; R154-D202 PolarHBondContact NH2-OD2 2.9Å; T173-D202 WeakPolarHBondContact O-CB 3.43Å; L174-D202 CarbonylContact C-O 3.54Å; L174-D202 WeakPolarHBondContact CA-O 3.46Å; F175-D202 HydrophobicContact CD2-CB 4.41Å; F175-D202 WeakPolarHBondContact CE2-OD2 3.46Å; F175-D202 PolarHBondContact N-O 3.29Å; Y200-D202 WeakPolarHBondContact CB-OD1 3.19Å; Y200-D202 PolarHBondContact O-N 3.06Å
203	I	98.9	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.6	-174.1	-57.6	174.5	0	0	0	110.8	L124 H126 L177 L193 E196 D197	L124-I203 WeakPolarHBondContact CB-O 3.42Å; L124-I203 HydrophobicContact CD1-CB 4.39Å; L124-I203 HydrophobicContact CD1-CG2 3.92Å; H126-I203 PolarHBondContact CD2-O 3.06Å; H126-I203 PolarHBondContact NE2-O 3.22Å; L177-I203 HydrophobicContact CD1-CG2 4.1Å; L177-I203 HydrophobicContact CD2-CG2 4.19Å; L193-I203 HydrophobicContact CD1-CD1 3.72Å; L193-I203 HydrophobicContact CD1-CG2 4.3Å; L193-I203 HydrophobicContact CD2-CG2 4.25Å; L193-I203 HydrophobicContact CG-CD1 4.23Å; L193-I203 HydrophobicContact CG-CG2 4.38Å; E196-I203 HydrophobicContact CB-CD1 4.17Å; E196-I203 HydrophobicContact CG-CD1 3.84Å; D197-I203 HydrophobicContact CB-CD1 4.22Å; D197-I203 WeakPolarHBondContact OD1-CB 3.39Å
204	L	98.9	Very high	97.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123	165.1	-57.1	-174.6	0	0	0	109.1	M122 H126 L174 F175 L176 L177 W206 W225	M122-L204 HydrophobicContact CE-CD2 4.17Å; H126-L204 HydrophobicContact CB-CD2 4.29Å; L174-L204 HydrophobicContact CD1-CD1 3.98Å; L174-L204 HydrophobicContact CD1-CG 4.37Å; L174-L204 HydrophobicContact CD2-CD2 4.37Å; L174-L204 HydrophobicContact CD2-CG 4.21Å; F175-L204 PolarHBondContact O-N 3.38Å; L176-L204 HydrophobicContact CD2-CB 4.15Å; L176-L204 HydrophobicContact CD2-CD1 3.97Å; L176-L204 HydrophobicContact CD2-CG 4.47Å; L177-L204 PolarHBondContact N-O 2.92Å; L204-W206 HydrophobicContact CB-CH2 3.54Å; L204-W206 HydrophobicContact CB-CZ2 4.23Å; L204-W206 HydrophobicContact CB-CZ3 3.74Å; L204-W206 HydrophobicContact CD1-CH2 3.82Å; L204-W206 HydrophobicContact CD1-CZ2 4.35Å; L204-W206 HydrophobicContact CG-CH2 4.36Å; L204-W225 HydrophobicContact CD1-CD2 3.52Å; L204-W225 HydrophobicContact CD1-CE3 3.7Å; L204-W225 HydrophobicContact CD1-CG 4.02Å; L204-W225 HydrophobicContact CD1-CH2 4.17Å; L204-W225 HydrophobicContact CD1-CZ2 4Å; L204-W225 HydrophobicContact CD1-CZ3 4Å; L204-W225 HydrophobicContact CD2-CZ2 3.85Å
205	Q	98.6	Very high	97.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133	180	-167	-171.7	21.7	0	0	111.4	M122 L123 L124 L177 G178 L193	M122-Q205 WeakPolarHBondContact CA-O 3.45Å; L123-Q205 HydrophobicContact CB-CB 4.24Å; L123-Q205 HydrophobicContact CB-CG 4.25Å; L123-Q205 HydrophobicContact CD1-CG 4.22Å; L123-Q205 PolarHBondContact N-O 3.19Å; L124-Q205 HydrophobicContact CB-CB 3.9Å; L124-Q205 HydrophobicContact CD1-CB 4.09Å; L124-Q205 HydrophobicContact CG-CB 4.07Å; L124-Q205 PolarHBondContact N-O 2.96Å; L124-Q205 PolarHBondContact O-N 3.23Å; L124-Q205 VanDerWaalsContact O-N 3.1Å; L177-Q205 HydrophobicContact CB-CG 4.24Å; L177-Q205 WeakPolarHBondContact O-CA 2.83Å; G178-Q205 PolarHBondContact O-NE2 3.16Å; L193-Q205 VanDerWaalsContact CD2-CD 3.49Å; L193-Q205 HydrophobicContact CD2-CG 4.3Å
206	W	98.4	Very high	97.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	152	173.2	-63.5	-88.8	0	0	0	112	W82 P121 M122 L176 L177 G178 L204 F208 H221 F222 W225	W82-W206 AromaticContact CE2-NE1 3.91Å; W82-W206 AromaticContact CH2-NE1 3.47Å; W82-W206 AromaticContact CZ2-CD1 3.68Å; W82-W206 AromaticContact CZ2-NE1 3.52Å; W82-W206 AromaticContact CZ3-NE1 3.83Å; P121-W206 CarbonylContact O-C 3.55Å; P121-W206 WeakPolarHBondContact O-CA 3.5Å; M122-W206 HydrophobicContact CE-CZ2 4.01Å; M122-W206 HydrophobicContact CG-CG 4.35Å; L176-W206 HydrophobicContact CB-CZ3 4.34Å; L176-W206 HydrophobicContact CD2-CH2 3.92Å; L176-W206 HydrophobicContact CD2-CZ3 3.94Å; L177-W206 PolarHBondContact O-N 3.29Å; L177-W206 VanDerWaalsContact O-N 3.11Å; G178-W206 WeakPolarHBondContact CA-O 3.33Å; L204-W206 HydrophobicContact CB-CH2 3.54Å; L204-W206 HydrophobicContact CB-CZ2 4.23Å; L204-W206 HydrophobicContact CB-CZ3 3.74Å; L204-W206 HydrophobicContact CD1-CH2 3.82Å; L204-W206 HydrophobicContact CD1-CZ2 4.35Å; L204-W206 HydrophobicContact CG-CH2 4.36Å; W206-F208 HydrophobicContact CB-CD1 3.7Å; W206-F208 HydrophobicContact CB-CE1 3.68Å; W206-F208 HydrophobicContact CG-CE1 4.41Å; W206-F208 PolarHBondContact O-N 3.31Å; W206-H221 AromaticContact CD1-CD2 3.25Å; W206-H221 AromaticContact CD1-CG 3.99Å; W206-H221 HydrophobicContact CD2-CB 3.67Å; W206-H221 HydrophobicContact CE3-CB 4.12Å; W206-H221 HydrophobicContact CG-CB 4.06Å; W206-H221 AromaticContact CG-CD2 3.5Å; W206-H221 VanDerWaalsContact CG-CD2 3.5Å; W206-H221 AromaticContact CG-CG 3.95Å; W206-H221 HydrophobicContact CH2-CB 4.3Å; W206-H221 HydrophobicContact CZ2-CB 3.88Å; W206-H221 HydrophobicContact CZ3-CB 4.42Å; W206-H221 AromaticContact NE1-CD2 3.63Å; W206-F222 HydrophobicContact CH2-CB 4.45Å; W206-W225 HydrophobicContact CZ2-CB 3.96Å; W206-W225 HydrophobicContact CZ2-CG 4.22Å
207	D	96.3	Very high	97.2	Very high	67 Å²	67	36.6 Å²	36.6	36%	0.358	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	57.6	-176.1	-166.8	21.6	0	0	0	113.5	F120 P121 L123 T179	F120-D207 WeakPolarHBondContact CD1-O 3.2Å; P121-D207 PolarHBondContact O-N 3.42Å; L123-D207 HydrophobicContact CD1-CB 4.05Å; L123-D207 HydrophobicContact CD2-CB 4.04Å; L123-D207 HydrophobicContact CG-CB 4.02Å; T179-D207 WeakPolarHBondContact CG2-OD1 3.34Å
208	F	95.8	Very high	97.2	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.022	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.4	168.9	68.2	-101.3	0	0	0	110.8	F120 G178 T179 W206 D210 N214 L217 K218 H221	F120-F208 HydrophobicContact CB-CB 4.44Å; F120-F208 HydrophobicContact CB-CD1 4.47Å; F120-F208 HydrophobicContact CD1-CB 3.93Å; F120-F208 HydrophobicContact CD2-CB 3.92Å; F120-F208 HydrophobicContact CD2-CD1 4.3Å; F120-F208 HydrophobicContact CE1-CB 4.09Å; F120-F208 HydrophobicContact CE2-CB 4.09Å; F120-F208 HydrophobicContact CG-CB 3.83Å; F120-F208 HydrophobicContact CG-CD1 4.48Å; F120-F208 HydrophobicContact CZ-CB 4.17Å; G178-F208 CarbonylContact C-O 3.47Å; G178-F208 WeakPolarHBondContact CA-O 3.4Å; T179-F208 PolarHBondContact N-O 2.98Å; T179-F208 PolarHBondContact OG1-O 3.33Å; T179-F208 VanDerWaalsContact OG1-O 3.12Å; W206-F208 HydrophobicContact CB-CD1 3.7Å; W206-F208 HydrophobicContact CB-CE1 3.68Å; W206-F208 HydrophobicContact CG-CE1 4.41Å; W206-F208 PolarHBondContact O-N 3.31Å; F208-D210 PolarHBondContact O-N 2.75Å; F208-N214 HydrophobicContact CD2-CB 4.1Å; F208-N214 HydrophobicContact CE2-CB 4.23Å; F208-L217 HydrophobicContact CB-CD1 4.17Å; F208-L217 HydrophobicContact CD1-CB 4.2Å; F208-L217 HydrophobicContact CD2-CB 4.21Å; F208-L217 HydrophobicContact CD2-CD1 4.15Å; F208-L217 HydrophobicContact CE1-CB 4.1Å; F208-L217 HydrophobicContact CE2-CB 4.14Å; F208-L217 HydrophobicContact CG-CB 4.27Å; F208-L217 HydrophobicContact CG-CD1 4.08Å; F208-L217 HydrophobicContact CZ-CB 4.09Å; F208-K218 HydrophobicContact CZ-CB 3.86Å; F208-K218 HydrophobicContact CZ-CG 4.49Å; F208-H221 AromaticContact CD1-CE1 3.92Å; F208-H221 AromaticContact CE1-ND1 3.95Å
209	L	94.6	Very high	97.2	Very high	68 Å²	68	26.9 Å²	26.9	36%	0.356	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	121.9	178.5	-60.6	-177.9	0	0	0	111.3	T211 N214	L209-T211 HydrophobicContact CB-CG2 4.22Å; L209-T211 PolarHBondContact O-N 3.13Å; L209-N214 WeakPolarHBondContact O-CB 3.04Å; L209-N214 PolarHBondContact O-ND2 3.38Å
210	D	95	Very high	97.2	Very high	14 Å²	14	22.1 Å²	22.1	8%	0.075	11%	0.114	C	C	.	.			trans	-77.8	94.4	179.6	-150.9	-27	0	0	0	111.4	V143 G178 T179 S181 F208 K218	V143-D210 HydrophobicContact CG1-CB 4.46Å; G178-D210 PolarHBondContact N-OD2 3.33Å; T179-D210 WeakPolarHBondContact O-CB 3.34Å; T179-D210 PolarHBondContact O-N 2.94Å; S181-D210 PolarHBondContact OG-O 3.39Å; F208-D210 PolarHBondContact O-N 2.75Å; D210-K218 IonicContact OD1-NZ 3.84Å; D210-K218 PolarHBondContact OD1-NZ 3.06Å; D210-K218 VanDerWaalsContact OD2-CE 3.31Å; D210-K218 WeakPolarHBondContact OD2-CE 3.41Å; D210-K218 IonicContact OD2-NZ 3.67Å; D210-K218 PolarHBondContact OD2-NZ 3.2Å
211	T	94.6	Very high	97.2	Very high	49 Å²	49	17.9 Å²	17.9	30%	0.301	10%	0.097	S	C	.	.			trans	-128	162.6	179.8	70.6	0	0	0	0	110.2	S181 L209 F213 N214 L215	S181-T211 WeakPolarHBondContact OG-CG2 2.94Å; L209-T211 HydrophobicContact CB-CG2 4.22Å; L209-T211 PolarHBondContact O-N 3.13Å; T211-F213 VanDerWaalsContact C-N 3.3Å; T211-F213 PolarHBondContact O-N 3.31Å; T211-N214 CarbonylContact O-C 3.57Å; T211-N214 WeakPolarHBondContact O-CA 3.26Å; T211-N214 PolarHBondContact O-N 3.49Å; T211-N214 WeakPolarHBondContact OG1-CB 3.48Å; T211-N214 PolarHBondContact OG1-N 3.04Å; T211-N214 PolarHBondContact OG1-ND2 3.37Å; T211-L215 PolarHBondContact O-N 2.7Å
212	F	94.4	Very high	97.3	Very high	52 Å²	52	17.1 Å²	17.1	23%	0.228	9%	0.089	C	C	.	.	G	3₁₀ helix	trans	-55.5	-41.9	179	-179.4	-108.9	0	0	0	113.1	N214 L215 K281 Y282	F212-N214 VanDerWaalsContact C-N 3.26Å; F212-N214 PolarHBondContact O-N 2.83Å; F212-L215 HydrophobicContact CD2-CD1 3.69Å; F212-L215 HydrophobicContact CE2-CD1 3.98Å; F212-L215 WeakPolarHBondContact O-CB 3.41Å; F212-L215 VanDerWaalsContact O-CG 3.31Å; F212-L215 WeakPolarHBondContact O-CG 3.28Å; F212-L215 PolarHBondContact O-N 3.32Å; F212-K281 HydrophobicContact CE1-CG 4.49Å; F212-Y282 HydrophobicContact CE1-CD1 4.38Å; F212-Y282 HydrophobicContact CE2-CD1 4.45Å; F212-Y282 AromaticContact CE2-CE1 3.96Å; F212-Y282 HydrophobicContact CE2-CE1 3.96Å; F212-Y282 AromaticContact CZ-CD1 3.61Å; F212-Y282 HydrophobicContact CZ-CD1 3.61Å; F212-Y282 AromaticContact CZ-CE1 3.56Å; F212-Y282 HydrophobicContact CZ-CE1 3.56Å
213	F	95.9	Very high	97.2	Very high	23 Å²	23	16.7 Å²	16.7	10%	0.101	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-76.3	-13.3	178.8	-72.6	2.3	0	0	0	113.7	Q107 F108 F111 T211 P324	Q107-F213 HydrophobicContact CB-CD2 4.32Å; Q107-F213 HydrophobicContact CB-CE2 3.99Å; Q107-F213 HydrophobicContact CG-CD2 4.4Å; Q107-F213 HydrophobicContact CG-CE2 3.6Å; Q107-F213 HydrophobicContact CG-CZ 3.97Å; F108-F213 AromaticContact CD1-CE2 3.5Å; F108-F213 HydrophobicContact CD1-CE2 3.5Å; F108-F213 VanDerWaalsContact CD1-CE2 3.5Å; F108-F213 AromaticContact CD1-CZ 3.89Å; F108-F213 HydrophobicContact CD1-CZ 3.89Å; F108-F213 HydrophobicContact CD2-CE2 4.49Å; F108-F213 HydrophobicContact CE1-CE1 4.42Å; F108-F213 AromaticContact CE1-CE2 3.48Å; F108-F213 HydrophobicContact CE1-CE2 3.48Å; F108-F213 VanDerWaalsContact CE1-CE2 3.48Å; F108-F213 AromaticContact CE1-CZ 3.33Å; F108-F213 HydrophobicContact CE1-CZ 3.33Å; F108-F213 HydrophobicContact CE2-CE2 4.46Å; F108-F213 HydrophobicContact CE2-CZ 4.27Å; F108-F213 HydrophobicContact CG-CE2 4.02Å; F108-F213 AromaticContact CZ-CE2 3.98Å; F108-F213 HydrophobicContact CZ-CE2 3.98Å; F108-F213 AromaticContact CZ-CZ 3.55Å; F108-F213 HydrophobicContact CZ-CZ 3.55Å; F111-F213 HydrophobicContact CB-CD2 3.95Å; F111-F213 HydrophobicContact CD2-CB 3.94Å; F111-F213 HydrophobicContact CG-CD2 4.38Å; T211-F213 VanDerWaalsContact C-N 3.3Å; T211-F213 PolarHBondContact O-N 3.31Å; F213-P324 HydrophobicContact CB-CB 3.99Å; F213-P324 HydrophobicContact CD1-CB 3.62Å; F213-P324 HydrophobicContact CD2-CB 3.98Å; F213-P324 HydrophobicContact CE1-CB 4.04Å; F213-P324 HydrophobicContact CE2-CB 4.34Å; F213-P324 HydrophobicContact CG-CB 3.6Å; F213-P324 HydrophobicContact CZ-CB 4.38Å
214	N	97.3	Very high	97.2	Very high	32 Å²	32	17.4 Å²	17.4	17%	0.171	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-96.4	5.9	174.8	-70	-13	0	0	0	112.6	F208 L209 T211 F212 T216 L217 K218	F208-N214 HydrophobicContact CD2-CB 4.1Å; F208-N214 HydrophobicContact CE2-CB 4.23Å; L209-N214 WeakPolarHBondContact O-CB 3.04Å; L209-N214 PolarHBondContact O-ND2 3.38Å; T211-N214 CarbonylContact O-C 3.57Å; T211-N214 WeakPolarHBondContact O-CA 3.26Å; T211-N214 PolarHBondContact O-N 3.49Å; T211-N214 WeakPolarHBondContact OG1-CB 3.48Å; T211-N214 PolarHBondContact OG1-N 3.04Å; T211-N214 PolarHBondContact OG1-ND2 3.37Å; F212-N214 VanDerWaalsContact C-N 3.26Å; F212-N214 PolarHBondContact O-N 2.83Å; N214-T216 PolarHBondContact O-N 3.08Å; N214-L217 HydrophobicContact CB-CD1 4.01Å; N214-L217 HydrophobicContact CB-CG 4.43Å; N214-L217 WeakPolarHBondContact O-CA 3.46Å; N214-L217 VanDerWaalsContact O-CB 3.31Å; N214-L217 WeakPolarHBondContact O-CB 3.46Å; N214-L217 PolarHBondContact O-N 3.43Å; N214-K218 PolarHBondContact O-N 3.28Å; N214-K218 VanDerWaalsContact O-N 3.15Å
215	L	97.3	Very high	97.2	Very high	28 Å²	28	17.4 Å²	17.4	15%	0.147	9%	0.09	C	C	.	.	H	α-helix	trans	-58.6	-31.9	170.9	-70.3	177.1	0	0	0	111.7	T211 F212 L217 K218 E219 D326	T211-L215 PolarHBondContact O-N 2.7Å; F212-L215 HydrophobicContact CD2-CD1 3.69Å; F212-L215 HydrophobicContact CE2-CD1 3.98Å; F212-L215 WeakPolarHBondContact O-CB 3.41Å; F212-L215 VanDerWaalsContact O-CG 3.31Å; F212-L215 WeakPolarHBondContact O-CG 3.28Å; F212-L215 PolarHBondContact O-N 3.32Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.34Å; L215-K218 WeakPolarHBondContact O-CA 3.31Å; L215-K218 VanDerWaalsContact O-CB 3.24Å; L215-K218 WeakPolarHBondContact O-CB 3.39Å; L215-K218 PolarHBondContact O-N 3.38Å; L215-K218 VanDerWaalsContact O-N 3.13Å; L215-E219 PolarHBondContact O-N 3.15Å; L215-D326 HydrophobicContact CB-CB 3.83Å
216	T	97.9	Very high	97.1	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.006	9%	0.09	C	C	.	.	H	α-helix	trans	-66.6	-32.6	174	-51.9	0	0	0	0	112.4	N214 E219 I220 L322 Y323 D326 F329	N214-T216 PolarHBondContact O-N 3.08Å; T216-E219 WeakPolarHBondContact O-CB 3.37Å; T216-E219 PolarHBondContact O-N 3.27Å; T216-I220 PolarHBondContact O-N 3.34Å; T216-I220 VanDerWaalsContact O-N 3.1Å; T216-L322 HydrophobicContact CG2-CB 4.42Å; T216-L322 HydrophobicContact CG2-CD2 4.06Å; T216-Y323 VanDerWaalsContact CB-O 3.29Å; T216-Y323 WeakPolarHBondContact CB-O 3.4Å; T216-Y323 PolarHBondContact OG1-O 3.43Å; T216-D326 WeakPolarHBondContact OG1-CA 3.27Å; T216-D326 PolarHBondContact OG1-N 3.25Å; T216-F329 HydrophobicContact CG2-CB 3.84Å; T216-F329 HydrophobicContact CG2-CD1 3.32Å; T216-F329 HydrophobicContact CG2-CD2 4.08Å; T216-F329 HydrophobicContact CG2-CE1 3.8Å; T216-F329 HydrophobicContact CG2-CG 3.45Å; T216-F329 VanDerWaalsContact CG2-CG 3.45Å; T216-F329 HydrophobicContact CG2-CZ 4.37Å
217	L	98.3	Very high	97.1	Very high	10 Å²	10	19.3 Å²	19.3	5%	0.052	10%	0.1	C	C	.	.	H	α-helix	trans	-62.2	-49.1	169.3	-65.3	177.4	0	0	0	109.4	R118 F120 F208 N214 L215 E219 I220 H221 L322	R118-L217 WeakPolarHBondContact O-CD2 3.47Å; F120-L217 HydrophobicContact CD2-CD1 4.5Å; F120-L217 HydrophobicContact CE2-CD1 3.75Å; F120-L217 HydrophobicContact CE2-CD2 4.1Å; F120-L217 HydrophobicContact CZ-CD1 4.28Å; F208-L217 HydrophobicContact CB-CD1 4.17Å; F208-L217 HydrophobicContact CD1-CB 4.2Å; F208-L217 HydrophobicContact CD2-CB 4.21Å; F208-L217 HydrophobicContact CD2-CD1 4.15Å; F208-L217 HydrophobicContact CE1-CB 4.1Å; F208-L217 HydrophobicContact CE2-CB 4.14Å; F208-L217 HydrophobicContact CG-CB 4.27Å; F208-L217 HydrophobicContact CG-CD1 4.08Å; F208-L217 HydrophobicContact CZ-CB 4.09Å; N214-L217 HydrophobicContact CB-CD1 4.01Å; N214-L217 HydrophobicContact CB-CG 4.43Å; N214-L217 WeakPolarHBondContact O-CA 3.46Å; N214-L217 VanDerWaalsContact O-CB 3.31Å; N214-L217 WeakPolarHBondContact O-CB 3.46Å; N214-L217 PolarHBondContact O-N 3.43Å; L215-L217 VanDerWaalsContact C-N 3.31Å; L215-L217 PolarHBondContact O-N 3.34Å; L217-E219 PolarHBondContact O-N 3.34Å; L217-E219 VanDerWaalsContact O-N 3.12Å; L217-I220 HydrophobicContact CD2-CD1 4.06Å; L217-I220 VanDerWaalsContact O-CG1 3.31Å; L217-I220 WeakPolarHBondContact O-CG1 3.21Å; L217-I220 PolarHBondContact O-N 3.42Å; L217-H221 PolarHBondContact O-N 3.5Å; L217-H221 PolarHBondContact O-ND1 3.45Å; L217-L322 HydrophobicContact CD2-CD1 3.47Å; L217-L322 VanDerWaalsContact CD2-CD1 3.47Å; L217-L322 HydrophobicContact CG-CD1 4.45Å
218	K	98	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-51.9	-39.3	176.3	-166.8	178.3	-84	82.6	0	112.2	K141 S142 L176 F208 D210 N214 L215 F222	K141-K218 HydrophobicContact CB-CD 4.15Å; K141-K218 HydrophobicContact CG-CD 3.88Å; S142-K218 WeakPolarHBondContact O-CE 3.45Å; L176-K218 HydrophobicContact CB-CD 3.71Å; L176-K218 HydrophobicContact CB-CG 3.69Å; L176-K218 HydrophobicContact CD1-CG 4.1Å; L176-K218 WeakPolarHBondContact O-CD 3.22Å; L176-K218 WeakPolarHBondContact O-CE 3.4Å; F208-K218 HydrophobicContact CZ-CB 3.86Å; F208-K218 HydrophobicContact CZ-CG 4.49Å; D210-K218 IonicContact OD1-NZ 3.84Å; D210-K218 PolarHBondContact OD1-NZ 3.06Å; D210-K218 VanDerWaalsContact OD2-CE 3.31Å; D210-K218 WeakPolarHBondContact OD2-CE 3.41Å; D210-K218 IonicContact OD2-NZ 3.67Å; D210-K218 PolarHBondContact OD2-NZ 3.2Å; N214-K218 PolarHBondContact O-N 3.28Å; N214-K218 VanDerWaalsContact O-N 3.15Å; L215-K218 WeakPolarHBondContact O-CA 3.31Å; L215-K218 VanDerWaalsContact O-CB 3.24Å; L215-K218 WeakPolarHBondContact O-CB 3.39Å; L215-K218 PolarHBondContact O-N 3.38Å; L215-K218 VanDerWaalsContact O-N 3.13Å; K218-F222 WeakPolarHBondContact O-CB 3.18Å; K218-F222 PolarHBondContact O-N 2.87Å; K218-F222 VanDerWaalsContact O-N 3.17Å
219	E	98	Very high	97.1	Very high	1 Å²	1	19 Å²	19	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-64.1	-56.8	176.4	-172.6	59.2	-164.8	0	0	113.5	L215 T216 L217 H221 F222 L223 K238 L330	L215-E219 PolarHBondContact O-N 3.15Å; T216-E219 WeakPolarHBondContact O-CB 3.37Å; T216-E219 PolarHBondContact O-N 3.27Å; L217-E219 PolarHBondContact O-N 3.34Å; L217-E219 VanDerWaalsContact O-N 3.12Å; E219-H221 PolarHBondContact O-N 3.49Å; E219-F222 PolarHBondContact O-N 3.01Å; E219-L223 HydrophobicContact CG-CD1 4.01Å; E219-L223 HydrophobicContact CG-CG 4.42Å; E219-L223 WeakPolarHBondContact O-CG 3.19Å; E219-L223 PolarHBondContact O-N 3.27Å; E219-K238 WeakPolarHBondContact OE2-CD 3.38Å; E219-K238 WeakPolarHBondContact OE2-CE 3.24Å; E219-K238 IonicContact OE2-NZ 2.82Å; E219-K238 PolarHBondContact OE2-NZ 3.11Å; E219-L330 HydrophobicContact CG-CD1 4.04Å; E219-L330 HydrophobicContact CG-CD2 3.65Å; E219-L330 HydrophobicContact CG-CG 3.86Å; E219-L330 WeakPolarHBondContact OE1-CD1 3.29Å; E219-L330 WeakPolarHBondContact OE1-CD2 3.41Å
220	I	98.4	Very high	97.2	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-65.5	-29.2	-175	66.2	175.7	0	0	0	112.2	R118 Y119 T216 L217 K224 C317 L322 F329	R118-I220 HydrophobicContact CB-CD1 3.92Å; R118-I220 VanDerWaalsContact O-CD1 3.28Å; R118-I220 WeakPolarHBondContact O-CD1 3.41Å; Y119-I220 HydrophobicContact CE1-CB 4.42Å; Y119-I220 HydrophobicContact CE1-CD1 4.28Å; Y119-I220 HydrophobicContact CE1-CG1 4.22Å; T216-I220 PolarHBondContact O-N 3.34Å; T216-I220 VanDerWaalsContact O-N 3.1Å; L217-I220 HydrophobicContact CD2-CD1 4.06Å; L217-I220 VanDerWaalsContact O-CG1 3.31Å; L217-I220 WeakPolarHBondContact O-CG1 3.21Å; L217-I220 PolarHBondContact O-N 3.42Å; I220-K224 WeakPolarHBondContact O-CB 3.31Å; I220-K224 PolarHBondContact O-N 3.31Å; I220-C317 HydrophobicContact CG2-CB 3.78Å; I220-L322 HydrophobicContact CD1-CD1 4.33Å; I220-L322 HydrophobicContact CD1-CD2 3.9Å; I220-L322 HydrophobicContact CG2-CD2 4.26Å; I220-F329 HydrophobicContact CG2-CE1 3.71Å; I220-F329 HydrophobicContact CG2-CZ 4.42Å
221	H	98.6	Very high	97.1	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-69.8	-45.2	175.9	-74.2	78.7	0	0	0	111.2	W82 R118 F120 W206 F208 L217 E219 K224 W225	W82-H221 HydrophobicContact CH2-CB 4.19Å; W82-H221 AromaticContact CH2-CD2 3.58Å; W82-H221 AromaticContact CZ2-CD2 3.56Å; R118-H221 PolarHBondContact O-CE1 3.46Å; F120-H221 AromaticContact CD2-CE1 3.59Å; F120-H221 AromaticContact CD2-NE2 3.56Å; F120-H221 PolarHBondContact N-NE2 3.05Å; W206-H221 AromaticContact CD1-CD2 3.25Å; W206-H221 AromaticContact CD1-CG 3.99Å; W206-H221 HydrophobicContact CD2-CB 3.67Å; W206-H221 HydrophobicContact CE3-CB 4.12Å; W206-H221 HydrophobicContact CG-CB 4.06Å; W206-H221 AromaticContact CG-CD2 3.5Å; W206-H221 VanDerWaalsContact CG-CD2 3.5Å; W206-H221 AromaticContact CG-CG 3.95Å; W206-H221 HydrophobicContact CH2-CB 4.3Å; W206-H221 HydrophobicContact CZ2-CB 3.88Å; W206-H221 HydrophobicContact CZ3-CB 4.42Å; W206-H221 AromaticContact NE1-CD2 3.63Å; F208-H221 AromaticContact CD1-CE1 3.92Å; F208-H221 AromaticContact CE1-ND1 3.95Å; L217-H221 PolarHBondContact O-N 3.5Å; L217-H221 PolarHBondContact O-ND1 3.45Å; E219-H221 PolarHBondContact O-N 3.49Å; H221-K224 PolarHBondContact O-N 3.12Å; H221-W225 VanDerWaalsContact O-CB 3.25Å; H221-W225 WeakPolarHBondContact O-CB 3.34Å; H221-W225 PolarHBondContact O-N 2.9Å
222	F	98.6	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.8	-45.2	175.1	167.7	-108.6	0	0	0	111.9	L137 V139 L176 W206 K218 E219 K224 W225 L226 I236 K238 M305	L137-F222 HydrophobicContact CD2-CE2 4.13Å; L137-F222 HydrophobicContact CD2-CZ 4.36Å; V139-F222 HydrophobicContact CB-CE2 4.29Å; V139-F222 HydrophobicContact CB-CZ 4.19Å; V139-F222 HydrophobicContact CG1-CD1 4.31Å; V139-F222 HydrophobicContact CG1-CD2 3.87Å; V139-F222 HydrophobicContact CG1-CE1 4.21Å; V139-F222 HydrophobicContact CG1-CE2 3.76Å; V139-F222 HydrophobicContact CG1-CG 4.16Å; V139-F222 HydrophobicContact CG1-CZ 3.96Å; V139-F222 HydrophobicContact CG2-CD2 4.49Å; V139-F222 HydrophobicContact CG2-CE1 4.38Å; V139-F222 HydrophobicContact CG2-CE2 3.59Å; V139-F222 HydrophobicContact CG2-CZ 3.54Å; L176-F222 HydrophobicContact CD1-CB 3.61Å; L176-F222 HydrophobicContact CD1-CD1 4.45Å; L176-F222 HydrophobicContact CD1-CD2 4.22Å; L176-F222 HydrophobicContact CD1-CG 3.81Å; L176-F222 HydrophobicContact CD2-CB 4.12Å; L176-F222 HydrophobicContact CD2-CD2 3.82Å; L176-F222 HydrophobicContact CD2-CG 4.2Å; W206-F222 HydrophobicContact CH2-CB 4.45Å; K218-F222 WeakPolarHBondContact O-CB 3.18Å; K218-F222 PolarHBondContact O-N 2.87Å; K218-F222 VanDerWaalsContact O-N 3.17Å; E219-F222 PolarHBondContact O-N 3.01Å; F222-K224 PolarHBondContact O-N 3.48Å; F222-W225 HydrophobicContact CE2-CE3 4.47Å; F222-W225 PolarHBondContact O-N 3.47Å; F222-L226 HydrophobicContact CE2-CB 4.34Å; F222-L226 HydrophobicContact CE2-CD1 4.29Å; F222-L226 HydrophobicContact CZ-CB 4.28Å; F222-L226 HydrophobicContact CZ-CD1 4.01Å; F222-L226 HydrophobicContact CZ-CD2 4.37Å; F222-L226 HydrophobicContact CZ-CG 4.46Å; F222-L226 WeakPolarHBondContact O-CB 3.35Å; F222-L226 PolarHBondContact O-N 3.19Å; F222-I236 HydrophobicContact CE1-CG2 4.16Å; F222-I236 HydrophobicContact CZ-CG2 3.91Å; F222-K238 HydrophobicContact CD1-CD 4.48Å; F222-M305 HydrophobicContact CE1-CE 3.8Å
223	L	98.4	Very high	97.1	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-63.2	-41.5	179.4	-67	176.2	0	0	0	112.2	E219 L226 D227 M305 A310 L313 H314 L330	E219-L223 HydrophobicContact CG-CD1 4.01Å; E219-L223 HydrophobicContact CG-CG 4.42Å; E219-L223 WeakPolarHBondContact O-CG 3.19Å; E219-L223 PolarHBondContact O-N 3.27Å; L223-L226 PolarHBondContact O-N 3.08Å; L223-D227 PolarHBondContact O-N 3.5Å; L223-D227 VanDerWaalsContact O-N 3.08Å; L223-M305 HydrophobicContact CD2-CE 4.02Å; L223-A310 HydrophobicContact CD2-CB 4.1Å; L223-L313 HydrophobicContact CD1-CB 3.93Å; L223-L313 HydrophobicContact CD2-CB 4.49Å; L223-H314 HydrophobicContact CB-CB 3.95Å; L223-L330 HydrophobicContact CD1-CD2 4.12Å
224	K	97.9	Very high	97.1	Very high	16 Å²	16	21.3 Å²	21.3	7%	0.07	11%	0.108	C	C	.	.	H	α-helix	trans	-63.1	-44.6	172.8	179.2	173.9	174.6	177.4	0	111.5	W82 D83 Y119 I220 H221 F222 L226 D227 I228	W82-K224 HydrophobicContact CE3-CD 4.38Å; W82-K224 HydrophobicContact CE3-CG 4.33Å; W82-K224 HydrophobicContact CH2-CB 4.3Å; W82-K224 HydrophobicContact CH2-CD 3.85Å; W82-K224 HydrophobicContact CH2-CG 4.21Å; W82-K224 HydrophobicContact CZ3-CB 3.9Å; W82-K224 HydrophobicContact CZ3-CD 3.73Å; W82-K224 HydrophobicContact CZ3-CG 3.66Å; D83-K224 WeakPolarHBondContact OD1-CE 3.4Å; D83-K224 IonicContact OD1-NZ 2.77Å; D83-K224 PolarHBondContact OD1-NZ 3.29Å; Y119-K224 HydrophobicContact CD1-CD 3.81Å; Y119-K224 HydrophobicContact CE1-CB 3.99Å; Y119-K224 HydrophobicContact CE1-CD 3.55Å; Y119-K224 HydrophobicContact CE1-CG 4.38Å; Y119-K224 HydrophobicContact CG-CD 4.4Å; I220-K224 WeakPolarHBondContact O-CB 3.31Å; I220-K224 PolarHBondContact O-N 3.31Å; H221-K224 PolarHBondContact O-N 3.12Å; F222-K224 PolarHBondContact O-N 3.48Å; K224-L226 VanDerWaalsContact C-N 3.35Å; K224-L226 PolarHBondContact O-N 3.31Å; K224-D227 PolarHBondContact O-N 3.17Å; K224-I228 HydrophobicContact CG-CD1 3.91Å; K224-I228 VanDerWaalsContact O-CG1 3.31Å; K224-I228 WeakPolarHBondContact O-CG1 3.26Å; K224-I228 PolarHBondContact O-N 3.47Å; K224-I228 VanDerWaalsContact O-N 3.12Å
225	W	98.3	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-43.3	178.8	-177.8	93	0	0	0	112	W82 M122 N125 H126 L137 L174 L204 W206 H221 F222 D227 I228 Y229 C230	W82-W225 HydrophobicContact CZ3-CB 4.25Å; M122-W225 VanDerWaalsContact CE-CD1 3.49Å; M122-W225 VanDerWaalsContact SD-CD1 3.57Å; N125-W225 PolarHBondContact OD1-NE1 2.91Å; H126-W225 WeakPolarHBondContact O-CZ2 3.37Å; L137-W225 HydrophobicContact CD2-CZ3 4.37Å; L174-W225 HydrophobicContact CD1-CH2 3.55Å; L174-W225 HydrophobicContact CD1-CZ2 4.47Å; L174-W225 HydrophobicContact CD1-CZ3 3.59Å; L204-W225 HydrophobicContact CD1-CD2 3.52Å; L204-W225 HydrophobicContact CD1-CE3 3.7Å; L204-W225 HydrophobicContact CD1-CG 4.02Å; L204-W225 HydrophobicContact CD1-CH2 4.17Å; L204-W225 HydrophobicContact CD1-CZ2 4Å; L204-W225 HydrophobicContact CD1-CZ3 4Å; L204-W225 HydrophobicContact CD2-CZ2 3.85Å; W206-W225 HydrophobicContact CZ2-CB 3.96Å; W206-W225 HydrophobicContact CZ2-CG 4.22Å; H221-W225 VanDerWaalsContact O-CB 3.25Å; H221-W225 WeakPolarHBondContact O-CB 3.34Å; H221-W225 PolarHBondContact O-N 2.9Å; F222-W225 HydrophobicContact CE2-CE3 4.47Å; F222-W225 PolarHBondContact O-N 3.47Å; W225-D227 VanDerWaalsContact C-N 3.34Å; W225-D227 PolarHBondContact O-N 2.56Å; W225-I228 PolarHBondContact O-N 3.2Å; W225-Y229 AromaticContact CD1-CD2 3.34Å; W225-Y229 AromaticContact CD1-CE2 3.47Å; W225-Y229 VanDerWaalsContact CD1-CE2 3.47Å; W225-Y229 AromaticContact CD2-CD2 3.89Å; W225-Y229 HydrophobicContact CD2-CD2 3.89Å; W225-Y229 AromaticContact CE2-CD2 3.55Å; W225-Y229 AromaticContact CG-CD2 3.75Å; W225-Y229 HydrophobicContact CG-CD2 3.75Å; W225-Y229 HydrophobicContact CG-CE2 4.26Å; W225-Y229 HydrophobicContact CZ2-CD2 4.23Å; W225-Y229 HydrophobicContact CZ2-CG 4.45Å; W225-Y229 AromaticContact NE1-CD2 3.2Å; W225-Y229 AromaticContact NE1-CE2 3.49Å; W225-Y229 WeakPolarHBondContact O-CD2 3.43Å; W225-Y229 PolarHBondContact O-N 2.83Å; W225-C230 VanDerWaalsContact CH2-SG 3.52Å; W225-C230 WeakPolarHBondContact CZ3-SG 3.31Å
226	L	97.8	Very high	97.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.8	-41.6	176.5	-175.3	84.2	0	0	0	111.6	L137 F222 L223 K224 I228 C230 I236 A310	L137-L226 HydrophobicContact CD2-CD1 3.78Å; F222-L226 HydrophobicContact CE2-CB 4.34Å; F222-L226 HydrophobicContact CE2-CD1 4.29Å; F222-L226 HydrophobicContact CZ-CB 4.28Å; F222-L226 HydrophobicContact CZ-CD1 4.01Å; F222-L226 HydrophobicContact CZ-CD2 4.37Å; F222-L226 HydrophobicContact CZ-CG 4.46Å; F222-L226 WeakPolarHBondContact O-CB 3.35Å; F222-L226 PolarHBondContact O-N 3.19Å; L223-L226 PolarHBondContact O-N 3.08Å; K224-L226 VanDerWaalsContact C-N 3.35Å; K224-L226 PolarHBondContact O-N 3.31Å; L226-I228 VanDerWaalsContact C-N 3.33Å; L226-C230 HydrophobicContact CD1-CB 3.55Å; L226-C230 HydrophobicContact CG-CB 4.1Å; L226-C230 CarbonylContact O-C 3.54Å; L226-C230 VanDerWaalsContact O-CA 3.31Å; L226-C230 WeakPolarHBondContact O-CA 3.34Å; L226-C230 WeakPolarHBondContact O-CB 3.07Å; L226-C230 PolarHBondContact O-N 2.99Å; L226-I236 HydrophobicContact CD1-CD1 4.39Å; L226-I236 HydrophobicContact CD1-CG1 4.11Å; L226-I236 HydrophobicContact CD2-CD1 3.83Å; L226-I236 HydrophobicContact CD2-CG1 4.15Å; L226-A310 HydrophobicContact CD2-CB 3.39Å
227	D	96.9	Very high	97.3	Very high	40 Å²	40	18.4 Å²	18.4	21%	0.214	9%	0.093	C	C	.	.	H	α-helix	trans	-62.9	-39.7	177.8	-169.5	58.4	0	0	0	112.3	L223 K224 W225 R311 H314	L223-D227 PolarHBondContact O-N 3.5Å; L223-D227 VanDerWaalsContact O-N 3.08Å; K224-D227 PolarHBondContact O-N 3.17Å; W225-D227 VanDerWaalsContact C-N 3.34Å; W225-D227 PolarHBondContact O-N 2.56Å; D227-R311 HydrophobicContact CB-CG 4.27Å; D227-R311 WeakPolarHBondContact OD1-CB 3.3Å; D227-R311 WeakPolarHBondContact OD1-CD 3.29Å; D227-R311 VanDerWaalsContact OD1-CG 3.23Å; D227-R311 WeakPolarHBondContact OD1-CG 3.46Å; D227-H314 IonicContact OD2-CD2 2.54Å
228	I	96.5	Very high	97.2	Very high	24 Å²	24	18 Å²	18	12%	0.123	9%	0.091	C	C	.	.	H	α-helix	trans	-72.8	-50.3	178.9	-64.2	168.4	0	0	0	111.6	P79 W82 K224 W225 L226	P79-I228 HydrophobicContact CG-CD1 4.28Å; P79-I228 HydrophobicContact CG-CG1 4.45Å; W82-I228 HydrophobicContact CE3-CD1 4.16Å; K224-I228 HydrophobicContact CG-CD1 3.91Å; K224-I228 VanDerWaalsContact O-CG1 3.31Å; K224-I228 WeakPolarHBondContact O-CG1 3.26Å; K224-I228 PolarHBondContact O-N 3.47Å; K224-I228 VanDerWaalsContact O-N 3.12Å; W225-I228 PolarHBondContact O-N 3.2Å; L226-I228 VanDerWaalsContact C-N 3.33Å
229	Y	97.3	Very high	97.2	Very high	41 Å²	41	18 Å²	18	16%	0.161	9%	0.091	C	C	.	.	H	α-helix	trans	-105.2	-15.8	-164.1	-62.5	-64.8	0	0	0	114.7	W82 N125 P127 C130 W225	W82-Y229 HydrophobicContact CB-CE2 4.43Å; W82-Y229 PolarHBondContact N-OH 3.14Å; N125-Y229 PolarHBondContact ND2-OH 3.1Å; P127-Y229 HydrophobicContact CB-CD1 3.48Å; P127-Y229 VanDerWaalsContact CB-CD1 3.48Å; P127-Y229 HydrophobicContact CB-CE1 3.86Å; P127-Y229 HydrophobicContact CB-CG 3.96Å; C130-Y229 VanDerWaalsContact CB-O 3.26Å; C130-Y229 WeakPolarHBondContact CB-O 3.35Å; W225-Y229 AromaticContact CD1-CD2 3.34Å; W225-Y229 AromaticContact CD1-CE2 3.47Å; W225-Y229 VanDerWaalsContact CD1-CE2 3.47Å; W225-Y229 AromaticContact CD2-CD2 3.89Å; W225-Y229 HydrophobicContact CD2-CD2 3.89Å; W225-Y229 AromaticContact CE2-CD2 3.55Å; W225-Y229 AromaticContact CG-CD2 3.75Å; W225-Y229 HydrophobicContact CG-CD2 3.75Å; W225-Y229 HydrophobicContact CG-CE2 4.26Å; W225-Y229 HydrophobicContact CZ2-CD2 4.23Å; W225-Y229 HydrophobicContact CZ2-CG 4.45Å; W225-Y229 AromaticContact NE1-CD2 3.2Å; W225-Y229 AromaticContact NE1-CE2 3.49Å; W225-Y229 WeakPolarHBondContact O-CD2 3.43Å; W225-Y229 PolarHBondContact O-N 2.83Å
230	C	96.1	Very high	97.2	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.014	10%	0.101	C	C	.	.			trans	-130.9	49.1	-171.3	-48.1	0	0	0	0	113.1	C130 W225 L226 H232 V233	C130-C230 HydrophobicContact CB-CB 3.7Å; C130-C230 WeakPolarHBondContact CB-SG 3.4Å; C130-C230 WeakPolarHBondContact SG-CB 3.29Å; C130-C230 CovalentContact SG-SG 2.01Å; C130-C230 PolarHBondContact SG-SG 3.25Å; W225-C230 VanDerWaalsContact CH2-SG 3.52Å; W225-C230 WeakPolarHBondContact CZ3-SG 3.31Å; L226-C230 HydrophobicContact CD1-CB 3.55Å; L226-C230 HydrophobicContact CG-CB 4.1Å; L226-C230 CarbonylContact O-C 3.54Å; L226-C230 VanDerWaalsContact O-CA 3.31Å; L226-C230 WeakPolarHBondContact O-CA 3.34Å; L226-C230 WeakPolarHBondContact O-CB 3.07Å; L226-C230 PolarHBondContact O-N 2.99Å; C230-H232 PolarHBondContact O-N 2.94Å; C230-H232 VanDerWaalsContact O-N 3.09Å; C230-V233 HydrophobicContact CB-CB 4.37Å; C230-V233 HydrophobicContact CB-CG2 3.79Å; C230-V233 PolarHBondContact O-N 3.18Å
231	P	91.8	Very high	97.2	Very high	55 Å²	55	20.6 Å²	20.6	36%	0.357	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.3	-172.4	27.2	-36	0	0	0	113.6	R311	P231-R311 PolarHBondContact O-NH1 3.17Å; P231-R311 PolarHBondContact O-NH2 3.38Å
232	H	92.9	Very high	97.1	Very high	171 Å²	171	21.7 Å²	21.7	79%	0.792	11%	0.111	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-5.4	-173.9	-56.9	-52	0	0	0	114.7	C230 P234	C230-H232 PolarHBondContact O-N 2.94Å; C230-H232 VanDerWaalsContact O-N 3.09Å; H232-P234 WeakPolarHBondContact O-CD 3.03Å
233	V	96.4	Very high	97	Very high	6 Å²	6	21.7 Å²	21.7	4%	0.036	11%	0.111	C	C	.	.			trans	-63.8	122.2	178.1	174.5	0	0	0	0	109	V134 L137 C230 F235 I236	V134-V233 HydrophobicContact CB-CG2 4.15Å; V134-V233 HydrophobicContact CG1-CG2 4.08Å; L137-V233 HydrophobicContact CB-CG1 4Å; C230-V233 HydrophobicContact CB-CB 4.37Å; C230-V233 HydrophobicContact CB-CG2 3.79Å; C230-V233 PolarHBondContact O-N 3.18Å; V233-F235 WeakPolarHBondContact CG1-O 3.31Å; V233-I236 HydrophobicContact CG1-CD1 4.48Å; V233-I236 HydrophobicContact CG1-CG1 4.44Å
234	P	96.8	Very high	97	Very high	20 Å²	20	21.7 Å²	21.7	13%	0.13	11%	0.111	C	C	.	.			trans	-79.8	-35.6	-173.6	21.4	-20.5	0	0	0	112.9	V134 Y135 H232 P259 G307	V134-P234 WeakPolarHBondContact O-CD 3.46Å; Y135-P234 HydrophobicContact CD2-CG 3.87Å; Y135-P234 HydrophobicContact CE2-CG 4.37Å; Y135-P234 HydrophobicContact CG-CG 4.42Å; Y135-P234 WeakPolarHBondContact O-CD 3.16Å; Y135-P234 VanDerWaalsContact O-CG 3.23Å; Y135-P234 WeakPolarHBondContact O-CG 3.46Å; H232-P234 WeakPolarHBondContact O-CD 3.03Å; P234-P259 HydrophobicContact CB-CB 3.61Å; P234-P259 HydrophobicContact CB-CG 3.32Å; P234-G307 PolarHBondContact O-N 2.68Å
235	F	98.3	Very high	97	Very high	1 Å²	1	21 Å²	21	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	145.9	-176.7	-60.2	-68.7	0	0	0	112.6	Y135 L136 L137 V233 L254 R257 P259 L263	Y135-F235 HydrophobicContact CE1-CD2 4.01Å; Y135-F235 HydrophobicContact CE1-CE2 4.46Å; Y135-F235 AromaticContact CE2-CD2 3.93Å; Y135-F235 HydrophobicContact CE2-CD2 3.93Å; Y135-F235 AromaticContact CE2-CE2 3.87Å; Y135-F235 HydrophobicContact CE2-CE2 3.87Å; Y135-F235 AromaticContact CZ-CD2 3.62Å; Y135-F235 AromaticContact CZ-CE2 3.65Å; Y135-F235 PolarHBondContact O-N 3.12Å; Y135-F235 WeakPolarHBondContact OH-CE2 3.31Å; L136-F235 WeakPolarHBondContact CA-O 3.42Å; L136-F235 HydrophobicContact CD1-CB 3.96Å; L137-F235 PolarHBondContact N-O 3.31Å; V233-F235 WeakPolarHBondContact CG1-O 3.31Å; F235-L254 HydrophobicContact CB-CD1 3.93Å; F235-L254 HydrophobicContact CB-CD2 4.32Å; F235-L254 HydrophobicContact CD1-CD2 3.62Å; F235-L254 HydrophobicContact CD2-CD1 4.2Å; F235-L254 HydrophobicContact CD2-CD2 4.22Å; F235-L254 HydrophobicContact CE1-CD2 3.92Å; F235-L254 HydrophobicContact CE2-CD2 4.47Å; F235-L254 HydrophobicContact CG-CD1 4.03Å; F235-L254 HydrophobicContact CG-CD2 3.78Å; F235-L254 HydrophobicContact CG-CG 4.43Å; F235-L254 HydrophobicContact CZ-CD2 4.33Å; F235-R257 HydrophobicContact CE1-CB 4.16Å; F235-R257 HydrophobicContact CZ-CB 3.9Å; F235-R257 WeakPolarHBondContact CZ-O 3.27Å; F235-P259 HydrophobicContact CE2-CG 4.01Å; F235-P259 HydrophobicContact CZ-CB 4.41Å; F235-P259 HydrophobicContact CZ-CG 3.9Å; F235-L263 HydrophobicContact CD1-CD2 4.07Å; F235-L263 HydrophobicContact CE1-CD2 3.83Å
236	I	98.4	Very high	97	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.5	175.7	-59.2	90.5	0	0	0	107.7	L137 V139 F222 L226 V233 L304 M305 A310	L137-I236 HydrophobicContact CB-CG1 4.37Å; L137-I236 WeakPolarHBondContact O-CA 3.47Å; V139-I236 HydrophobicContact CB-CG2 4.35Å; V139-I236 HydrophobicContact CG2-CG2 3.83Å; F222-I236 HydrophobicContact CE1-CG2 4.16Å; F222-I236 HydrophobicContact CZ-CG2 3.91Å; L226-I236 HydrophobicContact CD1-CD1 4.39Å; L226-I236 HydrophobicContact CD1-CG1 4.11Å; L226-I236 HydrophobicContact CD2-CD1 3.83Å; L226-I236 HydrophobicContact CD2-CG1 4.15Å; V233-I236 HydrophobicContact CG1-CD1 4.48Å; V233-I236 HydrophobicContact CG1-CG1 4.44Å; I236-L304 CarbonylContact O-C 3.5Å; I236-L304 WeakPolarHBondContact O-CA 3.44Å; I236-M305 HydrophobicContact CB-CE 3.84Å; I236-M305 HydrophobicContact CB-CG 3.95Å; I236-M305 HydrophobicContact CG1-CE 4.33Å; I236-M305 HydrophobicContact CG2-CE 3.7Å; I236-M305 PolarHBondContact N-O 3.35Å; I236-M305 PolarHBondContact O-N 3.19Å; I236-A310 HydrophobicContact CD1-CB 4.08Å
237	F	98.6	Very high	96.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.2	159.9	173.1	-99.7	0	0	0	108	L136 L137 V138 V139 W157 V245 L250 L304 F347 V372	L136-F237 HydrophobicContact CD1-CB 4.12Å; L137-F237 PolarHBondContact O-N 2.99Å; V138-F237 HydrophobicContact CG1-CD1 4.06Å; V139-F237 PolarHBondContact N-O 3.17Å; W157-F237 HydrophobicContact CZ3-CE1 4.13Å; F237-V245 HydrophobicContact CE1-CG1 4.31Å; F237-V245 HydrophobicContact CE1-CG2 3.7Å; F237-V245 HydrophobicContact CE2-CG1 4.47Å; F237-V245 HydrophobicContact CZ-CG1 4.14Å; F237-V245 HydrophobicContact CZ-CG2 3.54Å; F237-L250 HydrophobicContact CB-CD1 4.28Å; F237-L250 HydrophobicContact CD2-CD1 3.8Å; F237-L250 HydrophobicContact CD2-CD2 4.28Å; F237-L250 HydrophobicContact CE2-CD1 4.3Å; F237-L250 HydrophobicContact CG-CD1 3.92Å; F237-L304 HydrophobicContact CB-CD2 3.74Å; F237-L304 HydrophobicContact CD2-CD2 4.08Å; F237-L304 HydrophobicContact CD2-CG 4.26Å; F237-L304 HydrophobicContact CG-CD2 4.42Å; F237-F347 HydrophobicContact CE2-CE1 4.34Å; F237-V372 HydrophobicContact CE2-CG2 3.57Å; F237-V372 HydrophobicContact CZ-CG2 3.88Å
238	K	98.2	Very high	96.8	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133	172	179.1	161.3	171.2	-92.9	0	110.2	V139 E219 F222 G302 F303	V139-K238 CarbonylContact O-C 3.56Å; V139-K238 VanDerWaalsContact O-CA 3.26Å; V139-K238 WeakPolarHBondContact O-CA 3.48Å; E219-K238 WeakPolarHBondContact OE2-CD 3.38Å; E219-K238 WeakPolarHBondContact OE2-CE 3.24Å; E219-K238 IonicContact OE2-NZ 2.82Å; E219-K238 PolarHBondContact OE2-NZ 3.11Å; F222-K238 HydrophobicContact CD1-CD 4.48Å; K238-G302 CarbonylContact O-C 3.32Å; K238-G302 WeakPolarHBondContact O-CA 3.43Å; K238-F303 HydrophobicContact CB-CD2 4.31Å; K238-F303 HydrophobicContact CB-CE2 3.79Å; K238-F303 HydrophobicContact CB-CZ 3.94Å; K238-F303 HydrophobicContact CD-CE2 4.38Å; K238-F303 HydrophobicContact CD-CZ 3.91Å; K238-F303 HydrophobicContact CG-CE2 4.37Å; K238-F303 HydrophobicContact CG-CZ 4.02Å; K238-F303 PolarHBondContact N-O 3.04Å; K238-F303 PolarHBondContact O-N 3.37Å
239	G	97.1	Very high	96.8	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.01	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	174.1	-179	0	0	0	0	0	114.1	V139 V140 K141	V139-G239 PolarHBondContact O-N 2.01Å; V140-G239 WeakPolarHBondContact CA-O 3.24Å; K141-G239 PolarHBondContact N-O 3.21Å
240	D	97.8	Very high	96.7	Very high	39 Å²	39	20.6 Å²	20.6	21%	0.209	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	163.2	172.4	-73.4	-20	0	0	0	111	K141 D242 V243 G300	K141-D240 WeakPolarHBondContact CE-OD1 3.34Å; K141-D240 IonicContact NZ-OD1 3.19Å; K141-D240 PolarHBondContact NZ-OD1 2.97Å; D240-D242 VanDerWaalsContact C-N 3.26Å; D240-D242 PolarHBondContact O-N 3.14Å; D240-V243 HydrophobicContact CB-CG1 4.45Å; D240-V243 WeakPolarHBondContact O-CG2 3.41Å; D240-G300 VanDerWaalsContact OD2-O 3.08Å
241	D	97.8	Very high	96.8	Very high	16 Å²	16	21 Å²	21	9%	0.086	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	5.8	179.1	67.8	9	0	0	0	114.9	V140 K141 S142 R149 I153	V140-D241 HydrophobicContact CG1-CB 3.84Å; K141-D241 WeakPolarHBondContact O-CB 3.44Å; K141-D241 PolarHBondContact O-N 3.43Å; S142-D241 WeakPolarHBondContact CA-OD2 3.37Å; S142-D241 WeakPolarHBondContact CB-OD2 3.38Å; S142-D241 PolarHBondContact OG-OD2 3.2Å; R149-D241 HydrophobicContact CB-CB 4.12Å; R149-D241 WeakPolarHBondContact CD-OD1 3.46Å; R149-D241 IonicContact CZ-OD1 2.78Å; R149-D241 IonicContact NE-OD1 2.81Å; R149-D241 IonicContact NH1-OD1 3.26Å; R149-D241 PolarHBondContact NH1-OD1 2.96Å; I153-D241 HydrophobicContact CD1-CB 3.94Å
242	D	97.3	Very high	96.9	Very high	22 Å²	22	22.3 Å²	22.3	12%	0.118	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	25.5	177.7	68.9	-9.8	0	0	0	114.1	D240 H374 K375 L376	D240-D242 VanDerWaalsContact C-N 3.26Å; D240-D242 PolarHBondContact O-N 3.14Å; D242-H374 IonicContact OD1-CD2 3.91Å; D242-H374 PolarHBondContact OD1-CD2 2.89Å; D242-H374 VanDerWaalsContact OD1-CD2 3.29Å; D242-H374 IonicContact OD1-NE2 3.73Å; D242-H374 PolarHBondContact OD1-NE2 3.4Å; D242-H374 IonicContact OD2-CE1 3.87Å; D242-H374 IonicContact OD2-NE2 3.86Å; D242-H374 PolarHBondContact OD2-NE2 3.02Å; D242-K375 HydrophobicContact CB-CB 4.31Å; D242-K375 CarbonylContact O-C 3.58Å; D242-K375 WeakPolarHBondContact O-CA 3.25Å; D242-K375 WeakPolarHBondContact O-CB 3.49Å; D242-L376 PolarHBondContact O-N 3.33Å
243	V	97.5	Very high	97	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	158.6	177.2	-58.1	0	0	0	0	113.5	W157 D240 V245 G301 V372 H374	W157-V243 HydrophobicContact CH2-CG2 4.42Å; W157-V243 HydrophobicContact CZ2-CG2 4.02Å; W157-V243 PolarHBondContact NE1-O 3.39Å; D240-V243 HydrophobicContact CB-CG1 4.45Å; D240-V243 WeakPolarHBondContact O-CG2 3.41Å; V243-V245 HydrophobicContact CG2-CG2 3.74Å; V243-G301 WeakPolarHBondContact CG1-O 3.25Å; V243-V372 HydrophobicContact CB-CG1 4.11Å; V243-V372 HydrophobicContact CG1-CG1 4.34Å; V243-V372 HydrophobicContact CG2-CG1 4.25Å; V243-H374 HydrophobicContact CG1-CB 4.22Å
244	F	97.8	Very high	97	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	132.9	159.1	-179.3	-85.5	0	0	0	109.2	N246 F367 V372 V373 L376 L381 M384 W385 V388	F244-N246 HydrophobicContact CE1-CB 4.15Å; F244-F367 HydrophobicContact CB-CD1 3.76Å; F244-F367 HydrophobicContact CB-CE1 3.87Å; F244-F367 HydrophobicContact CD1-CB 4.3Å; F244-F367 AromaticContact CD1-CD1 3.7Å; F244-F367 HydrophobicContact CD1-CD1 3.7Å; F244-F367 HydrophobicContact CD2-CD1 4.07Å; F244-F367 HydrophobicContact CE1-CB 4.06Å; F244-F367 HydrophobicContact CE1-CD1 4.28Å; F244-F367 WeakPolarHBondContact CE1-O 3.36Å; F244-F367 AromaticContact CG-CD1 3.58Å; F244-F367 HydrophobicContact CG-CD1 3.58Å; F244-F367 HydrophobicContact CG-CE1 4.2Å; F244-F367 HydrophobicContact CZ-CB 4.31Å; F244-V372 CarbonylContact O-C 3.47Å; F244-V372 WeakPolarHBondContact O-CA 3.29Å; F244-V373 HydrophobicContact CB-CB 4.47Å; F244-V373 PolarHBondContact N-O 3.4Å; F244-V373 PolarHBondContact O-N 3.07Å; F244-L376 HydrophobicContact CB-CD1 3.92Å; F244-L376 HydrophobicContact CD2-CD1 4.13Å; F244-L376 HydrophobicContact CG-CD1 4.43Å; F244-L381 HydrophobicContact CB-CD1 4.35Å; F244-L381 HydrophobicContact CD2-CD1 3.89Å; F244-M384 HydrophobicContact CD2-CG 4.17Å; F244-M384 HydrophobicContact CE2-CG 4.19Å; F244-W385 HydrophobicContact CD2-CE3 4.48Å; F244-W385 AromaticContact CE2-CE3 3.69Å; F244-W385 HydrophobicContact CE2-CE3 3.69Å; F244-W385 HydrophobicContact CE2-CZ3 4.29Å; F244-W385 HydrophobicContact CZ-CE3 4.08Å; F244-W385 HydrophobicContact CZ-CZ3 4.29Å; F244-V388 HydrophobicContact CE2-CG2 4.37Å; F244-V388 HydrophobicContact CZ-CB 4.31Å; F244-V388 HydrophobicContact CZ-CG1 4.13Å; F244-V388 HydrophobicContact CZ-CG2 4.08Å
245	V	98.1	Very high	96.8	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.012	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	140.4	172.7	-175.4	0	0	0	0	108.5	W157 F237 V243 P247 L250 L371 V372	W157-V245 HydrophobicContact CB-CB 3.99Å; W157-V245 WeakPolarHBondContact CB-O 3.27Å; W157-V245 HydrophobicContact CD2-CB 3.72Å; W157-V245 HydrophobicContact CD2-CG2 3.7Å; W157-V245 HydrophobicContact CE3-CB 3.81Å; W157-V245 HydrophobicContact CE3-CG2 3.68Å; W157-V245 HydrophobicContact CG-CB 3.83Å; W157-V245 HydrophobicContact CG-CG2 4.27Å; W157-V245 HydrophobicContact CH2-CG2 4.11Å; W157-V245 HydrophobicContact CZ2-CG2 4.12Å; W157-V245 HydrophobicContact CZ3-CG2 3.9Å; F237-V245 HydrophobicContact CE1-CG1 4.31Å; F237-V245 HydrophobicContact CE1-CG2 3.7Å; F237-V245 HydrophobicContact CE2-CG1 4.47Å; F237-V245 HydrophobicContact CZ-CG1 4.14Å; F237-V245 HydrophobicContact CZ-CG2 3.54Å; V243-V245 HydrophobicContact CG2-CG2 3.74Å; V245-P247 WeakPolarHBondContact O-CD 3.02Å; V245-L250 HydrophobicContact CG1-CD1 3.31Å; V245-L250 HydrophobicContact CG1-CG 3.94Å; V245-L371 WeakPolarHBondContact CA-O 3.13Å; V245-V372 HydrophobicContact CG2-CG2 4.49Å
246	N	97.4	Very high	96.2	Very high	7 Å²	7	21.5 Å²	21.5	4%	0.037	12%	0.119	C	C	.	.			trans	-101.3	100.3	168.4	-173.4	-29.4	0	0	0	109.7	F244 T248 N249 L250 R368 M370 L371	F244-N246 HydrophobicContact CE1-CB 4.15Å; N246-T248 VanDerWaalsContact C-N 3.26Å; N246-T248 PolarHBondContact O-N 3.13Å; N246-T248 WeakPolarHBondContact OD1-CB 3.35Å; N246-T248 PolarHBondContact OD1-N 3.12Å; N246-T248 VanDerWaalsContact OD1-N 3.11Å; N246-N249 HydrophobicContact CB-CB 4.03Å; N246-N249 VanDerWaalsContact CG-CG 3.42Å; N246-N249 VanDerWaalsContact ND2-CG 3.32Å; N246-N249 PolarHBondContact ND2-ND2 3.33Å; N246-N249 PolarHBondContact ND2-OD1 2.77Å; N246-N249 PolarHBondContact O-N 3.46Å; N246-N249 PolarHBondContact OD1-N 3.13Å; N246-L250 PolarHBondContact O-N 3.25Å; N246-R368 PolarHBondContact ND2-O 3.25Å; N246-M370 WeakPolarHBondContact CB-O 3.35Å; N246-L371 PolarHBondContact N-O 3.43Å
247	P	96.1	Very high	95.9	Very high	13 Å²	13	25.4 Å²	25.4	8%	0.084	13%	0.134	C	C	.	.	H	α-helix	trans	-63.5	-32.1	-176.3	-22.3	34.6	0	0	0	112.8	W157 V245 L250 L251 W385	W157-P247 HydrophobicContact CB-CG 3.9Å; W157-P247 VanDerWaalsContact O-CG 3.31Å; W157-P247 WeakPolarHBondContact O-CG 3.31Å; V245-P247 WeakPolarHBondContact O-CD 3.02Å; P247-L250 PolarHBondContact O-N 2.72Å; P247-L251 WeakPolarHBondContact O-CB 3.17Å; P247-L251 WeakPolarHBondContact O-CG 3.48Å; P247-L251 PolarHBondContact O-N 2.8Å; P247-W385 HydrophobicContact CG-CH2 4.22Å
248	T	94.9	Very high	95.4	Very high	58 Å²	58	31.5 Å²	31.5	36%	0.356	16%	0.162	S	C	.	.	H	α-helix	trans	-63.7	-47.7	177.5	-55.5	0	0	0	0	110.2	N246 L250 L251 E252	N246-T248 VanDerWaalsContact C-N 3.26Å; N246-T248 PolarHBondContact O-N 3.13Å; N246-T248 WeakPolarHBondContact OD1-CB 3.35Å; N246-T248 PolarHBondContact OD1-N 3.12Å; N246-T248 VanDerWaalsContact OD1-N 3.11Å; T248-L250 VanDerWaalsContact C-N 3.35Å; T248-L250 PolarHBondContact O-N 3.23Å; T248-L251 PolarHBondContact O-N 3.37Å; T248-E252 WeakPolarHBondContact O-CB 3.39Å; T248-E252 WeakPolarHBondContact O-CG 3.47Å; T248-E252 PolarHBondContact O-N 2.8Å
249	N	96.2	Very high	94.6	Very high	17 Å²	17	33.6 Å²	33.6	9%	0.091	18%	0.176	C	C	.	.	H	α-helix	trans	-65.3	-38	178.2	-64.7	1.3	0	0	0	111.7	N246 E252 F253 R368 A369 M370 L371 L401	N246-N249 HydrophobicContact CB-CB 4.03Å; N246-N249 VanDerWaalsContact CG-CG 3.42Å; N246-N249 VanDerWaalsContact ND2-CG 3.32Å; N246-N249 PolarHBondContact ND2-ND2 3.33Å; N246-N249 PolarHBondContact ND2-OD1 2.77Å; N246-N249 PolarHBondContact O-N 3.46Å; N246-N249 PolarHBondContact OD1-N 3.13Å; N249-E252 PolarHBondContact O-N 3.48Å; N249-F253 WeakPolarHBondContact O-CB 2.82Å; N249-F253 PolarHBondContact O-N 3.1Å; N249-R368 PolarHBondContact ND2-O 2.85Å; N249-A369 PolarHBondContact ND2-O 3.47Å; N249-M370 PolarHBondContact ND2-O 2.78Å; N249-L371 HydrophobicContact CB-CG 4.28Å; N249-L401 HydrophobicContact CB-CD1 4.43Å; N249-L401 HydrophobicContact CB-CD2 4.19Å; N249-L401 VanDerWaalsContact O-CD2 3.26Å; N249-L401 WeakPolarHBondContact O-CD2 3.41Å
250	L	96.3	Very high	93.8	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-59.1	-48.6	172.8	-67.9	-174.8	0	0	0	111.4	F237 V245 N246 P247 T248 E252 F253 L254 L304 F347 L371	F237-L250 HydrophobicContact CB-CD1 4.28Å; F237-L250 HydrophobicContact CD2-CD1 3.8Å; F237-L250 HydrophobicContact CD2-CD2 4.28Å; F237-L250 HydrophobicContact CE2-CD1 4.3Å; F237-L250 HydrophobicContact CG-CD1 3.92Å; V245-L250 HydrophobicContact CG1-CD1 3.31Å; V245-L250 HydrophobicContact CG1-CG 3.94Å; N246-L250 PolarHBondContact O-N 3.25Å; P247-L250 PolarHBondContact O-N 2.72Å; T248-L250 VanDerWaalsContact C-N 3.35Å; T248-L250 PolarHBondContact O-N 3.23Å; L250-E252 VanDerWaalsContact C-N 3.33Å; L250-E252 PolarHBondContact O-N 3.26Å; L250-F253 PolarHBondContact O-N 2.71Å; L250-L254 WeakPolarHBondContact O-CB 3.38Å; L250-L254 VanDerWaalsContact O-CG 3.27Å; L250-L254 WeakPolarHBondContact O-CG 3.45Å; L250-L254 PolarHBondContact O-N 2.98Å; L250-L304 HydrophobicContact CD2-CD1 3.84Å; L250-L304 HydrophobicContact CD2-CD2 4.42Å; L250-L304 HydrophobicContact CD2-CG 4.17Å; L250-F347 HydrophobicContact CD2-CZ 4.43Å; L250-L371 HydrophobicContact CD2-CB 3.91Å; L250-L371 HydrophobicContact CD2-CD2 3.72Å; L250-L371 HydrophobicContact CD2-CG 4.13Å
251	L	96.6	Very high	93.2	Very high	9 Å²	9	42 Å²	42	5%	0.047	21%	0.214	C	C	.	.	H	α-helix	trans	-69.7	-29.8	-177.7	-69.6	177.5	0	0	0	113	Y135 L136 A164 R168 V171 P247 T248 A255	Y135-L251 HydrophobicContact CD1-CD2 4.03Å; Y135-L251 HydrophobicContact CE1-CD2 4.01Å; L136-L251 HydrophobicContact CB-CD2 4.49Å; L136-L251 HydrophobicContact CD2-CD2 3.92Å; A164-L251 HydrophobicContact CB-CD1 4.03Å; A164-L251 HydrophobicContact CB-CD2 3.7Å; A164-L251 HydrophobicContact CB-CG 4.47Å; R168-L251 PolarHBondContact NH1-O 2.76Å; R168-L251 PolarHBondContact NH2-O 2.82Å; V171-L251 HydrophobicContact CG2-CD1 4.34Å; V171-L251 HydrophobicContact CG2-CD2 4.36Å; P247-L251 WeakPolarHBondContact O-CB 3.17Å; P247-L251 WeakPolarHBondContact O-CG 3.48Å; P247-L251 PolarHBondContact O-N 2.8Å; T248-L251 PolarHBondContact O-N 3.37Å; L251-A255 PolarHBondContact O-N 2.93Å
252	E	95.3	Very high	93	Very high	83 Å²	83	45.6 Å²	45.6	39%	0.388	23%	0.233	S	C	.	.	H	α-helix	trans	-69.9	-47.5	171.6	-75	179.4	176.3	0	0	110.9	T248 N249 L250 L254 A255 L401	T248-E252 WeakPolarHBondContact O-CB 3.39Å; T248-E252 WeakPolarHBondContact O-CG 3.47Å; T248-E252 PolarHBondContact O-N 2.8Å; N249-E252 PolarHBondContact O-N 3.48Å; L250-E252 VanDerWaalsContact C-N 3.33Å; L250-E252 PolarHBondContact O-N 3.26Å; E252-L254 PolarHBondContact O-N 2.78Å; E252-A255 VanDerWaalsContact O-CB 3.27Å; E252-A255 WeakPolarHBondContact O-CB 3.4Å; E252-A255 PolarHBondContact O-N 3.42Å; E252-L401 HydrophobicContact CB-CD1 3.78Å; E252-L401 HydrophobicContact CB-CD2 4.44Å; E252-L401 WeakPolarHBondContact OE2-CD1 3.43Å
253	F	95	Very high	92.9	Very high	11 Å²	11	44.7 Å²	44.7	5%	0.048	23%	0.228	C	C	.	.	H	α-helix	trans	-57.2	-38.4	175	173.1	-93.4	0	0	0	112.5	N249 L250 A255 R257 L263 V265 L304 H344 L371 L401	N249-F253 WeakPolarHBondContact O-CB 2.82Å; N249-F253 PolarHBondContact O-N 3.1Å; L250-F253 PolarHBondContact O-N 2.71Å; F253-A255 VanDerWaalsContact C-N 3.33Å; F253-R257 HydrophobicContact CE1-CG 4.43Å; F253-R257 WeakPolarHBondContact O-CG 3.29Å; F253-L263 HydrophobicContact CE1-CD1 4.37Å; F253-L263 HydrophobicContact CE1-CD2 4.48Å; F253-L263 HydrophobicContact CZ-CD1 4.4Å; F253-V265 HydrophobicContact CE1-CG1 3.69Å; F253-V265 HydrophobicContact CZ-CB 4.43Å; F253-V265 HydrophobicContact CZ-CG1 3.9Å; F253-V265 HydrophobicContact CZ-CG2 4.12Å; F253-L304 HydrophobicContact CD1-CD1 3.64Å; F253-L304 HydrophobicContact CE1-CD1 3.99Å; F253-H344 AromaticContact CD2-CD2 3.95Å; F253-H344 AromaticContact CD2-NE2 3.59Å; F253-H344 AromaticContact CE2-CD2 3.51Å; F253-H344 AromaticContact CE2-NE2 3.63Å; F253-L371 HydrophobicContact CB-CD2 4.04Å; F253-L371 HydrophobicContact CG-CD2 4.17Å; F253-L401 HydrophobicContact CB-CD2 3.88Å
254	L	95.6	Very high	92.9	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-12.3	178.8	-69.1	175.1	0	0	0	113.9	Y135 L136 F235 L250 E252 D256 R257 L263 L304	Y135-L254 HydrophobicContact CE1-CB 4.29Å; Y135-L254 HydrophobicContact CE1-CD1 4.32Å; Y135-L254 PolarHBondContact OH-O 3.33Å; L136-L254 HydrophobicContact CD1-CD1 4.13Å; L136-L254 HydrophobicContact CD2-CD1 4.48Å; F235-L254 HydrophobicContact CB-CD1 3.93Å; F235-L254 HydrophobicContact CB-CD2 4.32Å; F235-L254 HydrophobicContact CD1-CD2 3.62Å; F235-L254 HydrophobicContact CD2-CD1 4.2Å; F235-L254 HydrophobicContact CD2-CD2 4.22Å; F235-L254 HydrophobicContact CE1-CD2 3.92Å; F235-L254 HydrophobicContact CE2-CD2 4.47Å; F235-L254 HydrophobicContact CG-CD1 4.03Å; F235-L254 HydrophobicContact CG-CD2 3.78Å; F235-L254 HydrophobicContact CG-CG 4.43Å; F235-L254 HydrophobicContact CZ-CD2 4.33Å; L250-L254 WeakPolarHBondContact O-CB 3.38Å; L250-L254 VanDerWaalsContact O-CG 3.27Å; L250-L254 WeakPolarHBondContact O-CG 3.45Å; L250-L254 PolarHBondContact O-N 2.98Å; E252-L254 PolarHBondContact O-N 2.78Å; L254-D256 VanDerWaalsContact C-N 3.26Å; L254-D256 PolarHBondContact O-N 2.69Å; L254-R257 PolarHBondContact O-N 3.17Å; L254-L263 HydrophobicContact CD2-CD2 3.91Å; L254-L304 HydrophobicContact CD1-CD2 4.08Å; L254-L304 HydrophobicContact CD2-CD1 4.09Å; L254-L304 HydrophobicContact CD2-CD2 4.47Å; L254-L304 HydrophobicContact CG-CD1 4.2Å
255	A	92.2	Very high	92.9	Very high	29 Å²	29	44.9 Å²	44.9	24%	0.24	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-32.6	-172.2	0	0	0	0	0	113.3	R168 L251 E252 F253	R168-A255 VanDerWaalsContact NH1-CA 3.3Å; L251-A255 PolarHBondContact O-N 2.93Å; E252-A255 VanDerWaalsContact O-CB 3.27Å; E252-A255 WeakPolarHBondContact O-CB 3.4Å; E252-A255 PolarHBondContact O-N 3.42Å; F253-A255 VanDerWaalsContact C-N 3.33Å
256	D	87.2	Confident	92.9	Very high	141 Å²	141	44.8 Å²	44.8	75%	0.754	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-103.4	13.1	-178	-56.3	-38.9	0	0	0	112.4	L254	L254-D256 VanDerWaalsContact C-N 3.26Å; L254-D256 PolarHBondContact O-N 2.69Å
257	R	91.3	Very high	92.9	Very high	82 Å²	82	46.4 Å²	46.4	31%	0.309	24%	0.237	S	C	.	.			trans	-102.2	139.8	-178.3	-60.3	-62.1	178.3	-176.4	-6.6	111.3	F235 F253 L254 E261 L263	F235-R257 HydrophobicContact CE1-CB 4.16Å; F235-R257 HydrophobicContact CZ-CB 3.9Å; F235-R257 WeakPolarHBondContact CZ-O 3.27Å; F253-R257 HydrophobicContact CE1-CG 4.43Å; F253-R257 WeakPolarHBondContact O-CG 3.29Å; L254-R257 PolarHBondContact O-N 3.17Å; R257-E261 IonicContact NH1-OE2 3.38Å; R257-L263 HydrophobicContact CB-CD2 4.35Å; R257-L263 HydrophobicContact CG-CD2 4.29Å
258	Q	87.9	Confident	92.9	Very high	128 Å²	128	46.7 Å²	46.7	60%	0.598	24%	0.238	S	C	*	.			trans	-95	135.5	172.6	-59.3	-173.9	7	0	0	111	Q260 E261	Q258-Q260 PolarHBondContact O-N 2.97Å; Q258-E261 HydrophobicContact CB-CG 4.14Å; Q258-E261 WeakPolarHBondContact CB-OE1 3.39Å; Q258-E261 PolarHBondContact N-OE1 3.38Å; Q258-E261 VanDerWaalsContact O-CB 3.31Å; Q258-E261 WeakPolarHBondContact O-CB 3.46Å; Q258-E261 WeakPolarHBondContact O-CG 3.38Å; Q258-E261 PolarHBondContact O-N 3.28Å
259	P	81.1	Confident	93	Very high	46 Å²	46	45.8 Å²	45.8	30%	0.299	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-15	178.4	-23.2	34.4	0	0	0	114.7	P234 F235 E261 S308	P234-P259 HydrophobicContact CB-CB 3.61Å; P234-P259 HydrophobicContact CB-CG 3.32Å; F235-P259 HydrophobicContact CE2-CG 4.01Å; F235-P259 HydrophobicContact CZ-CB 4.41Å; F235-P259 HydrophobicContact CZ-CG 3.9Å; P259-E261 VanDerWaalsContact C-N 3.34Å; P259-S308 WeakPolarHBondContact O-CB 3.41Å; P259-S308 PolarHBondContact O-OG 3.37Å
260	Q	79.9	Confident	92.9	Very high	153 Å²	153	51.2 Å²	51.2	72%	0.715	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-10.7	177.2	-50.8	-60.8	0.8	0	0	112.6	Q258	Q258-Q260 PolarHBondContact O-N 2.97Å
261	E	85.8	Confident	92.8	Very high	63 Å²	63	58 Å²	58	29%	0.294	29%	0.287	S	S	.	.	S	Bend	trans	-66.9	150.2	172.7	-68.7	168.8	-143.7	0	0	110.4	R257 Q258 P259 L263 A306	R257-E261 IonicContact NH1-OE2 3.38Å; Q258-E261 HydrophobicContact CB-CG 4.14Å; Q258-E261 WeakPolarHBondContact CB-OE1 3.39Å; Q258-E261 PolarHBondContact N-OE1 3.38Å; Q258-E261 VanDerWaalsContact O-CB 3.31Å; Q258-E261 WeakPolarHBondContact O-CB 3.46Å; Q258-E261 WeakPolarHBondContact O-CG 3.38Å; Q258-E261 PolarHBondContact O-N 3.28Å; P259-E261 VanDerWaalsContact C-N 3.34Å; E261-L263 HydrophobicContact CB-CB 4.43Å; E261-L263 PolarHBondContact O-N 3.47Å; E261-A306 VanDerWaalsContact O-CB 3.29Å; E261-A306 WeakPolarHBondContact O-CB 3.39Å
262	N	92.9	Very high	92.7	Very high	91 Å²	91	58.4 Å²	58.4	49%	0.487	29%	0.292	S	S	.	.			trans	-75.3	50.1	168.9	-66.9	-25.8	0	0	0	111.1	F264 R312 V339	N262-F264 PolarHBondContact O-N 3.06Å; N262-R312 VanDerWaalsContact CG-NH2 3.29Å; N262-R312 PolarHBondContact OD1-NH2 2.66Å; N262-V339 HydrophobicContact CB-CG1 3.98Å; N262-V339 HydrophobicContact CB-CG2 4.09Å
263	L	96.6	Very high	92.8	Very high	4 Å²	4	63.6 Å²	63.6	2%	0.021	31%	0.308	C	S	.	.			trans	-70.8	117.5	-177.2	-176	70.2	0	0	0	109.4	F235 F253 L254 R257 E261 V265 M305 A306 L309	F235-L263 HydrophobicContact CD1-CD2 4.07Å; F235-L263 HydrophobicContact CE1-CD2 3.83Å; F253-L263 HydrophobicContact CE1-CD1 4.37Å; F253-L263 HydrophobicContact CE1-CD2 4.48Å; F253-L263 HydrophobicContact CZ-CD1 4.4Å; L254-L263 HydrophobicContact CD2-CD2 3.91Å; R257-L263 HydrophobicContact CB-CD2 4.35Å; R257-L263 HydrophobicContact CG-CD2 4.29Å; E261-L263 HydrophobicContact CB-CB 4.43Å; E261-L263 PolarHBondContact O-N 3.47Å; L263-V265 HydrophobicContact CD1-CB 4.33Å; L263-V265 HydrophobicContact CD1-CG1 4.11Å; L263-V265 HydrophobicContact CG-CG1 4.38Å; L263-M305 CarbonylContact O-C 3.55Å; L263-M305 VanDerWaalsContact O-CA 3.22Å; L263-M305 WeakPolarHBondContact O-CA 3.21Å; L263-A306 HydrophobicContact CB-CB 4.03Å; L263-A306 PolarHBondContact O-N 2.8Å; L263-L309 WeakPolarHBondContact O-CD2 3.36Å
264	F	97.8	Very high	92.9	Very high	3 Å²	3	63.5 Å²	63.5	1%	0.013	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	108.7	164.9	-163.1	-76.2	0	0	0	107.1	N262 A298 F303 L304 M305 L309 L313 L330 L334 P341 M342	N262-F264 PolarHBondContact O-N 3.06Å; F264-A298 HydrophobicContact CD1-CB 4.5Å; F264-A298 HydrophobicContact CE1-CB 3.81Å; F264-F303 HydrophobicContact CE1-CB 4.26Å; F264-F303 HydrophobicContact CE1-CD1 4.5Å; F264-F303 HydrophobicContact CE1-CD2 4.06Å; F264-F303 HydrophobicContact CE1-CG 4.04Å; F264-F303 AromaticContact CE2-CD2 3.97Å; F264-F303 HydrophobicContact CE2-CD2 3.97Å; F264-F303 AromaticContact CE2-CE2 3.9Å; F264-F303 HydrophobicContact CE2-CE2 3.9Å; F264-F303 HydrophobicContact CZ-CD1 4.28Å; F264-F303 AromaticContact CZ-CD2 3.57Å; F264-F303 HydrophobicContact CZ-CD2 3.57Å; F264-F303 HydrophobicContact CZ-CE1 4.35Å; F264-F303 AromaticContact CZ-CE2 3.65Å; F264-F303 HydrophobicContact CZ-CE2 3.65Å; F264-F303 AromaticContact CZ-CG 3.91Å; F264-F303 HydrophobicContact CZ-CG 3.91Å; F264-F303 HydrophobicContact CZ-CZ 4.04Å; F264-L304 CarbonylContact C-O 3.59Å; F264-L304 WeakPolarHBondContact CA-O 3.31Å; F264-M305 HydrophobicContact CD2-CB 3.87Å; F264-M305 HydrophobicContact CE2-CB 4.31Å; F264-M305 HydrophobicContact CE2-SD 4.21Å; F264-L309 HydrophobicContact CB-CD2 3.68Å; F264-L309 HydrophobicContact CD2-CD2 3.95Å; F264-L309 HydrophobicContact CG-CD2 4.31Å; F264-L313 HydrophobicContact CD2-CD1 4.14Å; F264-L313 HydrophobicContact CE2-CD1 3.95Å; F264-L330 HydrophobicContact CZ-CD1 4.4Å; F264-L334 HydrophobicContact CB-CD2 4.36Å; F264-L334 HydrophobicContact CD1-CD1 3.86Å; F264-L334 HydrophobicContact CD2-CD1 4.09Å; F264-L334 HydrophobicContact CD2-CD2 3.98Å; F264-L334 HydrophobicContact CE1-CD1 3.95Å; F264-L334 HydrophobicContact CE2-CD1 4.19Å; F264-L334 HydrophobicContact CG-CD1 3.92Å; F264-L334 HydrophobicContact CG-CD2 4.18Å; F264-L334 HydrophobicContact CZ-CD1 4.12Å; F264-P341 HydrophobicContact CD1-CB 3.76Å; F264-P341 HydrophobicContact CE1-CB 4.46Å; F264-P341 CarbonylContact O-C 3.43Å; F264-P341 WeakPolarHBondContact O-CA 3.33Å; F264-M342 PolarHBondContact O-N 3.33Å
265	V	97.2	Very high	93	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	137	-168.7	63	0	0	0	0	111.8	F253 L263 F303 L304 M342 H344 F347	F253-V265 HydrophobicContact CE1-CG1 3.69Å; F253-V265 HydrophobicContact CZ-CB 4.43Å; F253-V265 HydrophobicContact CZ-CG1 3.9Å; F253-V265 HydrophobicContact CZ-CG2 4.12Å; L263-V265 HydrophobicContact CD1-CB 4.33Å; L263-V265 HydrophobicContact CD1-CG1 4.11Å; L263-V265 HydrophobicContact CG-CG1 4.38Å; V265-F303 CarbonylContact O-C 3.55Å; V265-F303 VanDerWaalsContact O-CA 3.23Å; V265-F303 WeakPolarHBondContact O-CA 3.46Å; V265-F303 VanDerWaalsContact O-CB 3.26Å; V265-F303 WeakPolarHBondContact O-CB 3.28Å; V265-L304 HydrophobicContact CG1-CB 3.59Å; V265-L304 HydrophobicContact CG1-CD1 4.26Å; V265-L304 PolarHBondContact N-O 3.42Å; V265-L304 PolarHBondContact O-N 3.41Å; V265-M342 VanDerWaalsContact CA-O 3.28Å; V265-M342 WeakPolarHBondContact CA-O 3.4Å; V265-M342 HydrophobicContact CB-CB 4.14Å; V265-M342 HydrophobicContact CG2-CB 4.13Å; V265-M342 HydrophobicContact CG2-CG 4.22Å; V265-M342 WeakPolarHBondContact CG2-O 3.41Å; V265-M342 HydrophobicContact CG2-SD 4.37Å; V265-H344 HydrophobicContact CG2-CB 3.45Å; V265-H344 VanDerWaalsContact CG2-CB 3.45Å; V265-F347 HydrophobicContact CG2-CE2 4.48Å
266	G	97.5	Very high	93.1	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176.3	-157.7	178.9	0	0	0	0	0	112.5	V268 M342 A343 H344	G266-V268 PolarHBondContact O-N 2.95Å; G266-M342 PolarHBondContact N-O 3.34Å; G266-M342 VanDerWaalsContact N-O 3.08Å; G266-A343 WeakPolarHBondContact O-CA 3.44Å; G266-H344 PolarHBondContact O-N 2.92Å
267	D	96.8	Very high	93.5	Very high	42 Å²	42	70.6 Å²	70.6	23%	0.225	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	93.3	170.8	-170.3	1.1	0	0	0	108.8	A298 G299 F347 T349	D267-A298 WeakPolarHBondContact O-CA 3.47Å; D267-G299 PolarHBondContact O-N 3.43Å; D267-F347 HydrophobicContact CB-CB 3.92Å; D267-T349 HydrophobicContact CB-CG2 3.58Å; D267-T349 WeakPolarHBondContact OD2-CB 3.45Å; D267-T349 PolarHBondContact OD2-N 2.97Å; D267-T349 VanDerWaalsContact OD2-N 3.07Å; D267-T349 PolarHBondContact OD2-OG1 3Å
268	V	97.4	Very high	93.7	Very high	18 Å²	18	73.2 Å²	73.2	11%	0.109	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	120.6	-170.4	177.1	0	0	0	0	111.7	G266 Q270 P296 Y297 A298 P341 M342 A343	G266-V268 PolarHBondContact O-N 2.95Å; V268-Q270 HydrophobicContact CG1-CG 4.24Å; V268-P296 HydrophobicContact CG1-CB 4.21Å; V268-Y297 CarbonylContact C-O 3.55Å; V268-Y297 WeakPolarHBondContact CA-O 3.41Å; V268-A298 HydrophobicContact CG2-CB 4.48Å; V268-P341 HydrophobicContact CG1-CB 4.48Å; V268-P341 HydrophobicContact CG1-CG 3.96Å; V268-P341 HydrophobicContact CG2-CB 3.85Å; V268-P341 HydrophobicContact CG2-CG 4.23Å; V268-M342 WeakPolarHBondContact CG2-O 3.31Å; V268-A343 HydrophobicContact CB-CB 4.03Å; V268-A343 HydrophobicContact CG2-CB 4.31Å
269	L	95.6	Very high	94	Very high	40 Å²	40	72.9 Å²	72.9	21%	0.209	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	111.7	173	-67.9	88.2	0	0	0	109.9	A272 Y297 F350	L269-A272 HydrophobicContact CB-CB 4.17Å; L269-Y297 HydrophobicContact CB-CE1 4.16Å; L269-Y297 HydrophobicContact CB-CE2 4.48Å; L269-Y297 HydrophobicContact CD1-CE2 4.02Å; L269-Y297 PolarHBondContact N-O 3.05Å; L269-F350 HydrophobicContact CD1-CE2 4.26Å; L269-F350 HydrophobicContact CD2-CE2 4.22Å; L269-F350 HydrophobicContact CD2-CZ 4.11Å
270	Q	95.1	Very high	94.6	Very high	130 Å²	130	72.6 Å²	72.6	61%	0.607	34%	0.335	S	S	*	.			trans	-92.8	142.5	172.8	-61.2	-168.6	54.7	0	0	110.9	V268 A272	V268-Q270 HydrophobicContact CG1-CG 4.24Å; Q270-A272 PolarHBondContact O-N 2.88Å
271	H	93.6	Very high	95.3	Very high	144 Å²	144	71.7 Å²	71.7	67%	0.667	33%	0.328	S	S	*	.	S	Bend	trans	53.8	25.1	177.1	-50.5	-63.9	0	0	0	114.8	R273	H271-R273 PolarHBondContact O-N 2.85Å
272	A	95.6	Very high	95.7	Very high	18 Å²	18	73.8 Å²	73.8	15%	0.149	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-58.6	133.9	176.3	0	0	0	0	0	110	L269 Q270 S293 Y294 Y297	L269-A272 HydrophobicContact CB-CB 4.17Å; Q270-A272 PolarHBondContact O-N 2.88Å; A272-S293 CarbonylContact O-C 3.57Å; A272-S293 VanDerWaalsContact O-CA 3.31Å; A272-S293 WeakPolarHBondContact O-CA 3.31Å; A272-Y294 HydrophobicContact CB-CD2 4.28Å; A272-Y294 PolarHBondContact O-N 3.47Å; A272-Y297 HydrophobicContact CB-CE1 3.74Å
273	R	96.8	Very high	95.9	Very high	192 Å²	192	70.8 Å²	70.8	73%	0.725	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-100.2	142.1	179.6	-59.8	-168.7	176.3	179.1	-2.6	110.4	H271 I275 A292	H271-R273 PolarHBondContact O-N 2.85Å; R273-I275 PolarHBondContact O-N 3.43Å; R273-A292 WeakPolarHBondContact CG-O 3.31Å
274	P	97	Very high	95.9	Very high	9 Å²	9	70.6 Å²	70.6	6%	0.058	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-55.7	128.1	170.4	-18.2	26.4	0	0	0	110.6	R276 I284 Y289 A292 Y294	P274-R276 PolarHBondContact O-N 2.9Å; P274-I284 HydrophobicContact CB-CB 4.31Å; P274-Y289 HydrophobicContact CG-CD1 3.48Å; P274-Y289 VanDerWaalsContact CG-CD1 3.48Å; P274-Y289 HydrophobicContact CG-CE1 3.93Å; P274-Y289 HydrophobicContact CG-CG 4.4Å; P274-A292 WeakPolarHBondContact CD-O 3.48Å; P274-Y294 HydrophobicContact CB-CE1 4.24Å; P274-Y294 HydrophobicContact CB-CE2 4.24Å; P274-Y294 WeakPolarHBondContact CB-OH 3.43Å; P274-Y294 HydrophobicContact CG-CD1 4.33Å; P274-Y294 HydrophobicContact CG-CE1 3.7Å; P274-Y294 HydrophobicContact CG-CE2 4.17Å
275	I	96.8	Very high	95.8	Very high	61 Å²	61	70.8 Å²	70.8	31%	0.313	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-72.9	124.7	179	-58.2	-175.3	0	0	0	108.5	R273 R277 N280 Y283 I284	R273-I275 PolarHBondContact O-N 3.43Å; I275-R277 HydrophobicContact CG2-CB 4.19Å; I275-N280 HydrophobicContact CG2-CB 3.69Å; I275-Y283 CarbonylContact O-C 3.57Å; I275-Y283 WeakPolarHBondContact O-CA 3.36Å; I275-Y283 WeakPolarHBondContact O-CD2 3.46Å; I275-I284 PolarHBondContact O-N 3.45Å
276	R	95.6	Very high	95.7	Very high	107 Å²	107	72.9 Å²	72.9	40%	0.404	34%	0.338	S	S	.	.			trans	-100.3	0.9	-178.2	-54.3	-53.1	-173.6	179.2	3.8	114.1	P274 Y283 I284 P285 Y289	P274-R276 PolarHBondContact O-N 2.9Å; R276-Y283 VanDerWaalsContact C-CD2 3.49Å; R276-Y283 WeakPolarHBondContact O-CE2 3.38Å; R276-I284 WeakPolarHBondContact CD-O 3.48Å; R276-I284 PolarHBondContact NH1-O 3.48Å; R276-P285 VanDerWaalsContact NH1-C 3.3Å; R276-P285 PolarHBondContact NH1-O 2.93Å; R276-Y289 PolarHBondContact NH1-O 3.33Å; R276-Y289 VanDerWaalsContact NH1-O 3.13Å; R276-Y289 PolarHBondContact NH2-O 2.89Å
277	R	96.3	Very high	95.4	Very high	152 Å²	152	75.1 Å²	75.1	57%	0.574	36%	0.357	S	S	*	.			trans	-86.8	116.3	178.7	-150	-178.3	56.8	-152.5	-0.3	109.7	I275 D279 N280 Y283	I275-R277 HydrophobicContact CG2-CB 4.19Å; R277-D279 VanDerWaalsContact C-N 3.27Å; R277-D279 WeakPolarHBondContact CB-OD1 3.47Å; R277-D279 VanDerWaalsContact CD-OD1 3.26Å; R277-D279 WeakPolarHBondContact CD-OD1 3.26Å; R277-D279 WeakPolarHBondContact CG-OD1 3.42Å; R277-D279 IonicContact CZ-OD1 3.59Å; R277-D279 IonicContact CZ-OD2 3.86Å; R277-D279 IonicContact NE-OD1 3.69Å; R277-D279 PolarHBondContact NE-OD1 3.42Å; R277-D279 IonicContact NE-OD2 3.48Å; R277-D279 PolarHBondContact NE-OD2 3.45Å; R277-D279 IonicContact NH2-OD1 3.48Å; R277-D279 IonicContact NH2-OD2 2.78Å; R277-D279 PolarHBondContact O-N 3.39Å; R277-N280 VanDerWaalsContact O-CB 3.31Å; R277-N280 WeakPolarHBondContact O-CB 3.3Å; R277-N280 PolarHBondContact O-N 2.92Å; R277-N280 VanDerWaalsContact O-N 3.1Å; R277-Y283 WeakPolarHBondContact O-CB 3.49Å
278	K	94	Very high	95.2	Very high	136 Å²	136	73.3 Å²	73.3	59%	0.591	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-24.8	-170.8	-67.3	-172.8	173.3	-137.7	0	115.3	E105 N280 Y283	E105-K278 WeakPolarHBondContact OE1-CD 3.36Å; E105-K278 VanDerWaalsContact OE1-CE 3.27Å; E105-K278 WeakPolarHBondContact OE1-CE 3.39Å; E105-K278 IonicContact OE1-NZ 2.72Å; E105-K278 PolarHBondContact OE1-NZ 2.94Å; K278-N280 PolarHBondContact O-N 3.46Å; K278-Y283 HydrophobicContact CG-CD1 4.47Å; K278-Y283 HydrophobicContact CG-CD2 4.34Å; K278-Y283 HydrophobicContact CG-CE1 4.04Å; K278-Y283 HydrophobicContact CG-CE2 3.88Å
279	D	93.7	Very high	95	Very high	121 Å²	121	72.6 Å²	72.6	65%	0.647	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-9.1	177.3	69.4	-27.3	0	0	0	113	R277	R277-D279 VanDerWaalsContact C-N 3.27Å; R277-D279 WeakPolarHBondContact CB-OD1 3.47Å; R277-D279 VanDerWaalsContact CD-OD1 3.26Å; R277-D279 WeakPolarHBondContact CD-OD1 3.26Å; R277-D279 WeakPolarHBondContact CG-OD1 3.42Å; R277-D279 IonicContact CZ-OD1 3.59Å; R277-D279 IonicContact CZ-OD2 3.86Å; R277-D279 IonicContact NE-OD1 3.69Å; R277-D279 PolarHBondContact NE-OD1 3.42Å; R277-D279 IonicContact NE-OD2 3.48Å; R277-D279 PolarHBondContact NE-OD2 3.45Å; R277-D279 IonicContact NH2-OD1 3.48Å; R277-D279 IonicContact NH2-OD2 2.78Å; R277-D279 PolarHBondContact O-N 3.39Å
280	N	95.6	Very high	94.9	Very high	41 Å²	41	73.9 Å²	73.9	22%	0.219	36%	0.355	C	S	.	.	S	Bend	trans	-86.5	134.3	-179.1	-165.2	-61.6	0	0	0	110.7	I275 R277 K278 Y282 Y283	I275-N280 HydrophobicContact CG2-CB 3.69Å; R277-N280 VanDerWaalsContact O-CB 3.31Å; R277-N280 WeakPolarHBondContact O-CB 3.3Å; R277-N280 PolarHBondContact O-N 2.92Å; R277-N280 VanDerWaalsContact O-N 3.1Å; K278-N280 PolarHBondContact O-N 3.46Å; N280-Y282 PolarHBondContact O-N 2.93Å; N280-Y282 VanDerWaalsContact O-N 3.09Å; N280-Y282 PolarHBondContact OD1-N 3.39Å; N280-Y283 WeakPolarHBondContact O-CB 3.28Å; N280-Y283 PolarHBondContact O-N 3.35Å
281	K	93.3	Very high	94.8	Very high	133 Å²	133	71.6 Å²	71.6	58%	0.578	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-35.2	174.6	179.1	-177.5	175.1	-170.1	0	113.3	F212	F212-K281 HydrophobicContact CE1-CG 4.49Å
282	Y	95.1	Very high	94.9	Very high	107 Å²	107	68.3 Å²	68.3	42%	0.42	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	20.7	-178.6	-53.2	-83.7	0	0	0	112.8	F212 N280 I284	F212-Y282 HydrophobicContact CE1-CD1 4.38Å; F212-Y282 HydrophobicContact CE2-CD1 4.45Å; F212-Y282 AromaticContact CE2-CE1 3.96Å; F212-Y282 HydrophobicContact CE2-CE1 3.96Å; F212-Y282 AromaticContact CZ-CD1 3.61Å; F212-Y282 HydrophobicContact CZ-CD1 3.61Å; F212-Y282 AromaticContact CZ-CE1 3.56Å; F212-Y282 HydrophobicContact CZ-CE1 3.56Å; N280-Y282 PolarHBondContact O-N 2.93Å; N280-Y282 VanDerWaalsContact O-N 3.09Å; N280-Y282 PolarHBondContact OD1-N 3.39Å; Y282-I284 PolarHBondContact O-N 2.94Å
283	Y	96.9	Very high	94.9	Very high	28 Å²	28	69.7 Å²	69.7	11%	0.11	35%	0.349	C	S	.	.	B	Isolated β-bridge	trans	-54.8	137.1	172.5	169.3	-115.7	0	0	0	110.7	F108 I275 R276 R277 K278 N280 P285	F108-Y283 AromaticContact CE2-CD1 3.59Å; F108-Y283 HydrophobicContact CE2-CD1 3.59Å; F108-Y283 AromaticContact CE2-CE1 3.66Å; F108-Y283 HydrophobicContact CE2-CE1 3.66Å; F108-Y283 AromaticContact CZ-CD1 3.77Å; F108-Y283 HydrophobicContact CZ-CD1 3.77Å; F108-Y283 HydrophobicContact CZ-CE1 4.12Å; F108-Y283 VanDerWaalsContact CZ-O 3.31Å; F108-Y283 WeakPolarHBondContact CZ-O 3.38Å; I275-Y283 CarbonylContact O-C 3.57Å; I275-Y283 WeakPolarHBondContact O-CA 3.36Å; I275-Y283 WeakPolarHBondContact O-CD2 3.46Å; R276-Y283 VanDerWaalsContact C-CD2 3.49Å; R276-Y283 WeakPolarHBondContact O-CE2 3.38Å; R277-Y283 WeakPolarHBondContact O-CB 3.49Å; K278-Y283 HydrophobicContact CG-CD1 4.47Å; K278-Y283 HydrophobicContact CG-CD2 4.34Å; K278-Y283 HydrophobicContact CG-CE1 4.04Å; K278-Y283 HydrophobicContact CG-CE2 3.88Å; N280-Y283 WeakPolarHBondContact O-CB 3.28Å; N280-Y283 PolarHBondContact O-N 3.35Å; Y283-P285 HydrophobicContact CE1-CB 4.43Å
284	I	97.4	Very high	95	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.317	C	S	.	.			trans	-134.1	125.1	171.9	-64.9	-65.6	0	0	0	109.3	F108 P274 I275 R276 Y282 L288 Y294 Y323 P324 I325	F108-I284 HydrophobicContact CE1-CD1 4.1Å; P274-I284 HydrophobicContact CB-CB 4.31Å; I275-I284 PolarHBondContact O-N 3.45Å; R276-I284 WeakPolarHBondContact CD-O 3.48Å; R276-I284 PolarHBondContact NH1-O 3.48Å; Y282-I284 PolarHBondContact O-N 2.94Å; I284-L288 HydrophobicContact CD1-CD2 4.31Å; I284-L288 HydrophobicContact CG2-CB 4.25Å; I284-L288 HydrophobicContact CG2-CD2 4.33Å; I284-Y294 WeakPolarHBondContact CG1-OH 3.27Å; I284-Y323 WeakPolarHBondContact CG2-OH 3.31Å; I284-P324 HydrophobicContact CD1-CG 3.6Å; I284-I325 HydrophobicContact CD1-CD1 3.89Å; I284-I325 HydrophobicContact CD1-CG1 4.22Å; I284-I325 HydrophobicContact CG1-CD1 3.8Å
285	P	95.3	Very high	95	Very high	6 Å²	6	61.1 Å²	61.1	4%	0.039	32%	0.317	C	S	.	.			trans	-68.4	147.2	176.9	27.5	-33.2	0	0	0	111.4	L104 F108 R276 Y283 A287 L288 Y289	L104-P285 HydrophobicContact CD2-CB 3.76Å; L104-P285 HydrophobicContact CD2-CG 3.79Å; F108-P285 HydrophobicContact CD1-CG 4.12Å; F108-P285 HydrophobicContact CD2-CG 4.32Å; F108-P285 VanDerWaalsContact CE1-CD 3.45Å; F108-P285 HydrophobicContact CE1-CG 4.2Å; F108-P285 HydrophobicContact CE2-CG 4.43Å; F108-P285 HydrophobicContact CG-CG 4.19Å; F108-P285 VanDerWaalsContact CZ-CD 3.49Å; F108-P285 HydrophobicContact CZ-CG 4.37Å; R276-P285 VanDerWaalsContact NH1-C 3.3Å; R276-P285 PolarHBondContact NH1-O 2.93Å; Y283-P285 HydrophobicContact CE1-CB 4.43Å; P285-A287 PolarHBondContact O-N 3.5Å; P285-L288 HydrophobicContact CG-CB 3.88Å; P285-L288 PolarHBondContact O-N 3Å; P285-Y289 PolarHBondContact O-N 3.35Å
286	G	94.4	Very high	95.1	Very high	44 Å²	44	60.7 Å²	60.7	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.1	177.7	0	0	0	0	0	113.4	L288 Y289	G286-L288 VanDerWaalsContact C-N 3.25Å; G286-L288 PolarHBondContact O-N 3.35Å; G286-Y289 CarbonylContact O-C 3.58Å; G286-Y289 VanDerWaalsContact O-C 3.28Å; G286-Y289 PolarHBondContact O-N 3.04Å
287	A	91.1	Very high	95.2	Very high	47 Å²	47	57 Å²	57	39%	0.388	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-26.9	176	0	0	0	0	0	113.6	W100 P285	W100-A287 HydrophobicContact CE3-CB 3.89Å; P285-A287 PolarHBondContact O-N 3.5Å
288	L	91.9	Very high	95.2	Very high	4 Å²	4	49.9 Å²	49.9	2%	0.021	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-29.8	179.6	-170.4	69.1	0	0	0	112.4	F61 F108 L112 I284 P285 G286 Y323 P324	F61-L288 WeakPolarHBondContact CE1-O 3.44Å; F61-L288 HydrophobicContact CZ-CD1 4.16Å; F108-L288 HydrophobicContact CD1-CD2 4Å; F108-L288 HydrophobicContact CE1-CD2 4.2Å; L112-L288 HydrophobicContact CD1-CD1 4.42Å; L112-L288 HydrophobicContact CD2-CD1 3.64Å; L112-L288 HydrophobicContact CG-CD1 4.22Å; I284-L288 HydrophobicContact CD1-CD2 4.31Å; I284-L288 HydrophobicContact CG2-CB 4.25Å; I284-L288 HydrophobicContact CG2-CD2 4.33Å; P285-L288 HydrophobicContact CG-CB 3.88Å; P285-L288 PolarHBondContact O-N 3Å; G286-L288 VanDerWaalsContact C-N 3.25Å; G286-L288 PolarHBondContact O-N 3.35Å; L288-Y323 HydrophobicContact CG-CE2 4.43Å; L288-P324 HydrophobicContact CD2-CG 3.66Å
289	Y	94.3	Very high	95	Very high	4 Å²	4	43.6 Å²	43.6	2%	0.016	25%	0.252	C	S	.	.			trans	-148.6	110.3	177.5	-163.8	-89.5	0	0	0	109.4	W62 P274 R276 P285 G286 K291 S293 Y294 Y323 M332	W62-Y289 AromaticContact CH2-CD2 3.63Å; W62-Y289 HydrophobicContact CH2-CD2 3.63Å; W62-Y289 AromaticContact CH2-CE2 3.8Å; W62-Y289 HydrophobicContact CH2-CE2 3.8Å; W62-Y289 AromaticContact CZ2-CD2 3.28Å; W62-Y289 HydrophobicContact CZ2-CD2 3.28Å; W62-Y289 AromaticContact CZ2-CE2 3.75Å; W62-Y289 HydrophobicContact CZ2-CE2 3.75Å; W62-Y289 HydrophobicContact CZ2-CG 4.1Å; P274-Y289 HydrophobicContact CG-CD1 3.48Å; P274-Y289 VanDerWaalsContact CG-CD1 3.48Å; P274-Y289 HydrophobicContact CG-CE1 3.93Å; P274-Y289 HydrophobicContact CG-CG 4.4Å; R276-Y289 PolarHBondContact NH1-O 3.33Å; R276-Y289 VanDerWaalsContact NH1-O 3.13Å; R276-Y289 PolarHBondContact NH2-O 2.89Å; P285-Y289 PolarHBondContact O-N 3.35Å; G286-Y289 CarbonylContact O-C 3.58Å; G286-Y289 VanDerWaalsContact O-C 3.28Å; G286-Y289 PolarHBondContact O-N 3.04Å; Y289-K291 HydrophobicContact CD1-CB 4.22Å; Y289-K291 HydrophobicContact CE1-CB 3.53Å; Y289-K291 HydrophobicContact CE1-CG 4.33Å; Y289-S293 PolarHBondContact OH-O 3.25Å; Y289-Y294 HydrophobicContact CD1-CD1 4.15Å; Y289-Y294 AromaticContact CD1-CE1 3.76Å; Y289-Y294 HydrophobicContact CD1-CE1 3.76Å; Y289-Y294 HydrophobicContact CD2-CD1 4.44Å; Y289-Y294 HydrophobicContact CD2-CE1 4.06Å; Y289-Y294 AromaticContact CE1-CD1 3.59Å; Y289-Y294 HydrophobicContact CE1-CD1 3.59Å; Y289-Y294 AromaticContact CE1-CE1 3.7Å; Y289-Y294 HydrophobicContact CE1-CE1 3.7Å; Y289-Y294 HydrophobicContact CE2-CD1 4Å; Y289-Y294 HydrophobicContact CE2-CE1 4.08Å; Y289-Y294 AromaticContact CG-CE1 3.91Å; Y289-Y294 HydrophobicContact CG-CE1 3.91Å; Y289-Y294 AromaticContact CZ-CD1 3.54Å; Y289-Y294 AromaticContact CZ-CE1 3.9Å; Y289-Y323 AromaticContact CD2-CE2 3.82Å; Y289-Y323 HydrophobicContact CD2-CE2 3.82Å; Y289-Y323 HydrophobicContact CG-CE2 4.35Å; Y289-M332 HydrophobicContact CD2-CE 3.97Å; Y289-M332 HydrophobicContact CE2-CE 3.55Å
290	S	92.8	Very high	94.3	Very high	67 Å²	67	38.5 Å²	38.5	47%	0.469	23%	0.227	S	C	.	.			trans	-93.7	-20.9	-173.7	55.9	0	0	0	0	113.5	W62	W62-S290 PolarHBondContact NE1-OG 3.11Å
291	K	94.2	Very high	93.9	Very high	81 Å²	81	36.7 Å²	36.7	35%	0.352	22%	0.219	S	C	.	.	S	Bend	trans	-65.6	153.1	179	-53.1	179.8	-178.8	178	0	111	Y289	Y289-K291 HydrophobicContact CD1-CB 4.22Å; Y289-K291 HydrophobicContact CE1-CB 3.53Å; Y289-K291 HydrophobicContact CE1-CG 4.33Å
292	A	94.8	Very high	94	Very high	75 Å²	75	30.4 Å²	30.4	62%	0.62	19%	0.191	S	C	*	.	S	Bend	trans	-71.8	-31	-176.7	0	0	0	0	0	113.4	R273 P274	R273-A292 WeakPolarHBondContact CG-O 3.31Å; P274-A292 WeakPolarHBondContact CD-O 3.48Å
293	S	96.9	Very high	94.1	Very high	47 Å²	47	25.4 Å²	25.4	33%	0.329	17%	0.172	S	C	.	.	S	Bend	trans	-140.9	151.3	-177.6	56	0	0	0	0	111.4	A272 Y289	A272-S293 CarbonylContact O-C 3.57Å; A272-S293 VanDerWaalsContact O-CA 3.31Å; A272-S293 WeakPolarHBondContact O-CA 3.31Å; Y289-S293 PolarHBondContact OH-O 3.25Å
294	Y	97.9	Very high	94.2	Very high	13 Å²	13	24.1 Å²	24.1	5%	0.051	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-74.7	156.9	168.9	-63.7	-47.5	0	0	0	111.9	A272 P274 I284 Y289 Y297 Y323 V328	A272-Y294 HydrophobicContact CB-CD2 4.28Å; A272-Y294 PolarHBondContact O-N 3.47Å; P274-Y294 HydrophobicContact CB-CE1 4.24Å; P274-Y294 HydrophobicContact CB-CE2 4.24Å; P274-Y294 WeakPolarHBondContact CB-OH 3.43Å; P274-Y294 HydrophobicContact CG-CD1 4.33Å; P274-Y294 HydrophobicContact CG-CE1 3.7Å; P274-Y294 HydrophobicContact CG-CE2 4.17Å; I284-Y294 WeakPolarHBondContact CG1-OH 3.27Å; Y289-Y294 HydrophobicContact CD1-CD1 4.15Å; Y289-Y294 AromaticContact CD1-CE1 3.76Å; Y289-Y294 HydrophobicContact CD1-CE1 3.76Å; Y289-Y294 HydrophobicContact CD2-CD1 4.44Å; Y289-Y294 HydrophobicContact CD2-CE1 4.06Å; Y289-Y294 AromaticContact CE1-CD1 3.59Å; Y289-Y294 HydrophobicContact CE1-CD1 3.59Å; Y289-Y294 AromaticContact CE1-CE1 3.7Å; Y289-Y294 HydrophobicContact CE1-CE1 3.7Å; Y289-Y294 HydrophobicContact CE2-CD1 4Å; Y289-Y294 HydrophobicContact CE2-CE1 4.08Å; Y289-Y294 AromaticContact CG-CE1 3.91Å; Y289-Y294 HydrophobicContact CG-CE1 3.91Å; Y289-Y294 AromaticContact CZ-CD1 3.54Å; Y289-Y294 AromaticContact CZ-CE1 3.9Å; Y294-Y297 HydrophobicContact CD2-CE1 4.09Å; Y294-Y323 HydrophobicContact CE1-CE1 4.1Å; Y294-Y323 AromaticContact CE1-CZ 3.85Å; Y294-Y323 WeakPolarHBondContact CE1-OH 3.25Å; Y294-Y323 PolarHBondContact OH-OH 2.96Å; Y294-V328 HydrophobicContact CD1-CG1 3.46Å; Y294-V328 VanDerWaalsContact CD1-CG1 3.46Å; Y294-V328 HydrophobicContact CD2-CG1 4.1Å; Y294-V328 HydrophobicContact CD2-CG2 3.98Å; Y294-V328 HydrophobicContact CE1-CG1 3.78Å; Y294-V328 HydrophobicContact CE2-CG1 4.36Å; Y294-V328 HydrophobicContact CE2-CG2 4.02Å; Y294-V328 HydrophobicContact CG-CG1 3.64Å; Y294-V328 HydrophobicContact CG-CG2 4.33Å
295	P	97.4	Very high	94.2	Very high	8 Å²	8	24 Å²	24	5%	0.052	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-60	158.1	161.9	28.3	-34.8	0	0	0	110.3	Y297 M332 E335	P295-Y297 WeakPolarHBondContact O-CD1 3.39Å; P295-Y297 PolarHBondContact O-N 3.07Å; P295-M332 HydrophobicContact CG-CB 4.47Å; P295-M332 HydrophobicContact CG-CG 3.9Å; P295-E335 HydrophobicContact CB-CB 4.14Å
296	P	97.8	Very high	94.3	Very high	52 Å²	52	23.8 Å²	23.8	34%	0.338	17%	0.165	S	C	.	.	P	Polyproline II helix	trans	-56.5	135.2	174.1	-23.7	34.3	0	0	0	111.8	V268 P341	V268-P296 HydrophobicContact CG1-CB 4.21Å; P296-P341 HydrophobicContact CB-CG 3.95Å
297	Y	97.8	Very high	94.4	Very high	30 Å²	30	21.7 Å²	21.7	12%	0.118	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	154.5	178.5	69.4	-88.1	0	0	0	111.4	V268 L269 A272 Y294 P295 D327 V328	V268-Y297 CarbonylContact C-O 3.55Å; V268-Y297 WeakPolarHBondContact CA-O 3.41Å; L269-Y297 HydrophobicContact CB-CE1 4.16Å; L269-Y297 HydrophobicContact CB-CE2 4.48Å; L269-Y297 HydrophobicContact CD1-CE2 4.02Å; L269-Y297 PolarHBondContact N-O 3.05Å; A272-Y297 HydrophobicContact CB-CE1 3.74Å; Y294-Y297 HydrophobicContact CD2-CE1 4.09Å; P295-Y297 WeakPolarHBondContact O-CD1 3.39Å; P295-Y297 PolarHBondContact O-N 3.07Å; Y297-D327 WeakPolarHBondContact CB-O 3.39Å; Y297-D327 HydrophobicContact CD2-CB 3.71Å; Y297-D327 HydrophobicContact CE2-CB 4.05Å; Y297-V328 HydrophobicContact CD1-CG2 4.13Å; Y297-V328 HydrophobicContact CD2-CG2 4.39Å; Y297-V328 HydrophobicContact CE1-CG2 3.8Å; Y297-V328 HydrophobicContact CE2-CG2 4.09Å; Y297-V328 HydrophobicContact CG-CG2 4.41Å
298	A	96.7	Very high	94.7	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.025	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	136	172.8	0	0	0	0	0	110.7	F264 D267 V268 F303 D327	F264-A298 HydrophobicContact CD1-CB 4.5Å; F264-A298 HydrophobicContact CE1-CB 3.81Å; D267-A298 WeakPolarHBondContact O-CA 3.47Å; V268-A298 HydrophobicContact CG2-CB 4.48Å; A298-F303 HydrophobicContact CB-CB 4.05Å; A298-F303 HydrophobicContact CB-CD1 4.32Å; A298-F303 HydrophobicContact CB-CG 4.48Å; A298-D327 WeakPolarHBondContact O-CB 3.49Å
299	G	89.6	Confident	94.9	Very high	4 Å²	4	20.2 Å²	20.2	4%	0.041	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	156.9	-179.8	0	0	0	0	0	114.7	D267 G301 G302	D267-G299 PolarHBondContact O-N 3.43Å; G299-G301 VanDerWaalsContact C-N 3.29Å; G299-G301 PolarHBondContact O-N 2.81Å; G299-G301 VanDerWaalsContact O-N 3.09Å; G299-G302 PolarHBondContact O-N 3.36Å
300	G	79.8	Confident	95.1	Very high	13 Å²	13	20 Å²	20	13%	0.134	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	-13.1	-165	0	0	0	0	0	118.7	D240 G302 D327	D240-G300 VanDerWaalsContact OD2-O 3.08Å; G300-G302 PolarHBondContact O-N 3.47Å; G300-D327 VanDerWaalsContact CA-CG 3.48Å; G300-D327 WeakPolarHBondContact CA-OD1 3.38Å; G300-D327 WeakPolarHBondContact CA-OD2 3.38Å; G300-D327 PolarHBondContact N-OD2 3.26Å
301	G	86.6	Confident	95.2	Very high	4 Å²	4	19.4 Å²	19.4	4%	0.041	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	-28.1	177.6	0	0	0	0	0	113.1	V243 G299	V243-G301 WeakPolarHBondContact CG1-O 3.25Å; G299-G301 VanDerWaalsContact C-N 3.29Å; G299-G301 PolarHBondContact O-N 2.81Å; G299-G301 VanDerWaalsContact O-N 3.09Å
302	G	95.3	Very high	95.4	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	153.6	163.5	165.2	0	0	0	0	0	114.3	K238 G299 G300 F347	K238-G302 CarbonylContact O-C 3.32Å; K238-G302 WeakPolarHBondContact O-CA 3.43Å; G299-G302 PolarHBondContact O-N 3.36Å; G300-G302 PolarHBondContact O-N 3.47Å; G302-F347 WeakPolarHBondContact O-CD1 3.46Å
303	F	97.9	Very high	95.5	Very high	2 Å²	2	15.8 Å²	15.8	1%	0.009	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	158.3	-179.9	51.7	-98	0	0	0	110.9	K238 F264 V265 A298 M305 L330	K238-F303 HydrophobicContact CB-CD2 4.31Å; K238-F303 HydrophobicContact CB-CE2 3.79Å; K238-F303 HydrophobicContact CB-CZ 3.94Å; K238-F303 HydrophobicContact CD-CE2 4.38Å; K238-F303 HydrophobicContact CD-CZ 3.91Å; K238-F303 HydrophobicContact CG-CE2 4.37Å; K238-F303 HydrophobicContact CG-CZ 4.02Å; K238-F303 PolarHBondContact N-O 3.04Å; K238-F303 PolarHBondContact O-N 3.37Å; F264-F303 HydrophobicContact CE1-CB 4.26Å; F264-F303 HydrophobicContact CE1-CD1 4.5Å; F264-F303 HydrophobicContact CE1-CD2 4.06Å; F264-F303 HydrophobicContact CE1-CG 4.04Å; F264-F303 AromaticContact CE2-CD2 3.97Å; F264-F303 HydrophobicContact CE2-CD2 3.97Å; F264-F303 AromaticContact CE2-CE2 3.9Å; F264-F303 HydrophobicContact CE2-CE2 3.9Å; F264-F303 HydrophobicContact CZ-CD1 4.28Å; F264-F303 AromaticContact CZ-CD2 3.57Å; F264-F303 HydrophobicContact CZ-CD2 3.57Å; F264-F303 HydrophobicContact CZ-CE1 4.35Å; F264-F303 AromaticContact CZ-CE2 3.65Å; F264-F303 HydrophobicContact CZ-CE2 3.65Å; F264-F303 AromaticContact CZ-CG 3.91Å; F264-F303 HydrophobicContact CZ-CG 3.91Å; F264-F303 HydrophobicContact CZ-CZ 4.04Å; V265-F303 CarbonylContact O-C 3.55Å; V265-F303 VanDerWaalsContact O-CA 3.23Å; V265-F303 WeakPolarHBondContact O-CA 3.46Å; V265-F303 VanDerWaalsContact O-CB 3.26Å; V265-F303 WeakPolarHBondContact O-CB 3.28Å; A298-F303 HydrophobicContact CB-CB 4.05Å; A298-F303 HydrophobicContact CB-CD1 4.32Å; A298-F303 HydrophobicContact CB-CG 4.48Å; F303-M305 HydrophobicContact CE2-SD 4.04Å; F303-L330 HydrophobicContact CE1-CD1 4.02Å; F303-L330 HydrophobicContact CE2-CD1 4.31Å; F303-L330 HydrophobicContact CZ-CD1 3.48Å; F303-L330 VanDerWaalsContact CZ-CD1 3.48Å
304	L	97.8	Very high	95.5	Very high	1 Å²	1	14.3 Å²	14.3	1%	0.005	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	143	168.5	-76	166.8	0	0	0	109.5	L136 I236 F237 L250 F253 L254 F264 V265 F347	L136-L304 HydrophobicContact CD1-CD2 4.31Å; I236-L304 CarbonylContact O-C 3.5Å; I236-L304 WeakPolarHBondContact O-CA 3.44Å; F237-L304 HydrophobicContact CB-CD2 3.74Å; F237-L304 HydrophobicContact CD2-CD2 4.08Å; F237-L304 HydrophobicContact CD2-CG 4.26Å; F237-L304 HydrophobicContact CG-CD2 4.42Å; L250-L304 HydrophobicContact CD2-CD1 3.84Å; L250-L304 HydrophobicContact CD2-CD2 4.42Å; L250-L304 HydrophobicContact CD2-CG 4.17Å; F253-L304 HydrophobicContact CD1-CD1 3.64Å; F253-L304 HydrophobicContact CE1-CD1 3.99Å; L254-L304 HydrophobicContact CD1-CD2 4.08Å; L254-L304 HydrophobicContact CD2-CD1 4.09Å; L254-L304 HydrophobicContact CD2-CD2 4.47Å; L254-L304 HydrophobicContact CG-CD1 4.2Å; F264-L304 CarbonylContact C-O 3.59Å; F264-L304 WeakPolarHBondContact CA-O 3.31Å; V265-L304 HydrophobicContact CG1-CB 3.59Å; V265-L304 HydrophobicContact CG1-CD1 4.26Å; V265-L304 PolarHBondContact N-O 3.42Å; V265-L304 PolarHBondContact O-N 3.41Å; L304-F347 HydrophobicContact CD1-CZ 4.21Å; L304-F347 HydrophobicContact CG-CZ 4.19Å
305	M	97.4	Very high	95.5	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	150	171.8	62.1	-175.6	179	0	0	112.2	F222 L223 I236 L263 F264 F303 A310 L313	F222-M305 HydrophobicContact CE1-CE 3.8Å; L223-M305 HydrophobicContact CD2-CE 4.02Å; I236-M305 HydrophobicContact CB-CE 3.84Å; I236-M305 HydrophobicContact CB-CG 3.95Å; I236-M305 HydrophobicContact CG1-CE 4.33Å; I236-M305 HydrophobicContact CG2-CE 3.7Å; I236-M305 PolarHBondContact N-O 3.35Å; I236-M305 PolarHBondContact O-N 3.19Å; L263-M305 CarbonylContact O-C 3.55Å; L263-M305 VanDerWaalsContact O-CA 3.22Å; L263-M305 WeakPolarHBondContact O-CA 3.21Å; F264-M305 HydrophobicContact CD2-CB 3.87Å; F264-M305 HydrophobicContact CE2-CB 4.31Å; F264-M305 HydrophobicContact CE2-SD 4.21Å; F303-M305 HydrophobicContact CE2-SD 4.04Å; M305-A310 HydrophobicContact CE-CB 3.71Å; M305-A310 HydrophobicContact CG-CB 4.38Å; M305-A310 HydrophobicContact SD-CB 3.85Å; M305-L313 HydrophobicContact SD-CD1 4.28Å
306	A	98	Very high	95.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	141.9	167.6	0	0	0	0	0	110.6	E261 L263 S308 L309 A310	E261-A306 VanDerWaalsContact O-CB 3.29Å; E261-A306 WeakPolarHBondContact O-CB 3.39Å; L263-A306 HydrophobicContact CB-CB 4.03Å; L263-A306 PolarHBondContact O-N 2.8Å; A306-S308 VanDerWaalsContact C-N 3.28Å; A306-S308 PolarHBondContact O-N 2.83Å; A306-L309 HydrophobicContact CB-CB 4.32Å; A306-L309 PolarHBondContact O-N 2.7Å; A306-L309 VanDerWaalsContact O-N 3.15Å; A306-A310 PolarHBondContact O-N 2.81Å
307	G	96.9	Very high	95.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-63.1	-34.8	177.4	0	0	0	0	0	113	P234 L309 A310 R311	P234-G307 PolarHBondContact O-N 2.68Å; G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 3.29Å; G307-A310 PolarHBondContact O-N 2.71Å; G307-R311 VanDerWaalsContact C-NH1 3.35Å; G307-R311 VanDerWaalsContact O-CZ 3.27Å; G307-R311 PolarHBondContact O-N 2.99Å; G307-R311 VanDerWaalsContact O-N 3.12Å; G307-R311 PolarHBondContact O-NH1 3.37Å; G307-R311 VanDerWaalsContact O-NH1 3.16Å
308	S	96.3	Very high	95.3	Very high	20 Å²	20	18.2 Å²	18.2	14%	0.14	9%	0.091	C	C	.	.	H	α-helix	trans	-59.9	-41.7	173.5	63.1	0	0	0	0	112	P259 A306 R311 R312	P259-S308 WeakPolarHBondContact O-CB 3.41Å; P259-S308 PolarHBondContact O-OG 3.37Å; A306-S308 VanDerWaalsContact C-N 3.28Å; A306-S308 PolarHBondContact O-N 2.83Å; S308-R311 VanDerWaalsContact CA-NH2 3.34Å; S308-R312 PolarHBondContact O-N 2.87Å
309	L	97.4	Very high	95.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-69.7	-41.3	175.4	177.2	61.8	0	0	0	111.7	L263 F264 A306 G307 R311 R312 L313 L334 L337 V339	L263-L309 WeakPolarHBondContact O-CD2 3.36Å; F264-L309 HydrophobicContact CB-CD2 3.68Å; F264-L309 HydrophobicContact CD2-CD2 3.95Å; F264-L309 HydrophobicContact CG-CD2 4.31Å; A306-L309 HydrophobicContact CB-CB 4.32Å; A306-L309 PolarHBondContact O-N 2.7Å; A306-L309 VanDerWaalsContact O-N 3.15Å; G307-L309 VanDerWaalsContact C-N 3.31Å; G307-L309 PolarHBondContact O-N 3.29Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 2.89Å; L309-R312 VanDerWaalsContact CD1-NH2 3.3Å; L309-R312 CarbonylContact O-C 3.28Å; L309-R312 PolarHBondContact O-N 3.21Å; L309-R312 VanDerWaalsContact O-N 3.11Å; L309-L313 HydrophobicContact CD1-CG 4.29Å; L309-L313 HydrophobicContact CG-CD1 4.1Å; L309-L313 HydrophobicContact CG-CG 4.29Å; L309-L313 WeakPolarHBondContact O-CG 3.44Å; L309-L313 PolarHBondContact O-N 3.02Å; L309-L334 HydrophobicContact CD1-CD2 4.34Å; L309-L334 HydrophobicContact CD2-CD2 4.12Å; L309-L337 HydrophobicContact CD1-CD1 3.94Å; L309-V339 HydrophobicContact CD1-CG1 4.39Å; L309-V339 HydrophobicContact CD1-CG2 4.02Å; L309-V339 HydrophobicContact CD2-CG1 4.18Å
310	A	97.4	Very high	95.7	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-58	-40.3	178.6	0	0	0	0	0	112.5	L223 L226 I236 M305 A306 G307 L313 H314	L223-A310 HydrophobicContact CD2-CB 4.1Å; L226-A310 HydrophobicContact CD2-CB 3.39Å; I236-A310 HydrophobicContact CD1-CB 4.08Å; M305-A310 HydrophobicContact CE-CB 3.71Å; M305-A310 HydrophobicContact CG-CB 4.38Å; M305-A310 HydrophobicContact SD-CB 3.85Å; A306-A310 PolarHBondContact O-N 2.81Å; G307-A310 PolarHBondContact O-N 2.71Å; A310-L313 WeakPolarHBondContact O-CB 3.44Å; A310-L313 PolarHBondContact O-N 2.73Å; A310-H314 PolarHBondContact O-N 3.27Å
311	R	95.7	Very high	96.4	Very high	54 Å²	54	27.8 Å²	27.8	20%	0.204	14%	0.137	C	C	.	.	H	α-helix	trans	-65.9	-40.6	173.7	-68.2	-177.3	-69.5	-85.5	6.7	112.8	D227 P231 G307 S308 L309 L313 H314 H315	D227-R311 HydrophobicContact CB-CG 4.27Å; D227-R311 WeakPolarHBondContact OD1-CB 3.3Å; D227-R311 WeakPolarHBondContact OD1-CD 3.29Å; D227-R311 VanDerWaalsContact OD1-CG 3.23Å; D227-R311 WeakPolarHBondContact OD1-CG 3.46Å; P231-R311 PolarHBondContact O-NH1 3.17Å; P231-R311 PolarHBondContact O-NH2 3.38Å; G307-R311 VanDerWaalsContact C-NH1 3.35Å; G307-R311 VanDerWaalsContact O-CZ 3.27Å; G307-R311 PolarHBondContact O-N 2.99Å; G307-R311 VanDerWaalsContact O-N 3.12Å; G307-R311 PolarHBondContact O-NH1 3.37Å; G307-R311 VanDerWaalsContact O-NH1 3.16Å; S308-R311 VanDerWaalsContact CA-NH2 3.34Å; L309-R311 VanDerWaalsContact C-N 3.29Å; L309-R311 PolarHBondContact O-N 2.89Å; R311-L313 VanDerWaalsContact C-N 3.31Å; R311-L313 PolarHBondContact O-N 3.2Å; R311-H314 WeakPolarHBondContact O-CB 3.47Å; R311-H314 PolarHBondContact O-N 3.15Å; R311-H315 PolarHBondContact O-CD2 2.85Å; R311-H315 PolarHBondContact O-N 3.42Å
312	R	97.1	Very high	96.9	Very high	80 Å²	80	28 Å²	28	30%	0.302	14%	0.137	S	C	.	.	H	α-helix	trans	-65.7	-34.9	172.6	-65.4	-169	-57.1	116.2	-1.8	112.3	N262 S308 L309 H314 H315 A316 L337	N262-R312 VanDerWaalsContact CG-NH2 3.29Å; N262-R312 PolarHBondContact OD1-NH2 2.66Å; S308-R312 PolarHBondContact O-N 2.87Å; L309-R312 VanDerWaalsContact CD1-NH2 3.3Å; L309-R312 CarbonylContact O-C 3.28Å; L309-R312 PolarHBondContact O-N 3.21Å; L309-R312 VanDerWaalsContact O-N 3.11Å; R312-H314 VanDerWaalsContact C-N 3.34Å; R312-H315 PolarHBondContact O-N 2.98Å; R312-A316 PolarHBondContact O-N 3.45Å; R312-L337 HydrophobicContact CB-CD1 3.93Å; R312-L337 HydrophobicContact CB-CD2 4.25Å
313	L	98	Very high	97	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-62.4	-41.2	174.3	-77.5	169	0	0	0	111.1	L223 F264 M305 L309 A310 R311 H315 A316 C317 L330 C333 L334 L337	L223-L313 HydrophobicContact CD1-CB 3.93Å; L223-L313 HydrophobicContact CD2-CB 4.49Å; F264-L313 HydrophobicContact CD2-CD1 4.14Å; F264-L313 HydrophobicContact CE2-CD1 3.95Å; M305-L313 HydrophobicContact SD-CD1 4.28Å; L309-L313 HydrophobicContact CD1-CG 4.29Å; L309-L313 HydrophobicContact CG-CD1 4.1Å; L309-L313 HydrophobicContact CG-CG 4.29Å; L309-L313 WeakPolarHBondContact O-CG 3.44Å; L309-L313 PolarHBondContact O-N 3.02Å; A310-L313 WeakPolarHBondContact O-CB 3.44Å; A310-L313 PolarHBondContact O-N 2.73Å; R311-L313 VanDerWaalsContact C-N 3.31Å; R311-L313 PolarHBondContact O-N 3.2Å; L313-H315 VanDerWaalsContact C-N 3.32Å; L313-H315 PolarHBondContact O-N 2.9Å; L313-A316 PolarHBondContact O-N 3.37Å; L313-A316 VanDerWaalsContact O-N 3.15Å; L313-C317 PolarHBondContact O-N 2.75Å; L313-C317 PolarHBondContact O-SG 3.28Å; L313-L330 HydrophobicContact CD1-CD2 4.49Å; L313-C333 HydrophobicContact CD2-CB 3.64Å; L313-L334 HydrophobicContact CD1-CD2 4.48Å; L313-L334 HydrophobicContact CD2-CD2 3.96Å; L313-L334 HydrophobicContact CD2-CG 4.1Å; L313-L337 HydrophobicContact CD2-CD1 3.82Å; L313-L337 HydrophobicContact CG-CD1 4.04Å
314	H	97.1	Very high	97	Very high	16 Å²	16	28.1 Å²	28.1	7%	0.074	14%	0.138	C	C	.	.	H	α-helix	trans	-49.8	-52.9	173.4	170.4	28.6	0	0	0	111.3	Y119 L223 D227 A310 R311 R312 C317 D318	Y119-H314 PolarHBondContact OH-CE1 2.98Å; L223-H314 HydrophobicContact CB-CB 3.95Å; D227-H314 IonicContact OD2-CD2 2.54Å; A310-H314 PolarHBondContact O-N 3.27Å; R311-H314 WeakPolarHBondContact O-CB 3.47Å; R311-H314 PolarHBondContact O-N 3.15Å; R312-H314 VanDerWaalsContact C-N 3.34Å; H314-C317 WeakPolarHBondContact O-CB 3.44Å; H314-C317 PolarHBondContact O-N 3.01Å; H314-D318 IonicContact CE1-OD2 2.67Å
315	H	96.7	Very high	97	Very high	108 Å²	108	28.6 Å²	28.6	50%	0.5	14%	0.14	S	C	.	.	H	α-helix	trans	-67.1	-37.8	-179.9	-58.6	-50.6	0	0	0	112.8	R311 R312 L313 C317 D318	R311-H315 PolarHBondContact O-CD2 2.85Å; R311-H315 PolarHBondContact O-N 3.42Å; R312-H315 PolarHBondContact O-N 2.98Å; L313-H315 VanDerWaalsContact C-N 3.32Å; L313-H315 PolarHBondContact O-N 2.9Å; H315-C317 VanDerWaalsContact C-N 3.31Å; H315-C317 PolarHBondContact O-N 2.85Å; H315-D318 PolarHBondContact O-N 3.1Å
316	A	97.9	Very high	97	Very high	4 Å²	4	28.8 Å²	28.8	3%	0.033	14%	0.141	C	C	.	.	H	α-helix	trans	-63	-37.8	176.4	0	0	0	0	0	112.1	R312 L313 D318 T319 C333 V336 L337	R312-A316 PolarHBondContact O-N 3.45Å; L313-A316 PolarHBondContact O-N 3.37Å; L313-A316 VanDerWaalsContact O-N 3.15Å; A316-D318 PolarHBondContact O-N 2.79Å; A316-T319 PolarHBondContact O-N 3.19Å; A316-T319 PolarHBondContact O-OG1 3.24Å; A316-C333 HydrophobicContact CB-CB 4.1Å; A316-V336 HydrophobicContact CB-CG1 4.36Å; A316-L337 HydrophobicContact CB-CD1 4.13Å; A316-L337 HydrophobicContact CB-CD2 3.9Å; A316-L337 HydrophobicContact CB-CG 3.79Å
317	C	97.4	Very high	96.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-54.8	-38	177.4	-68.2	0	0	0	0	111.7	R118 I220 L313 H314 H315 T319 L320 F329	R118-C317 PolarHBondContact NH2-O 2.82Å; I220-C317 HydrophobicContact CG2-CB 3.78Å; L313-C317 PolarHBondContact O-N 2.75Å; L313-C317 PolarHBondContact O-SG 3.28Å; H314-C317 WeakPolarHBondContact O-CB 3.44Å; H314-C317 PolarHBondContact O-N 3.01Å; H315-C317 VanDerWaalsContact C-N 3.31Å; H315-C317 PolarHBondContact O-N 2.85Å; C317-T319 PolarHBondContact O-N 2.81Å; C317-L320 PolarHBondContact O-N 2.68Å; C317-F329 HydrophobicContact CB-CE1 3.91Å; C317-F329 HydrophobicContact CB-CZ 4.1Å
318	D	95.1	Very high	97	Very high	74 Å²	74	29.6 Å²	29.6	40%	0.396	15%	0.146	S	C	.	.	H	α-helix	trans	-73.2	-14.7	-177.9	-72.5	-26	0	0	0	114.5	R118 Y119 H314 H315 A316 L320	R118-D318 IonicContact CZ-OD1 2.81Å; R118-D318 IonicContact NE-OD1 3.63Å; R118-D318 PolarHBondContact NE-OD1 2.67Å; R118-D318 VanDerWaalsContact NE-OD1 3.17Å; R118-D318 IonicContact NH2-OD1 3.63Å; R118-D318 PolarHBondContact NH2-OD1 2.82Å; Y119-D318 PolarHBondContact OH-OD1 3.47Å; Y119-D318 PolarHBondContact OH-OD2 2.77Å; H314-D318 IonicContact CE1-OD2 2.67Å; H315-D318 PolarHBondContact O-N 3.1Å; A316-D318 PolarHBondContact O-N 2.79Å; D318-L320 VanDerWaalsContact C-N 3.34Å
319	T	96.9	Very high	97.1	Very high	88 Å²	88	28.7 Å²	28.7	54%	0.54	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-10.2	174	71.8	0	0	0	0	113.3	A316 C317	A316-T319 PolarHBondContact O-N 3.19Å; A316-T319 PolarHBondContact O-OG1 3.24Å; C317-T319 PolarHBondContact O-N 2.81Å
320	L	96.3	Very high	97.1	Very high	32 Å²	32	28.8 Å²	28.8	17%	0.168	14%	0.139	C	C	.	.	S	Bend	trans	-118.2	145.3	-174	-64.4	-179.9	0	0	0	112.6	R118 C317 D318 F329 M332 V336	R118-L320 PolarHBondContact NH1-O 2.95Å; C317-L320 PolarHBondContact O-N 2.68Å; D318-L320 VanDerWaalsContact C-N 3.34Å; L320-F329 HydrophobicContact CB-CE2 3.9Å; L320-F329 HydrophobicContact CB-CZ 4.33Å; L320-M332 HydrophobicContact CD1-CB 3.7Å; L320-V336 HydrophobicContact CD1-CG2 3.88Å; L320-V336 HydrophobicContact CD2-CG2 3.88Å; L320-V336 HydrophobicContact CG-CG2 4.05Å
321	E	95.5	Very high	97.1	Very high	101 Å²	101	28.9 Å²	28.9	47%	0.472	14%	0.14	S	C	.	.			trans	-67.2	137.2	166.6	-59.6	-165.5	128	0	0	110.1	R115 F329	R115-E321 IonicContact CZ-OE1 2.75Å; R115-E321 IonicContact CZ-OE2 3.89Å; R115-E321 IonicContact NE-OE2 2.79Å; R115-E321 IonicContact NH1-OE1 2.82Å; R115-E321 IonicContact NH1-OE2 3.44Å; R115-E321 PolarHBondContact NH1-OE2 3.34Å; R115-E321 IonicContact NH2-OE1 3.97Å; R115-E321 PolarHBondContact NH2-OE1 2.95Å; R115-E321 IonicContact NH2-OE2 3.17Å; R115-E321 PolarHBondContact NH2-OE2 3.05Å; E321-F329 WeakPolarHBondContact O-CE2 3.46Å
322	L	97.3	Very high	97.3	Very high	7 Å²	7	26.8 Å²	26.8	4%	0.037	13%	0.133	C	C	.	.			trans	-58.8	145.3	179.8	-57	-178.6	0	0	0	111.2	F111 R115 R118 T216 L217 I220 F329	F111-L322 HydrophobicContact CZ-CB 4.19Å; F111-L322 VanDerWaalsContact CZ-O 3.3Å; F111-L322 WeakPolarHBondContact CZ-O 3.37Å; R115-L322 WeakPolarHBondContact CD-O 3.4Å; R115-L322 HydrophobicContact CG-CB 4.09Å; R118-L322 HydrophobicContact CG-CD1 4.24Å; R118-L322 HydrophobicContact CG-CG 4.49Å; R118-L322 VanDerWaalsContact NH1-CD2 3.33Å; T216-L322 HydrophobicContact CG2-CB 4.42Å; T216-L322 HydrophobicContact CG2-CD2 4.06Å; L217-L322 HydrophobicContact CD2-CD1 3.47Å; L217-L322 VanDerWaalsContact CD2-CD1 3.47Å; L217-L322 HydrophobicContact CG-CD1 4.45Å; I220-L322 HydrophobicContact CD1-CD1 4.33Å; I220-L322 HydrophobicContact CD1-CD2 3.9Å; I220-L322 HydrophobicContact CG2-CD2 4.26Å; L322-F329 HydrophobicContact CD2-CE1 4.31Å; L322-F329 HydrophobicContact CD2-CE2 4.26Å; L322-F329 HydrophobicContact CD2-CZ 3.84Å
323	Y	97.7	Very high	97.3	Very high	6 Å²	6	23 Å²	23	2%	0.024	12%	0.119	C	C	.	.			trans	-120.3	142.5	179.3	-165.9	-105.8	0	0	0	110.1	T216 I284 L288 Y289 Y294 I325 V328 M332	T216-Y323 VanDerWaalsContact CB-O 3.29Å; T216-Y323 WeakPolarHBondContact CB-O 3.4Å; T216-Y323 PolarHBondContact OG1-O 3.43Å; I284-Y323 WeakPolarHBondContact CG2-OH 3.31Å; L288-Y323 HydrophobicContact CG-CE2 4.43Å; Y289-Y323 AromaticContact CD2-CE2 3.82Å; Y289-Y323 HydrophobicContact CD2-CE2 3.82Å; Y289-Y323 HydrophobicContact CG-CE2 4.35Å; Y294-Y323 HydrophobicContact CE1-CE1 4.1Å; Y294-Y323 AromaticContact CE1-CZ 3.85Å; Y294-Y323 WeakPolarHBondContact CE1-OH 3.25Å; Y294-Y323 PolarHBondContact OH-OH 2.96Å; Y323-I325 HydrophobicContact CD1-CB 4.1Å; Y323-I325 HydrophobicContact CE1-CB 4.04Å; Y323-I325 HydrophobicContact CE1-CD1 4.24Å; Y323-I325 HydrophobicContact CE1-CG1 4.23Å; Y323-I325 PolarHBondContact O-N 3.2Å; Y323-I325 VanDerWaalsContact O-N 3.17Å; Y323-V328 HydrophobicContact CD1-CB 4Å; Y323-V328 HydrophobicContact CD1-CG1 3.95Å; Y323-V328 HydrophobicContact CE1-CB 3.97Å; Y323-V328 HydrophobicContact CE1-CG1 3.73Å; Y323-M332 HydrophobicContact CD1-CE 3.79Å; Y323-M332 HydrophobicContact CD2-CE 3.69Å; Y323-M332 HydrophobicContact CE1-CE 4.03Å; Y323-M332 HydrophobicContact CE2-CE 3.96Å; Y323-M332 HydrophobicContact CG-CE 3.61Å; Y323-M332 HydrophobicContact CG-SD 4.48Å
324	P	96.8	Very high	97.4	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-75	-3.2	-170.5	30.4	-38.5	0	0	0	115.2	F111 F213 I284 L288	F111-P324 HydrophobicContact CD2-CB 4.25Å; F111-P324 HydrophobicContact CE1-CB 4.36Å; F111-P324 HydrophobicContact CE1-CG 4.43Å; F111-P324 HydrophobicContact CE2-CB 4.08Å; F111-P324 HydrophobicContact CG-CB 4.44Å; F111-P324 HydrophobicContact CZ-CB 4.14Å; F213-P324 HydrophobicContact CB-CB 3.99Å; F213-P324 HydrophobicContact CD1-CB 3.62Å; F213-P324 HydrophobicContact CD2-CB 3.98Å; F213-P324 HydrophobicContact CE1-CB 4.04Å; F213-P324 HydrophobicContact CE2-CB 4.34Å; F213-P324 HydrophobicContact CG-CB 3.6Å; F213-P324 HydrophobicContact CZ-CB 4.38Å; I284-P324 HydrophobicContact CD1-CG 3.6Å; L288-P324 HydrophobicContact CD2-CG 3.66Å
325	I	97.6	Very high	97.4	Very high	10 Å²	10	26.7 Å²	26.7	5%	0.051	14%	0.136	C	C	.	.	S	Bend	trans	-117	111.7	175	-56	172.5	0	0	0	107	I284 Y323 D327 V328 F329	I284-I325 HydrophobicContact CD1-CD1 3.89Å; I284-I325 HydrophobicContact CD1-CG1 4.22Å; I284-I325 HydrophobicContact CG1-CD1 3.8Å; Y323-I325 HydrophobicContact CD1-CB 4.1Å; Y323-I325 HydrophobicContact CE1-CB 4.04Å; Y323-I325 HydrophobicContact CE1-CD1 4.24Å; Y323-I325 HydrophobicContact CE1-CG1 4.23Å; Y323-I325 PolarHBondContact O-N 3.2Å; Y323-I325 VanDerWaalsContact O-N 3.17Å; I325-D327 PolarHBondContact O-N 3.37Å; I325-V328 HydrophobicContact CB-CB 4.12Å; I325-V328 HydrophobicContact CB-CG2 4Å; I325-V328 HydrophobicContact CD1-CG2 4.49Å; I325-V328 HydrophobicContact CG2-CB 4.12Å; I325-V328 HydrophobicContact CG2-CG2 3.62Å; I325-V328 PolarHBondContact O-N 3.45Å; I325-F329 PolarHBondContact O-N 3.05Å
326	D	97.4	Very high	97.5	Very high	4 Å²	4	23.7 Å²	23.7	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-60	-47.1	-172.7	59	-33.9	0	0	0	112.5	K141 L215 T216 V328 F329 L330	K141-D326 IonicContact NZ-OD2 2.8Å; K141-D326 PolarHBondContact NZ-OD2 3.2Å; L215-D326 HydrophobicContact CB-CB 3.83Å; T216-D326 WeakPolarHBondContact OG1-CA 3.27Å; T216-D326 PolarHBondContact OG1-N 3.25Å; D326-V328 VanDerWaalsContact C-N 3.31Å; D326-V328 PolarHBondContact O-N 2.8Å; D326-F329 WeakPolarHBondContact O-CB 3.25Å; D326-F329 PolarHBondContact O-N 2.95Å; D326-F329 VanDerWaalsContact O-N 3.15Å; D326-L330 PolarHBondContact O-N 2.83Å
327	D	97.1	Very high	97.4	Very high	17 Å²	17	25.6 Å²	25.6	9%	0.091	14%	0.135	C	C	.	.	H	α-helix	trans	-62.2	-40.6	-179.8	-58.1	-32.4	0	0	0	112	Y297 A298 G300 I325 L330 G331	Y297-D327 WeakPolarHBondContact CB-O 3.39Å; Y297-D327 HydrophobicContact CD2-CB 3.71Å; Y297-D327 HydrophobicContact CE2-CB 4.05Å; A298-D327 WeakPolarHBondContact O-CB 3.49Å; G300-D327 VanDerWaalsContact CA-CG 3.48Å; G300-D327 WeakPolarHBondContact CA-OD1 3.38Å; G300-D327 WeakPolarHBondContact CA-OD2 3.38Å; G300-D327 PolarHBondContact N-OD2 3.26Å; I325-D327 PolarHBondContact O-N 3.37Å; D327-L330 PolarHBondContact O-N 2.98Å; D327-G331 PolarHBondContact O-N 2.91Å
328	V	97.9	Very high	97.5	Very high	1 Å²	1	28.9 Å²	28.9	1%	0.006	17%	0.168	C	C	.	.	H	α-helix	trans	-68.3	-40.5	177	-179.9	0	0	0	0	110	Y294 Y297 Y323 I325 D326 L330 G331 M332	Y294-V328 HydrophobicContact CD1-CG1 3.46Å; Y294-V328 VanDerWaalsContact CD1-CG1 3.46Å; Y294-V328 HydrophobicContact CD2-CG1 4.1Å; Y294-V328 HydrophobicContact CD2-CG2 3.98Å; Y294-V328 HydrophobicContact CE1-CG1 3.78Å; Y294-V328 HydrophobicContact CE2-CG1 4.36Å; Y294-V328 HydrophobicContact CE2-CG2 4.02Å; Y294-V328 HydrophobicContact CG-CG1 3.64Å; Y294-V328 HydrophobicContact CG-CG2 4.33Å; Y297-V328 HydrophobicContact CD1-CG2 4.13Å; Y297-V328 HydrophobicContact CD2-CG2 4.39Å; Y297-V328 HydrophobicContact CE1-CG2 3.8Å; Y297-V328 HydrophobicContact CE2-CG2 4.09Å; Y297-V328 HydrophobicContact CG-CG2 4.41Å; Y323-V328 HydrophobicContact CD1-CB 4Å; Y323-V328 HydrophobicContact CD1-CG1 3.95Å; Y323-V328 HydrophobicContact CE1-CB 3.97Å; Y323-V328 HydrophobicContact CE1-CG1 3.73Å; I325-V328 HydrophobicContact CB-CB 4.12Å; I325-V328 HydrophobicContact CB-CG2 4Å; I325-V328 HydrophobicContact CD1-CG2 4.49Å; I325-V328 HydrophobicContact CG2-CB 4.12Å; I325-V328 HydrophobicContact CG2-CG2 3.62Å; I325-V328 PolarHBondContact O-N 3.45Å; D326-V328 VanDerWaalsContact C-N 3.31Å; D326-V328 PolarHBondContact O-N 2.8Å; V328-L330 VanDerWaalsContact C-N 3.32Å; V328-L330 PolarHBondContact O-N 3.03Å; V328-G331 WeakPolarHBondContact O-CA 3.32Å; V328-G331 PolarHBondContact O-N 3.32Å; V328-G331 VanDerWaalsContact O-N 3.11Å; V328-M332 HydrophobicContact CG1-CE 3.67Å; V328-M332 WeakPolarHBondContact O-CG 3.47Å; V328-M332 PolarHBondContact O-N 2.98Å
329	F	98.3	Very high	97.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-59.1	-43.6	176	-176.8	-107.6	0	0	0	111.7	T216 I220 C317 L320 E321 L322 I325 D326 G331 M332 C333	T216-F329 HydrophobicContact CG2-CB 3.84Å; T216-F329 HydrophobicContact CG2-CD1 3.32Å; T216-F329 HydrophobicContact CG2-CD2 4.08Å; T216-F329 HydrophobicContact CG2-CE1 3.8Å; T216-F329 HydrophobicContact CG2-CG 3.45Å; T216-F329 VanDerWaalsContact CG2-CG 3.45Å; T216-F329 HydrophobicContact CG2-CZ 4.37Å; I220-F329 HydrophobicContact CG2-CE1 3.71Å; I220-F329 HydrophobicContact CG2-CZ 4.42Å; C317-F329 HydrophobicContact CB-CE1 3.91Å; C317-F329 HydrophobicContact CB-CZ 4.1Å; L320-F329 HydrophobicContact CB-CE2 3.9Å; L320-F329 HydrophobicContact CB-CZ 4.33Å; E321-F329 WeakPolarHBondContact O-CE2 3.46Å; L322-F329 HydrophobicContact CD2-CE1 4.31Å; L322-F329 HydrophobicContact CD2-CE2 4.26Å; L322-F329 HydrophobicContact CD2-CZ 3.84Å; I325-F329 PolarHBondContact O-N 3.05Å; D326-F329 WeakPolarHBondContact O-CB 3.25Å; D326-F329 PolarHBondContact O-N 2.95Å; D326-F329 VanDerWaalsContact O-N 3.15Å; F329-G331 VanDerWaalsContact C-N 3.33Å; F329-G331 PolarHBondContact O-N 3.32Å; F329-M332 WeakPolarHBondContact O-CB 3.33Å; F329-M332 PolarHBondContact O-N 3.04Å; F329-M332 VanDerWaalsContact O-N 3.13Å; F329-C333 PolarHBondContact O-N 3.19Å; F329-C333 PolarHBondContact O-SG 2.81Å
330	L	98	Very high	97.5	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-40.8	172.7	-76.7	177.2	0	0	0	112.3	E219 L223 F264 F303 L313 D326 D327 V328 M332 C333 L334	E219-L330 HydrophobicContact CG-CD1 4.04Å; E219-L330 HydrophobicContact CG-CD2 3.65Å; E219-L330 HydrophobicContact CG-CG 3.86Å; E219-L330 WeakPolarHBondContact OE1-CD1 3.29Å; E219-L330 WeakPolarHBondContact OE1-CD2 3.41Å; L223-L330 HydrophobicContact CD1-CD2 4.12Å; F264-L330 HydrophobicContact CZ-CD1 4.4Å; F303-L330 HydrophobicContact CE1-CD1 4.02Å; F303-L330 HydrophobicContact CE2-CD1 4.31Å; F303-L330 HydrophobicContact CZ-CD1 3.48Å; F303-L330 VanDerWaalsContact CZ-CD1 3.48Å; L313-L330 HydrophobicContact CD1-CD2 4.49Å; D326-L330 PolarHBondContact O-N 2.83Å; D327-L330 PolarHBondContact O-N 2.98Å; V328-L330 VanDerWaalsContact C-N 3.32Å; V328-L330 PolarHBondContact O-N 3.03Å; L330-M332 VanDerWaalsContact C-N 3.29Å; L330-M332 PolarHBondContact O-N 3.46Å; L330-C333 WeakPolarHBondContact O-CB 3.48Å; L330-C333 PolarHBondContact O-N 3.29Å; L330-C333 VanDerWaalsContact O-N 3.11Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.14Å
331	G	98.1	Very high	97.6	Very high	2 Å²	2	31.6 Å²	31.6	2%	0.021	16%	0.164	C	C	.	.	H	α-helix	trans	-56.8	-40.2	171.5	0	0	0	0	0	113.2	D327 V328 F329 L334 E335	D327-G331 PolarHBondContact O-N 2.91Å; V328-G331 WeakPolarHBondContact O-CA 3.32Å; V328-G331 PolarHBondContact O-N 3.32Å; V328-G331 VanDerWaalsContact O-N 3.11Å; F329-G331 VanDerWaalsContact C-N 3.33Å; F329-G331 PolarHBondContact O-N 3.32Å; G331-L334 PolarHBondContact O-N 3.04Å; G331-E335 PolarHBondContact O-N 3.33Å
332	M	98.4	Very high	97.6	Very high	11 Å²	11	30.8 Å²	30.8	5%	0.054	16%	0.161	C	C	.	.	H	α-helix	trans	-65.6	-40.3	173.6	-59.1	-176.7	-164.7	0	0	111.7	W62 Y289 P295 L320 Y323 V328 F329 L330 E335 V336	W62-M332 HydrophobicContact CH2-CE 4.49Å; W62-M332 HydrophobicContact CH2-SD 4.47Å; Y289-M332 HydrophobicContact CD2-CE 3.97Å; Y289-M332 HydrophobicContact CE2-CE 3.55Å; P295-M332 HydrophobicContact CG-CB 4.47Å; P295-M332 HydrophobicContact CG-CG 3.9Å; L320-M332 HydrophobicContact CD1-CB 3.7Å; Y323-M332 HydrophobicContact CD1-CE 3.79Å; Y323-M332 HydrophobicContact CD2-CE 3.69Å; Y323-M332 HydrophobicContact CE1-CE 4.03Å; Y323-M332 HydrophobicContact CE2-CE 3.96Å; Y323-M332 HydrophobicContact CG-CE 3.61Å; Y323-M332 HydrophobicContact CG-SD 4.48Å; V328-M332 HydrophobicContact CG1-CE 3.67Å; V328-M332 WeakPolarHBondContact O-CG 3.47Å; V328-M332 PolarHBondContact O-N 2.98Å; F329-M332 WeakPolarHBondContact O-CB 3.33Å; F329-M332 PolarHBondContact O-N 3.04Å; F329-M332 VanDerWaalsContact O-N 3.13Å; L330-M332 VanDerWaalsContact C-N 3.29Å; L330-M332 PolarHBondContact O-N 3.46Å; M332-E335 WeakPolarHBondContact O-CB 3.48Å; M332-E335 PolarHBondContact O-N 2.88Å; M332-V336 WeakPolarHBondContact O-CG2 3.34Å; M332-V336 PolarHBondContact O-N 3.38Å
333	C	98.6	Very high	97.6	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-65.2	-39.7	176.3	-60.9	0	0	0	0	111.7	L313 A316 F329 L330 E335 V336 L337	L313-C333 HydrophobicContact CD2-CB 3.64Å; A316-C333 HydrophobicContact CB-CB 4.1Å; F329-C333 PolarHBondContact O-N 3.19Å; F329-C333 PolarHBondContact O-SG 2.81Å; L330-C333 WeakPolarHBondContact O-CB 3.48Å; L330-C333 PolarHBondContact O-N 3.29Å; L330-C333 VanDerWaalsContact O-N 3.11Å; C333-E335 VanDerWaalsContact C-N 3.33Å; C333-E335 PolarHBondContact O-N 2.69Å; C333-V336 WeakPolarHBondContact O-CB 3.4Å; C333-V336 PolarHBondContact O-N 3.36Å; C333-L337 WeakPolarHBondContact O-CG 3.42Å; C333-L337 PolarHBondContact O-N 3.41Å
334	L	98.4	Very high	97.5	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-40.3	173.8	-72.5	170	0	0	0	111.7	F264 L309 L313 L330 G331 L337 G338 V339 P341	F264-L334 HydrophobicContact CB-CD2 4.36Å; F264-L334 HydrophobicContact CD1-CD1 3.86Å; F264-L334 HydrophobicContact CD2-CD1 4.09Å; F264-L334 HydrophobicContact CD2-CD2 3.98Å; F264-L334 HydrophobicContact CE1-CD1 3.95Å; F264-L334 HydrophobicContact CE2-CD1 4.19Å; F264-L334 HydrophobicContact CG-CD1 3.92Å; F264-L334 HydrophobicContact CG-CD2 4.18Å; F264-L334 HydrophobicContact CZ-CD1 4.12Å; L309-L334 HydrophobicContact CD1-CD2 4.34Å; L309-L334 HydrophobicContact CD2-CD2 4.12Å; L313-L334 HydrophobicContact CD1-CD2 4.48Å; L313-L334 HydrophobicContact CD2-CD2 3.96Å; L313-L334 HydrophobicContact CD2-CG 4.1Å; L330-L334 WeakPolarHBondContact O-CG 3.34Å; L330-L334 PolarHBondContact O-N 3.14Å; G331-L334 PolarHBondContact O-N 3.04Å; L334-L337 CarbonylContact O-C 3.43Å; L334-L337 PolarHBondContact O-N 3.3Å; L334-G338 PolarHBondContact O-N 3.3Å; L334-V339 CarbonylContact C-O 3.54Å; L334-V339 HydrophobicContact CD2-CB 3.96Å; L334-V339 HydrophobicContact CD2-CG1 3.86Å; L334-V339 PolarHBondContact O-N 3.47Å; L334-P341 HydrophobicContact CD1-CB 4.11Å; L334-P341 HydrophobicContact CD1-CG 4.25Å
335	E	97.9	Very high	97.3	Very high	93 Å²	93	42.3 Å²	42.3	44%	0.435	23%	0.226	S	C	.	.	H	α-helix	trans	-60.4	-45	173.9	-177.6	173.9	-112.5	0	0	111.5	P295 G331 M332 C333 L337 G338	P295-E335 HydrophobicContact CB-CB 4.14Å; G331-E335 PolarHBondContact O-N 3.33Å; M332-E335 WeakPolarHBondContact O-CB 3.48Å; M332-E335 PolarHBondContact O-N 2.88Å; C333-E335 VanDerWaalsContact C-N 3.33Å; C333-E335 PolarHBondContact O-N 2.69Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 3.08Å; E335-G338 PolarHBondContact O-N 2.91Å; E335-G338 VanDerWaalsContact O-N 3.08Å
336	V	97.9	Very high	97.2	Very high	44 Å²	44	41.8 Å²	41.8	27%	0.267	22%	0.223	S	C	.	.	H	α-helix	trans	-58.4	-40.3	173.8	170.5	0	0	0	0	111.7	L65 A316 L320 M332 C333 G338	L65-V336 HydrophobicContact CD2-CG2 4.25Å; A316-V336 HydrophobicContact CB-CG1 4.36Å; L320-V336 HydrophobicContact CD1-CG2 3.88Å; L320-V336 HydrophobicContact CD2-CG2 3.88Å; L320-V336 HydrophobicContact CG-CG2 4.05Å; M332-V336 WeakPolarHBondContact O-CG2 3.34Å; M332-V336 PolarHBondContact O-N 3.38Å; C333-V336 WeakPolarHBondContact O-CB 3.4Å; C333-V336 PolarHBondContact O-N 3.36Å; V336-G338 VanDerWaalsContact C-N 3.25Å; V336-G338 PolarHBondContact O-N 3.12Å
337	L	97.7	Very high	97.2	Very high	45 Å²	45	41.7 Å²	41.7	24%	0.236	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-4.2	178.8	-66.4	179.8	0	0	0	114.1	L309 R312 L313 A316 C333 L334 E335 V339	L309-L337 HydrophobicContact CD1-CD1 3.94Å; R312-L337 HydrophobicContact CB-CD1 3.93Å; R312-L337 HydrophobicContact CB-CD2 4.25Å; L313-L337 HydrophobicContact CD2-CD1 3.82Å; L313-L337 HydrophobicContact CG-CD1 4.04Å; A316-L337 HydrophobicContact CB-CD1 4.13Å; A316-L337 HydrophobicContact CB-CD2 3.9Å; A316-L337 HydrophobicContact CB-CG 3.79Å; C333-L337 WeakPolarHBondContact O-CG 3.42Å; C333-L337 PolarHBondContact O-N 3.41Å; L334-L337 CarbonylContact O-C 3.43Å; L334-L337 PolarHBondContact O-N 3.3Å; E335-L337 VanDerWaalsContact C-N 3.28Å; E335-L337 PolarHBondContact O-N 3.08Å; L337-V339 HydrophobicContact CB-CG2 4.03Å; L337-V339 PolarHBondContact O-N 3.33Å
338	G	97.5	Very high	97.1	Very high	68 Å²	68	43.3 Å²	43.3	70%	0.701	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	20.9	-173.4	0	0	0	0	0	113.9	L334 E335 V336	L334-G338 PolarHBondContact O-N 3.3Å; E335-G338 PolarHBondContact O-N 2.91Å; E335-G338 VanDerWaalsContact O-N 3.08Å; V336-G338 VanDerWaalsContact C-N 3.25Å; V336-G338 PolarHBondContact O-N 3.12Å
339	V	97.4	Very high	96.7	Very high	10 Å²	10	43.8 Å²	43.8	6%	0.061	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-98.2	133	-179.4	176.9	0	0	0	0	109.4	N262 L309 L334 L337	N262-V339 HydrophobicContact CB-CG1 3.98Å; N262-V339 HydrophobicContact CB-CG2 4.09Å; L309-V339 HydrophobicContact CD1-CG1 4.39Å; L309-V339 HydrophobicContact CD1-CG2 4.02Å; L309-V339 HydrophobicContact CD2-CG1 4.18Å; L334-V339 CarbonylContact C-O 3.54Å; L334-V339 HydrophobicContact CD2-CB 3.96Å; L334-V339 HydrophobicContact CD2-CG1 3.86Å; L334-V339 PolarHBondContact O-N 3.47Å; L337-V339 HydrophobicContact CB-CG2 4.03Å; L337-V339 PolarHBondContact O-N 3.33Å
340	R	96.1	Very high	96.1	Very high	226 Å²	226	49.6 Å²	49.6	85%	0.853	26%	0.257	S	S	*	.	P	Polyproline II helix	trans	-100.3	126.3	175.2	-67.1	-175.8	178.4	177.7	0.7	110.1
341	P	97.1	Very high	95.6	Very high	16 Å²	16	50 Å²	50	10%	0.104	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-67.5	142.9	174.1	29.8	-34.6	0	0	0	110.6	F264 V268 P296 L334	F264-P341 HydrophobicContact CD1-CB 3.76Å; F264-P341 HydrophobicContact CE1-CB 4.46Å; F264-P341 CarbonylContact O-C 3.43Å; F264-P341 WeakPolarHBondContact O-CA 3.33Å; V268-P341 HydrophobicContact CG1-CB 4.48Å; V268-P341 HydrophobicContact CG1-CG 3.96Å; V268-P341 HydrophobicContact CG2-CB 3.85Å; V268-P341 HydrophobicContact CG2-CG 4.23Å; P296-P341 HydrophobicContact CB-CG 3.95Å; L334-P341 HydrophobicContact CD1-CB 4.11Å; L334-P341 HydrophobicContact CD1-CG 4.25Å
342	M	96.3	Very high	95	Very high	83 Å²	83	51 Å²	51	41%	0.409	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	126.2	-179.1	-175.1	-177.3	-60.7	0	0	110.4	F264 V265 G266 V268	F264-M342 PolarHBondContact O-N 3.33Å; V265-M342 VanDerWaalsContact CA-O 3.28Å; V265-M342 WeakPolarHBondContact CA-O 3.4Å; V265-M342 HydrophobicContact CB-CB 4.14Å; V265-M342 HydrophobicContact CG2-CB 4.13Å; V265-M342 HydrophobicContact CG2-CG 4.22Å; V265-M342 WeakPolarHBondContact CG2-O 3.41Å; V265-M342 HydrophobicContact CG2-SD 4.37Å; G266-M342 PolarHBondContact N-O 3.34Å; G266-M342 VanDerWaalsContact N-O 3.08Å; V268-M342 WeakPolarHBondContact CG2-O 3.31Å
343	A	96.6	Very high	94.6	Very high	63 Å²	63	51.9 Å²	51.9	52%	0.521	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	139.9	172.3	0	0	0	0	0	110.3	G266 V268	G266-A343 WeakPolarHBondContact O-CA 3.44Å; V268-A343 HydrophobicContact CB-CB 4.03Å; V268-A343 HydrophobicContact CG2-CB 4.31Å
344	H	95.6	Very high	93.8	Very high	32 Å²	32	63.1 Å²	63.1	15%	0.148	32%	0.316	C	S	.	.			trans	-140.5	128.7	175.3	-170.4	-75.8	0	0	0	111.8	F253 V265 G266 G346 F347 L371 V400	F253-H344 AromaticContact CD2-CD2 3.95Å; F253-H344 AromaticContact CD2-NE2 3.59Å; F253-H344 AromaticContact CE2-CD2 3.51Å; F253-H344 AromaticContact CE2-NE2 3.63Å; V265-H344 HydrophobicContact CG2-CB 3.45Å; V265-H344 VanDerWaalsContact CG2-CB 3.45Å; G266-H344 PolarHBondContact O-N 2.92Å; H344-G346 PolarHBondContact ND1-N 2.88Å; H344-G346 VanDerWaalsContact ND1-N 3.14Å; H344-G346 PolarHBondContact O-N 2.92Å; H344-G346 VanDerWaalsContact O-N 3.15Å; H344-F347 HydrophobicContact CB-CD2 3.88Å; H344-F347 HydrophobicContact CB-CE2 4.25Å; H344-F347 PolarHBondContact O-N 2.91Å; H344-F347 VanDerWaalsContact O-N 3.1Å; H344-L371 VanDerWaalsContact CE1-CD1 3.42Å; H344-L371 WeakPolarHBondContact CE1-CD1 3.34Å; H344-V400 PolarHBondContact CE1-O 3.47Å; H344-V400 PolarHBondContact NE2-O 3.35Å
345	E	93.6	Very high	93.4	Very high	160 Å²	160	67.4 Å²	67.4	75%	0.748	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-23.6	-170	-62.7	-163.5	158.6	0	0	113.9	F347 K348	E345-F347 PolarHBondContact O-N 3.41Å; E345-K348 WeakPolarHBondContact O-CE 3.26Å; E345-K348 PolarHBondContact O-NZ 3.35Å
346	G	95.4	Very high	92.7	Very high	0 Å²	0	73.6 Å²	73.6	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-5.8	176.2	0	0	0	0	0	115.7	H344 L371 V372	H344-G346 PolarHBondContact ND1-N 2.88Å; H344-G346 VanDerWaalsContact ND1-N 3.14Å; H344-G346 PolarHBondContact O-N 2.92Å; H344-G346 VanDerWaalsContact O-N 3.15Å; G346-L371 PolarHBondContact O-N 3.3Å; G346-V372 PolarHBondContact O-N 3.21Å
347	F	96.8	Very high	92.2	Very high	2 Å²	2	78.5 Å²	78.5	1%	0.009	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	116	170.5	-70.7	-102.7	0	0	0	109.3	F237 L250 V265 D267 G302 L304 H344 E345 L371 V372	F237-F347 HydrophobicContact CE2-CE1 4.34Å; L250-F347 HydrophobicContact CD2-CZ 4.43Å; V265-F347 HydrophobicContact CG2-CE2 4.48Å; D267-F347 HydrophobicContact CB-CB 3.92Å; G302-F347 WeakPolarHBondContact O-CD1 3.46Å; L304-F347 HydrophobicContact CD1-CZ 4.21Å; L304-F347 HydrophobicContact CG-CZ 4.19Å; H344-F347 HydrophobicContact CB-CD2 3.88Å; H344-F347 HydrophobicContact CB-CE2 4.25Å; H344-F347 PolarHBondContact O-N 2.91Å; H344-F347 VanDerWaalsContact O-N 3.1Å; E345-F347 PolarHBondContact O-N 3.41Å; F347-L371 HydrophobicContact CD2-CB 4.31Å; F347-L371 HydrophobicContact CD2-CD2 4.44Å; F347-L371 HydrophobicContact CE2-CB 4.09Å; F347-L371 HydrophobicContact CE2-CD2 3.63Å; F347-L371 HydrophobicContact CE2-CG 4.37Å; F347-L371 HydrophobicContact CZ-CB 4.35Å; F347-L371 HydrophobicContact CZ-CD2 4.09Å; F347-V372 HydrophobicContact CD1-CB 3.83Å; F347-V372 HydrophobicContact CD1-CG2 3.54Å; F347-V372 HydrophobicContact CE1-CB 4.31Å; F347-V372 HydrophobicContact CE1-CG2 3.5Å; F347-V372 HydrophobicContact CG-CB 4.48Å; F347-V372 HydrophobicContact CG-CG2 4.45Å; F347-V372 HydrophobicContact CZ-CG2 4.38Å
348	K	94.8	Very high	91.9	Very high	50 Å²	50	77.6 Å²	77.6	22%	0.217	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	77.2	-177	-63.8	-56.1	-169.2	-149.5	0	110.7	E345 F350 G351 I352 M370 V372 V373 H374	E345-K348 WeakPolarHBondContact O-CE 3.26Å; E345-K348 PolarHBondContact O-NZ 3.35Å; K348-F350 VanDerWaalsContact C-N 3.25Å; K348-F350 PolarHBondContact O-N 2.98Å; K348-G351 PolarHBondContact O-N 3.12Å; K348-I352 HydrophobicContact CG-CG1 4.39Å; K348-M370 HydrophobicContact CD-SD 4.43Å; K348-M370 HydrophobicContact CG-CG 4.26Å; K348-M370 HydrophobicContact CG-SD 3.79Å; K348-V372 PolarHBondContact N-O 2.95Å; K348-V373 HydrophobicContact CB-CG2 4.45Å; K348-H374 PolarHBondContact O-N 3.41Å
349	T	89.6	Confident	91.4	Very high	11 Å²	11	85 Å²	85	7%	0.067	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.2	-175.8	66.7	0	0	0	0	113.8	D267 H374	D267-T349 HydrophobicContact CB-CG2 3.58Å; D267-T349 WeakPolarHBondContact OD2-CB 3.45Å; D267-T349 PolarHBondContact OD2-N 2.97Å; D267-T349 VanDerWaalsContact OD2-N 3.07Å; D267-T349 PolarHBondContact OD2-OG1 3Å; T349-H374 WeakPolarHBondContact O-CB 3.41Å
350	F	86.3	Confident	90.9	Very high	122 Å²	122	88.3 Å²	88.3	54%	0.535	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.9	22.9	174.5	-62	-83.5	0	0	0	112.9	L269 K348	L269-F350 HydrophobicContact CD1-CE2 4.26Å; L269-F350 HydrophobicContact CD2-CE2 4.22Å; L269-F350 HydrophobicContact CD2-CZ 4.11Å; K348-F350 VanDerWaalsContact C-N 3.25Å; K348-F350 PolarHBondContact O-N 2.98Å
351	G	86.8	Confident	90.6	Very high	11 Å²	11	78.8 Å²	78.8	11%	0.113	37%	0.369	C	S	.	.			trans	81.2	164.8	-168.7	0	0	0	0	0	112.7	K348 S353 H374	K348-G351 PolarHBondContact O-N 3.12Å; G351-S353 PolarHBondContact O-N 3.46Å; G351-H374 VanDerWaalsContact CA-O 3.26Å; G351-H374 WeakPolarHBondContact CA-O 3.41Å; G351-H374 PolarHBondContact N-O 3.35Å
352	I	86.9	Confident	90.2	Very high	23 Å²	23	85 Å²	85	12%	0.118	40%	0.395	C	S	.	.	S	Bend	trans	-60	-36.8	176.1	-67.3	153.6	0	0	0	110.6	K348 M360 N361 F366 F367 V373	K348-I352 HydrophobicContact CG-CG1 4.39Å; I352-M360 VanDerWaalsContact CD1-O 3.26Å; I352-M360 WeakPolarHBondContact CD1-O 3.35Å; I352-M360 HydrophobicContact CG2-CB 4.21Å; I352-M360 HydrophobicContact CG2-CE 4.17Å; I352-N361 PolarHBondContact N-OD1 2.78Å; I352-F366 HydrophobicContact CD1-CB 3.42Å; I352-F366 VanDerWaalsContact CD1-CB 3.42Å; I352-F366 HydrophobicContact CD1-CG 4.27Å; I352-F366 HydrophobicContact CG1-CB 4.16Å; I352-F366 HydrophobicContact CG2-CB 4.25Å; I352-F366 HydrophobicContact CG2-CD1 4.04Å; I352-F366 HydrophobicContact CG2-CG 4.03Å; I352-F367 HydrophobicContact CD1-CD2 3.93Å; I352-F367 HydrophobicContact CD1-CE2 3.72Å; I352-F367 HydrophobicContact CD1-CZ 4.33Å; I352-V373 HydrophobicContact CD1-CG1 4.15Å; I352-V373 HydrophobicContact CD1-CG2 4.48Å; I352-V373 HydrophobicContact CG1-CG1 4.02Å; I352-V373 HydrophobicContact CG1-CG2 4.32Å
353	S	88.8	Confident	90	Very high	29 Å²	29	85 Å²	85	20%	0.203	39%	0.394	C	S	.	.	S	Bend	trans	-119	135.7	171.7	-176.5	0	0	0	0	110.3	G351 N355 N361	G351-S353 PolarHBondContact O-N 3.46Å; S353-N355 CarbonylContact O-C 3.54Å; S353-N355 PolarHBondContact O-N 3Å; S353-N355 VanDerWaalsContact O-N 3.12Å; S353-N355 PolarHBondContact OG-N 3.25Å; S353-N361 PolarHBondContact N-OD1 3.15Å; S353-N361 PolarHBondContact O-ND2 3.29Å; S353-N361 VanDerWaalsContact O-ND2 3.14Å; S353-N361 PolarHBondContact O-OD1 3.2Å
354	R	83.3	Confident	89.9	Confident	236 Å²	236	82.7 Å²	82.7	89%	0.891	37%	0.374	S	S	*	.	S	Bend	trans	-56.6	-27.2	173.5	-71.4	-176.1	166.9	177.8	-2.7	113	R356	R354-R356 PolarHBondContact O-N 3.11Å
355	N	88.5	Confident	89.8	Confident	92 Å²	92	82.4 Å²	82.4	49%	0.492	38%	0.375	S	S	.	.	S	Bend	trans	-75.1	106.8	169.8	180	1.4	0	0	0	109.1	S353 N357 S358 N361	S353-N355 CarbonylContact O-C 3.54Å; S353-N355 PolarHBondContact O-N 3Å; S353-N355 VanDerWaalsContact O-N 3.12Å; S353-N355 PolarHBondContact OG-N 3.25Å; N355-N357 PolarHBondContact O-N 3.01Å; N355-N357 VanDerWaalsContact O-N 3.08Å; N355-N357 PolarHBondContact OD1-N 3.41Å; N355-S358 WeakPolarHBondContact O-CB 3.44Å; N355-S358 PolarHBondContact O-N 2.89Å; N355-N361 PolarHBondContact O-ND2 2.94Å
356	R	84.2	Confident	89.7	Confident	222 Å²	222	77.1 Å²	77.1	84%	0.838	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-30.8	179.7	-66.8	-177	177.7	-177.1	-1.4	113.4	R354 S358 N361	R354-R356 PolarHBondContact O-N 3.11Å; R356-S358 VanDerWaalsContact C-N 3.33Å; R356-N361 PolarHBondContact O-ND2 3.12Å
357	N	87.2	Confident	89.6	Confident	147 Å²	147	77.1 Å²	77.1	79%	0.786	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	1	-178.8	-61	-26.2	0	0	0	113.3	N355 R359	N355-N357 PolarHBondContact O-N 3.01Å; N355-N357 VanDerWaalsContact O-N 3.08Å; N355-N357 PolarHBondContact OD1-N 3.41Å; N357-R359 PolarHBondContact O-N 3.31Å
358	S	90.3	Very high	89.5	Confident	27 Å²	27	82.6 Å²	82.6	19%	0.189	37%	0.37	C	S	.	.			trans	-63.8	134.2	178.3	-177.9	0	0	0	0	111.1	N355 R356 M360 N361	N355-S358 WeakPolarHBondContact O-CB 3.44Å; N355-S358 PolarHBondContact O-N 2.89Å; R356-S358 VanDerWaalsContact C-N 3.33Å; S358-M360 PolarHBondContact O-N 3.41Å; S358-M360 WeakPolarHBondContact OG-CB 3.49Å; S358-M360 PolarHBondContact OG-N 2.81Å; S358-N361 WeakPolarHBondContact O-CB 3.18Å; S358-N361 PolarHBondContact O-N 3.41Å; S358-N361 VanDerWaalsContact O-N 3.1Å
359	R	88	Confident	89.4	Confident	224 Å²	224	80.9 Å²	80.9	85%	0.845	37%	0.365	S	S	*	.	G	3₁₀ helix	trans	-59.6	-26.2	173.1	-65.6	-175.6	-178.6	-177.2	0.5	112.3	N357 N361 K362 E363	N357-R359 PolarHBondContact O-N 3.31Å; R359-N361 PolarHBondContact O-N 2.94Å; R359-K362 PolarHBondContact O-N 2.88Å; R359-E363 PolarHBondContact O-N 3.11Å
360	M	86.4	Confident	89.6	Confident	78 Å²	78	81 Å²	81	38%	0.384	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-57.7	-31.2	176.1	-62.4	176	72.9	0	0	112.6	I352 S358 K362 E363 F366	I352-M360 VanDerWaalsContact CD1-O 3.26Å; I352-M360 WeakPolarHBondContact CD1-O 3.35Å; I352-M360 HydrophobicContact CG2-CB 4.21Å; I352-M360 HydrophobicContact CG2-CE 4.17Å; S358-M360 PolarHBondContact O-N 3.41Å; S358-M360 WeakPolarHBondContact OG-CB 3.49Å; S358-M360 PolarHBondContact OG-N 2.81Å; M360-K362 PolarHBondContact O-N 2.81Å; M360-K362 VanDerWaalsContact O-N 3.13Å; M360-E363 PolarHBondContact O-N 3.25Å; M360-F366 HydrophobicContact CB-CE2 4.33Å; M360-F366 HydrophobicContact CE-CE1 3.9Å; M360-F366 HydrophobicContact CE-CE2 3.95Å; M360-F366 HydrophobicContact CE-CZ 3.47Å; M360-F366 VanDerWaalsContact CE-CZ 3.47Å; M360-F366 HydrophobicContact CG-CE2 4.24Å
361	N	89.6	Confident	90.1	Very high	26 Å²	26	75.1 Å²	75.1	14%	0.139	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-70.4	-4.6	178.5	-68.7	-23.6	0	0	0	113.5	I352 S353 N355 R356 S358 R359 F367	I352-N361 PolarHBondContact N-OD1 2.78Å; S353-N361 PolarHBondContact N-OD1 3.15Å; S353-N361 PolarHBondContact O-ND2 3.29Å; S353-N361 VanDerWaalsContact O-ND2 3.14Å; S353-N361 PolarHBondContact O-OD1 3.2Å; N355-N361 PolarHBondContact O-ND2 2.94Å; R356-N361 PolarHBondContact O-ND2 3.12Å; S358-N361 WeakPolarHBondContact O-CB 3.18Å; S358-N361 PolarHBondContact O-N 3.41Å; S358-N361 VanDerWaalsContact O-N 3.1Å; R359-N361 PolarHBondContact O-N 2.94Å; N361-F367 WeakPolarHBondContact O-CE2 3.34Å; N361-F367 WeakPolarHBondContact O-CZ 3.48Å
362	K	89.9	Confident	90.6	Very high	148 Å²	148	74.6 Å²	74.6	64%	0.643	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-126.6	11.7	178.6	-60.8	-171.3	176.1	-166.9	0	112.7	R359 M360 P364 M384	R359-K362 PolarHBondContact O-N 2.88Å; M360-K362 PolarHBondContact O-N 2.81Å; M360-K362 VanDerWaalsContact O-N 3.13Å; K362-P364 WeakPolarHBondContact O-CD 3.39Å; K362-M384 WeakPolarHBondContact O-CE 3.4Å
363	E	91.9	Very high	91	Very high	82 Å²	82	73.6 Å²	73.6	38%	0.383	33%	0.329	S	S	.	.			trans	-96	110.7	-171.9	178.2	59.1	-118	0	0	110.6	R359 M360 C365 F366 F367	R359-E363 PolarHBondContact O-N 3.11Å; M360-E363 PolarHBondContact O-N 3.25Å; E363-C365 PolarHBondContact O-N 3.37Å; E363-C365 VanDerWaalsContact O-N 3.09Å; E363-F366 HydrophobicContact CB-CD2 3.8Å; E363-F366 HydrophobicContact CB-CE2 4.3Å; E363-F366 HydrophobicContact CG-CD2 3.73Å; E363-F366 HydrophobicContact CG-CE2 4Å; E363-F366 PolarHBondContact O-N 3.48Å; E363-F367 WeakPolarHBondContact O-CD2 3.43Å
364	P	94.3	Very high	91.3	Very high	15 Å²	15	74.7 Å²	74.7	10%	0.097	33%	0.331	C	S	.	.	H	α-helix	trans	-57.7	-30.4	-168.6	-27.1	35.2	0	0	0	115	K362 F366 F367 R368 M384 L387 V388 L392	K362-P364 WeakPolarHBondContact O-CD 3.39Å; P364-F366 VanDerWaalsContact C-N 3.27Å; P364-F366 PolarHBondContact O-N 3.36Å; P364-F367 PolarHBondContact O-N 3.33Å; P364-F367 VanDerWaalsContact O-N 3.16Å; P364-R368 PolarHBondContact O-N 3.41Å; P364-M384 HydrophobicContact CB-SD 3.82Å; P364-M384 HydrophobicContact CG-CE 4.36Å; P364-M384 HydrophobicContact CG-SD 3.8Å; P364-L387 HydrophobicContact CB-CB 4.09Å; P364-L387 HydrophobicContact CG-CB 3.93Å; P364-L387 HydrophobicContact CG-CD1 3.85Å; P364-L387 HydrophobicContact CG-CG 4.48Å; P364-V388 HydrophobicContact CB-CG2 4.19Å; P364-L392 HydrophobicContact CB-CD1 4.34Å; P364-L392 HydrophobicContact CB-CD2 3.72Å
365	C	92.6	Very high	91.7	Very high	25 Å²	25	69.1 Å²	69.1	17%	0.169	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-31.5	179	-76.3	0	0	0	0	113.6	E363 C394	E363-C365 PolarHBondContact O-N 3.37Å; E363-C365 VanDerWaalsContact O-N 3.09Å; C365-C394 WeakPolarHBondContact CA-SG 3.45Å; C365-C394 HydrophobicContact CB-CB 3.77Å; C365-C394 WeakPolarHBondContact CB-SG 3.41Å; C365-C394 WeakPolarHBondContact SG-CA 3.4Å; C365-C394 WeakPolarHBondContact SG-CB 3.32Å; C365-C394 CovalentContact SG-SG 2.04Å; C365-C394 PolarHBondContact SG-SG 3.1Å
366	F	92.5	Very high	92	Very high	49 Å²	49	65.2 Å²	65.2	22%	0.215	29%	0.292	C	S	.	.	H	α-helix	trans	-73.1	-43.8	172.8	-71	-76.3	0	0	0	110.8	I352 M360 E363 P364 R368 A369 M370 L398	I352-F366 HydrophobicContact CD1-CB 3.42Å; I352-F366 VanDerWaalsContact CD1-CB 3.42Å; I352-F366 HydrophobicContact CD1-CG 4.27Å; I352-F366 HydrophobicContact CG1-CB 4.16Å; I352-F366 HydrophobicContact CG2-CB 4.25Å; I352-F366 HydrophobicContact CG2-CD1 4.04Å; I352-F366 HydrophobicContact CG2-CG 4.03Å; M360-F366 HydrophobicContact CB-CE2 4.33Å; M360-F366 HydrophobicContact CE-CE1 3.9Å; M360-F366 HydrophobicContact CE-CE2 3.95Å; M360-F366 HydrophobicContact CE-CZ 3.47Å; M360-F366 VanDerWaalsContact CE-CZ 3.47Å; M360-F366 HydrophobicContact CG-CE2 4.24Å; E363-F366 HydrophobicContact CB-CD2 3.8Å; E363-F366 HydrophobicContact CB-CE2 4.3Å; E363-F366 HydrophobicContact CG-CD2 3.73Å; E363-F366 HydrophobicContact CG-CE2 4Å; E363-F366 PolarHBondContact O-N 3.48Å; P364-F366 VanDerWaalsContact C-N 3.27Å; P364-F366 PolarHBondContact O-N 3.36Å; F366-R368 PolarHBondContact O-N 3.46Å; F366-A369 PolarHBondContact O-N 2.87Å; F366-M370 VanDerWaalsContact O-CG 3.23Å; F366-M370 WeakPolarHBondContact O-CG 3.32Å; F366-M370 PolarHBondContact O-N 3.2Å; F366-L398 HydrophobicContact CD1-CD1 3.55Å; F366-L398 HydrophobicContact CE1-CD1 3.51Å
367	F	94.2	Very high	92.6	Very high	1 Å²	1	57.9 Å²	57.9	0%	0.004	27%	0.269	C	S	.	.	H	α-helix	trans	-57.1	-38.2	176.8	-75.8	-98.6	0	0	0	112.2	F244 I352 N361 E363 P364 A369 M370 V373 L376 M384 V388	F244-F367 HydrophobicContact CB-CD1 3.76Å; F244-F367 HydrophobicContact CB-CE1 3.87Å; F244-F367 HydrophobicContact CD1-CB 4.3Å; F244-F367 AromaticContact CD1-CD1 3.7Å; F244-F367 HydrophobicContact CD1-CD1 3.7Å; F244-F367 HydrophobicContact CD2-CD1 4.07Å; F244-F367 HydrophobicContact CE1-CB 4.06Å; F244-F367 HydrophobicContact CE1-CD1 4.28Å; F244-F367 WeakPolarHBondContact CE1-O 3.36Å; F244-F367 AromaticContact CG-CD1 3.58Å; F244-F367 HydrophobicContact CG-CD1 3.58Å; F244-F367 HydrophobicContact CG-CE1 4.2Å; F244-F367 HydrophobicContact CZ-CB 4.31Å; I352-F367 HydrophobicContact CD1-CD2 3.93Å; I352-F367 HydrophobicContact CD1-CE2 3.72Å; I352-F367 HydrophobicContact CD1-CZ 4.33Å; N361-F367 WeakPolarHBondContact O-CE2 3.34Å; N361-F367 WeakPolarHBondContact O-CZ 3.48Å; E363-F367 WeakPolarHBondContact O-CD2 3.43Å; P364-F367 PolarHBondContact O-N 3.33Å; P364-F367 VanDerWaalsContact O-N 3.16Å; F367-A369 VanDerWaalsContact C-N 3.29Å; F367-A369 PolarHBondContact O-N 2.9Å; F367-M370 PolarHBondContact O-N 3.34Å; F367-V373 HydrophobicContact CD1-CB 3.92Å; F367-V373 HydrophobicContact CD1-CG1 4.23Å; F367-V373 HydrophobicContact CD1-CG2 3.96Å; F367-V373 HydrophobicContact CE1-CB 3.6Å; F367-V373 HydrophobicContact CE1-CG1 3.53Å; F367-V373 HydrophobicContact CE1-CG2 4.11Å; F367-V373 HydrophobicContact CE2-CG1 4.49Å; F367-V373 HydrophobicContact CG-CG2 4.49Å; F367-V373 HydrophobicContact CZ-CB 4.27Å; F367-V373 HydrophobicContact CZ-CG1 3.69Å; F367-L376 HydrophobicContact CD1-CD1 4.3Å; F367-L376 HydrophobicContact CE1-CD1 3.69Å; F367-L376 HydrophobicContact CE1-CD2 4.34Å; F367-L376 HydrophobicContact CE1-CG 4.03Å; F367-L376 HydrophobicContact CZ-CD1 4.29Å; F367-L376 HydrophobicContact CZ-CD2 4.2Å; F367-L376 HydrophobicContact CZ-CG 4.38Å; F367-M384 HydrophobicContact CB-CG 4.31Å; F367-M384 HydrophobicContact CB-SD 4.22Å; F367-M384 HydrophobicContact CD1-CG 3.94Å; F367-M384 HydrophobicContact CD1-SD 4.49Å; F367-M384 HydrophobicContact CD2-CE 3.88Å; F367-M384 HydrophobicContact CD2-CG 4.33Å; F367-M384 HydrophobicContact CD2-SD 3.84Å; F367-M384 HydrophobicContact CE1-CG 4.33Å; F367-M384 HydrophobicContact CE2-CE 3.77Å; F367-M384 HydrophobicContact CE2-SD 4.33Å; F367-M384 HydrophobicContact CG-CE 4.42Å; F367-M384 HydrophobicContact CG-CG 3.94Å; F367-M384 HydrophobicContact CG-SD 3.94Å; F367-M384 HydrophobicContact CZ-CE 4.22Å; F367-V388 HydrophobicContact CB-CG2 3.77Å
368	R	93.5	Very high	93.1	Very high	116 Å²	116	51.7 Å²	51.7	44%	0.438	24%	0.237	S	C	.	.	H	α-helix	trans	-60.9	-35.2	174.6	-176.1	170.1	158.3	-179.2	-4	113.2	N246 N249 P364 F366 V388 L392	N246-R368 PolarHBondContact ND2-O 3.25Å; N249-R368 PolarHBondContact ND2-O 2.85Å; P364-R368 PolarHBondContact O-N 3.41Å; F366-R368 PolarHBondContact O-N 3.46Å; R368-V388 HydrophobicContact CB-CG1 3.94Å; R368-V388 HydrophobicContact CG-CG1 4.31Å; R368-L392 PolarHBondContact NH1-O 3.03Å
369	A	92.3	Very high	93.4	Very high	14 Å²	14	55.1 Å²	55.1	12%	0.116	26%	0.258	C	S	.	.	H	α-helix	trans	-88.7	-22.6	-177.7	0	0	0	0	0	113.7	N249 F366 F367 L398 V400	N249-A369 PolarHBondContact ND2-O 3.47Å; F366-A369 PolarHBondContact O-N 2.87Å; F367-A369 VanDerWaalsContact C-N 3.29Å; F367-A369 PolarHBondContact O-N 2.9Å; A369-L398 HydrophobicContact CB-CB 3.73Å; A369-V400 HydrophobicContact CB-CG2 4.02Å; A369-V400 VanDerWaalsContact O-CB 3.27Å; A369-V400 WeakPolarHBondContact O-CB 3.28Å; A369-V400 WeakPolarHBondContact O-CG2 3.38Å
370	M	94.5	Very high	93.9	Very high	13 Å²	13	48.5 Å²	48.5	6%	0.064	24%	0.237	C	C	.	.			trans	-82.1	162.5	-177.3	-63.8	-62.2	140	0	0	112.1	N246 N249 K348 F366 F367 V373 V400	N246-M370 WeakPolarHBondContact CB-O 3.35Å; N249-M370 PolarHBondContact ND2-O 2.78Å; K348-M370 HydrophobicContact CD-SD 4.43Å; K348-M370 HydrophobicContact CG-CG 4.26Å; K348-M370 HydrophobicContact CG-SD 3.79Å; F366-M370 VanDerWaalsContact O-CG 3.23Å; F366-M370 WeakPolarHBondContact O-CG 3.32Å; F366-M370 PolarHBondContact O-N 3.2Å; F367-M370 PolarHBondContact O-N 3.34Å; M370-V373 HydrophobicContact CB-CG2 3.61Å; M370-V373 HydrophobicContact CG-CG2 3.92Å; M370-V400 HydrophobicContact CE-CG2 4.07Å
371	L	96.4	Very high	94.4	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-87.2	-48.3	170.5	-75.4	82	0	0	0	110	V245 N246 N249 L250 F253 H344 G346 F347 V400 L401	V245-L371 WeakPolarHBondContact CA-O 3.13Å; N246-L371 PolarHBondContact N-O 3.43Å; N249-L371 HydrophobicContact CB-CG 4.28Å; L250-L371 HydrophobicContact CD2-CB 3.91Å; L250-L371 HydrophobicContact CD2-CD2 3.72Å; L250-L371 HydrophobicContact CD2-CG 4.13Å; F253-L371 HydrophobicContact CB-CD2 4.04Å; F253-L371 HydrophobicContact CG-CD2 4.17Å; H344-L371 VanDerWaalsContact CE1-CD1 3.42Å; H344-L371 WeakPolarHBondContact CE1-CD1 3.34Å; G346-L371 PolarHBondContact O-N 3.3Å; F347-L371 HydrophobicContact CD2-CB 4.31Å; F347-L371 HydrophobicContact CD2-CD2 4.44Å; F347-L371 HydrophobicContact CE2-CB 4.09Å; F347-L371 HydrophobicContact CE2-CD2 3.63Å; F347-L371 HydrophobicContact CE2-CG 4.37Å; F347-L371 HydrophobicContact CZ-CB 4.35Å; F347-L371 HydrophobicContact CZ-CD2 4.09Å; L371-V400 HydrophobicContact CD1-CG1 4.13Å; L371-L401 HydrophobicContact CD1-CD2 4.32Å
372	V	97.3	Very high	94.8	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	136.2	-177.8	-177	0	0	0	0	110.3	F237 V243 F244 V245 G346 F347 K348	F237-V372 HydrophobicContact CE2-CG2 3.57Å; F237-V372 HydrophobicContact CZ-CG2 3.88Å; V243-V372 HydrophobicContact CB-CG1 4.11Å; V243-V372 HydrophobicContact CG1-CG1 4.34Å; V243-V372 HydrophobicContact CG2-CG1 4.25Å; F244-V372 CarbonylContact O-C 3.47Å; F244-V372 WeakPolarHBondContact O-CA 3.29Å; V245-V372 HydrophobicContact CG2-CG2 4.49Å; G346-V372 PolarHBondContact O-N 3.21Å; F347-V372 HydrophobicContact CD1-CB 3.83Å; F347-V372 HydrophobicContact CD1-CG2 3.54Å; F347-V372 HydrophobicContact CE1-CB 4.31Å; F347-V372 HydrophobicContact CE1-CG2 3.5Å; F347-V372 HydrophobicContact CG-CB 4.48Å; F347-V372 HydrophobicContact CG-CG2 4.45Å; F347-V372 HydrophobicContact CZ-CG2 4.38Å; K348-V372 PolarHBondContact N-O 2.95Å
373	V	96.4	Very high	95.2	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.012	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	122.3	174.3	-173.6	0	0	0	0	110.8	F244 K348 I352 F367 M370	F244-V373 HydrophobicContact CB-CB 4.47Å; F244-V373 PolarHBondContact N-O 3.4Å; F244-V373 PolarHBondContact O-N 3.07Å; K348-V373 HydrophobicContact CB-CG2 4.45Å; I352-V373 HydrophobicContact CD1-CG1 4.15Å; I352-V373 HydrophobicContact CD1-CG2 4.48Å; I352-V373 HydrophobicContact CG1-CG1 4.02Å; I352-V373 HydrophobicContact CG1-CG2 4.32Å; F367-V373 HydrophobicContact CD1-CB 3.92Å; F367-V373 HydrophobicContact CD1-CG1 4.23Å; F367-V373 HydrophobicContact CD1-CG2 3.96Å; F367-V373 HydrophobicContact CE1-CB 3.6Å; F367-V373 HydrophobicContact CE1-CG1 3.53Å; F367-V373 HydrophobicContact CE1-CG2 4.11Å; F367-V373 HydrophobicContact CE2-CG1 4.49Å; F367-V373 HydrophobicContact CG-CG2 4.49Å; F367-V373 HydrophobicContact CZ-CB 4.27Å; F367-V373 HydrophobicContact CZ-CG1 3.69Å; M370-V373 HydrophobicContact CB-CG2 3.61Å; M370-V373 HydrophobicContact CG-CG2 3.92Å
374	H	94.3	Very high	95.5	Very high	51 Å²	51	39.5 Å²	39.5	24%	0.236	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	130	169.6	-170.3	-92.3	0	0	0	109.9	D242 V243 K348 T349 G351	D242-H374 IonicContact OD1-CD2 3.91Å; D242-H374 PolarHBondContact OD1-CD2 2.89Å; D242-H374 VanDerWaalsContact OD1-CD2 3.29Å; D242-H374 IonicContact OD1-NE2 3.73Å; D242-H374 PolarHBondContact OD1-NE2 3.4Å; D242-H374 IonicContact OD2-CE1 3.87Å; D242-H374 IonicContact OD2-NE2 3.86Å; D242-H374 PolarHBondContact OD2-NE2 3.02Å; V243-H374 HydrophobicContact CG1-CB 4.22Å; K348-H374 PolarHBondContact O-N 3.41Å; T349-H374 WeakPolarHBondContact O-CB 3.41Å; G351-H374 VanDerWaalsContact CA-O 3.26Å; G351-H374 WeakPolarHBondContact CA-O 3.41Å; G351-H374 PolarHBondContact N-O 3.35Å
375	K	92.1	Very high	95.6	Very high	119 Å²	119	40.8 Å²	40.8	52%	0.517	21%	0.211	S	C	.	.			cis	-134.5	155.9	-3.6	51.9	171.4	-174.2	173.3	0	111.6	D242	D242-K375 HydrophobicContact CB-CB 4.31Å; D242-K375 CarbonylContact O-C 3.58Å; D242-K375 WeakPolarHBondContact O-CA 3.25Å; D242-K375 WeakPolarHBondContact O-CB 3.49Å
376	L	94.5	Very high	95.9	Very high	11 Å²	11	41.7 Å²	41.7	6%	0.058	22%	0.224	C	C	.	.			trans	-132.9	128.1	168	-63.9	-178.9	0	0	0	109.6	D242 F244 F367 E380 L381 M384	D242-L376 PolarHBondContact O-N 3.33Å; F244-L376 HydrophobicContact CB-CD1 3.92Å; F244-L376 HydrophobicContact CD2-CD1 4.13Å; F244-L376 HydrophobicContact CG-CD1 4.43Å; F367-L376 HydrophobicContact CD1-CD1 4.3Å; F367-L376 HydrophobicContact CE1-CD1 3.69Å; F367-L376 HydrophobicContact CE1-CD2 4.34Å; F367-L376 HydrophobicContact CE1-CG 4.03Å; F367-L376 HydrophobicContact CZ-CD1 4.29Å; F367-L376 HydrophobicContact CZ-CD2 4.2Å; F367-L376 HydrophobicContact CZ-CG 4.38Å; L376-E380 HydrophobicContact CB-CB 4.21Å; L376-E380 HydrophobicContact CD2-CB 3.99Å; L376-L381 HydrophobicContact CB-CB 4.05Å; L376-L381 HydrophobicContact CD1-CD1 4.32Å; L376-M384 HydrophobicContact CD1-CB 3.55Å; L376-M384 HydrophobicContact CD1-CG 3.75Å
377	L	95.8	Very high	96.1	Very high	68 Å²	68	43.5 Å²	43.5	36%	0.356	24%	0.236	S	C	.	.			trans	-77.7	165.7	170	-65.1	-177.6	0	0	0	110.7	E380 L381	L377-E380 PolarHBondContact N-OE2 3.27Å; L377-E380 VanDerWaalsContact N-OE2 3.13Å; L377-E380 CarbonylContact O-C 3.53Å; L377-E380 WeakPolarHBondContact O-CA 3.35Å; L377-E380 WeakPolarHBondContact O-CB 3.37Å; L377-E380 PolarHBondContact O-N 3.09Å; L377-L381 PolarHBondContact O-N 3.41Å
378	P	98.1	Very high	96.1	Very high	16 Å²	16	43.9 Å²	43.9	10%	0.104	24%	0.238	C	C	.	.	H	α-helix	trans	-51.1	-46.9	-168.4	-28.6	36.1	0	0	0	115.5	D148 R149 A152 E380 L381 L382	D148-P378 HydrophobicContact CB-CG 4.37Å; R149-P378 HydrophobicContact CB-CG 4.32Å; R149-P378 HydrophobicContact CG-CG 3.7Å; A152-P378 HydrophobicContact CB-CB 3.84Å; P378-E380 VanDerWaalsContact C-N 3.34Å; P378-E380 PolarHBondContact O-N 3.06Å; P378-L381 PolarHBondContact O-N 3.14Å; P378-L382 WeakPolarHBondContact O-CG 3.36Å; P378-L382 PolarHBondContact O-N 3.43Å
379	P	97.9	Very high	96.1	Very high	99 Å²	99	43 Å²	43	64%	0.643	24%	0.238	S	C	*	.	H	α-helix	trans	-65.6	-37.1	178	-20.3	34	0	0	0	112.9	A383	P379-A383 WeakPolarHBondContact O-CB 3.45Å; P379-A383 PolarHBondContact O-N 3.3Å; P379-A383 VanDerWaalsContact O-N 3.11Å
380	E	96.9	Very high	96.2	Very high	85 Å²	85	45.1 Å²	45.1	40%	0.397	25%	0.253	S	S	.	.	H	α-helix	trans	-71.3	-37.5	178.6	-56.9	176.5	132.6	0	0	111	L376 L377 P378 M384	L376-E380 HydrophobicContact CB-CB 4.21Å; L376-E380 HydrophobicContact CD2-CB 3.99Å; L377-E380 PolarHBondContact N-OE2 3.27Å; L377-E380 VanDerWaalsContact N-OE2 3.13Å; L377-E380 CarbonylContact O-C 3.53Å; L377-E380 WeakPolarHBondContact O-CA 3.35Å; L377-E380 WeakPolarHBondContact O-CB 3.37Å; L377-E380 PolarHBondContact O-N 3.09Å; P378-E380 VanDerWaalsContact C-N 3.34Å; P378-E380 PolarHBondContact O-N 3.06Å; E380-M384 WeakPolarHBondContact O-CB 3.06Å; E380-M384 PolarHBondContact O-N 3.18Å
381	L	98.1	Very high	95.9	Very high	4 Å²	4	52.7 Å²	52.7	2%	0.021	29%	0.293	C	S	.	.	H	α-helix	trans	-62.5	-51.3	176.4	175.9	59.5	0	0	0	110.7	A152 I153 F244 L376 L377 P378 A383 M384 W385	A152-L381 HydrophobicContact CB-CD2 4.12Å; I153-L381 HydrophobicContact CG1-CD2 4.2Å; F244-L381 HydrophobicContact CB-CD1 4.35Å; F244-L381 HydrophobicContact CD2-CD1 3.89Å; L376-L381 HydrophobicContact CB-CB 4.05Å; L376-L381 HydrophobicContact CD1-CD1 4.32Å; L377-L381 PolarHBondContact O-N 3.41Å; P378-L381 PolarHBondContact O-N 3.14Å; L381-A383 PolarHBondContact O-N 3.16Å; L381-M384 PolarHBondContact O-N 3.42Å; L381-W385 VanDerWaalsContact O-CB 3.23Å; L381-W385 WeakPolarHBondContact O-CB 3.32Å; L381-W385 PolarHBondContact O-N 3.35Å
382	L	98.4	Very high	95.6	Very high	70 Å²	70	54.3 Å²	54.3	37%	0.366	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-44.6	179.1	-69.7	166.4	0	0	0	111.5	A152 Q155 T156 P378 W385 G386	A152-L382 HydrophobicContact CB-CD1 4.35Å; A152-L382 HydrophobicContact CB-CD2 4.37Å; A152-L382 HydrophobicContact CB-CG 4.16Å; Q155-L382 HydrophobicContact CB-CD2 4.19Å; T156-L382 HydrophobicContact CG2-CD2 3.76Å; P378-L382 WeakPolarHBondContact O-CG 3.36Å; P378-L382 PolarHBondContact O-N 3.43Å; L382-W385 PolarHBondContact O-N 3.47Å; L382-G386 PolarHBondContact O-N 1.99Å; L382-G386 VanDerWaalsContact O-N 3.08Å
383	A	97.7	Very high	95.2	Very high	59 Å²	59	60.8 Å²	60.8	49%	0.488	34%	0.342	S	S	.	.	H	α-helix	trans	-63.9	-47.1	177.2	0	0	0	0	0	112.1	P379 L381 W385 G386 L387	P379-A383 WeakPolarHBondContact O-CB 3.45Å; P379-A383 PolarHBondContact O-N 3.3Å; P379-A383 VanDerWaalsContact O-N 3.11Å; L381-A383 PolarHBondContact O-N 3.16Å; A383-W385 VanDerWaalsContact C-N 3.34Å; A383-W385 PolarHBondContact O-N 2.93Å; A383-G386 PolarHBondContact O-N 2.95Å; A383-L387 WeakPolarHBondContact O-CG 3.38Å; A383-L387 PolarHBondContact O-N 3.17Å
384	M	97.4	Very high	94.8	Very high	12 Å²	12	62.2 Å²	62.2	6%	0.059	35%	0.351	C	S	.	.	H	α-helix	trans	-63.3	-41.1	178.1	-174.9	59.7	68.3	0	0	111.6	F244 K362 P364 F367 L376 E380 L381 G386 L387 V388	F244-M384 HydrophobicContact CD2-CG 4.17Å; F244-M384 HydrophobicContact CE2-CG 4.19Å; K362-M384 WeakPolarHBondContact O-CE 3.4Å; P364-M384 HydrophobicContact CB-SD 3.82Å; P364-M384 HydrophobicContact CG-CE 4.36Å; P364-M384 HydrophobicContact CG-SD 3.8Å; F367-M384 HydrophobicContact CB-CG 4.31Å; F367-M384 HydrophobicContact CB-SD 4.22Å; F367-M384 HydrophobicContact CD1-CG 3.94Å; F367-M384 HydrophobicContact CD1-SD 4.49Å; F367-M384 HydrophobicContact CD2-CE 3.88Å; F367-M384 HydrophobicContact CD2-CG 4.33Å; F367-M384 HydrophobicContact CD2-SD 3.84Å; F367-M384 HydrophobicContact CE1-CG 4.33Å; F367-M384 HydrophobicContact CE2-CE 3.77Å; F367-M384 HydrophobicContact CE2-SD 4.33Å; F367-M384 HydrophobicContact CG-CE 4.42Å; F367-M384 HydrophobicContact CG-CG 3.94Å; F367-M384 HydrophobicContact CG-SD 3.94Å; F367-M384 HydrophobicContact CZ-CE 4.22Å; L376-M384 HydrophobicContact CD1-CB 3.55Å; L376-M384 HydrophobicContact CD1-CG 3.75Å; E380-M384 WeakPolarHBondContact O-CB 3.06Å; E380-M384 PolarHBondContact O-N 3.18Å; L381-M384 PolarHBondContact O-N 3.42Å; M384-G386 VanDerWaalsContact C-N 3.33Å; M384-G386 PolarHBondContact O-N 3.04Å; M384-L387 PolarHBondContact O-N 3.28Å; M384-V388 HydrophobicContact CG-CG2 4.19Å; M384-V388 WeakPolarHBondContact O-CG2 3.45Å; M384-V388 PolarHBondContact O-N 3.44Å; M384-V388 HydrophobicContact SD-CG2 4.06Å
385	W	97.8	Very high	94	Very high	43 Å²	43	65.9 Å²	65.9	16%	0.163	38%	0.383	C	S	.	.	H	α-helix	trans	-58.3	-45.8	176.4	-174.1	-99.2	0	0	0	111.5	T156 W157 F244 P247 L381 L382 A383 L387 V388 H389	T156-W385 HydrophobicContact CG2-CB 3.68Å; T156-W385 HydrophobicContact CG2-CD2 3.92Å; T156-W385 HydrophobicContact CG2-CG 3.47Å; T156-W385 VanDerWaalsContact CG2-CG 3.47Å; W157-W385 HydrophobicContact CB-CE3 4.36Å; W157-W385 HydrophobicContact CB-CH2 3.98Å; W157-W385 HydrophobicContact CB-CZ3 3.61Å; F244-W385 HydrophobicContact CD2-CE3 4.48Å; F244-W385 AromaticContact CE2-CE3 3.69Å; F244-W385 HydrophobicContact CE2-CE3 3.69Å; F244-W385 HydrophobicContact CE2-CZ3 4.29Å; F244-W385 HydrophobicContact CZ-CE3 4.08Å; F244-W385 HydrophobicContact CZ-CZ3 4.29Å; P247-W385 HydrophobicContact CG-CH2 4.22Å; L381-W385 VanDerWaalsContact O-CB 3.23Å; L381-W385 WeakPolarHBondContact O-CB 3.32Å; L381-W385 PolarHBondContact O-N 3.35Å; L382-W385 PolarHBondContact O-N 3.47Å; A383-W385 VanDerWaalsContact C-N 3.34Å; A383-W385 PolarHBondContact O-N 2.93Å; W385-L387 PolarHBondContact O-N 3.39Å; W385-V388 PolarHBondContact O-N 3.44Å; W385-H389 AromaticContact CD2-CE1 3.47Å; W385-H389 VanDerWaalsContact CD2-CE1 3.47Å; W385-H389 AromaticContact CD2-ND1 3.57Å; W385-H389 AromaticContact CE2-CE1 3.44Å; W385-H389 VanDerWaalsContact CE2-CE1 3.44Å; W385-H389 AromaticContact CE2-ND1 3.6Å; W385-H389 AromaticContact CE3-CE1 3.45Å; W385-H389 VanDerWaalsContact CE3-CE1 3.45Å; W385-H389 AromaticContact CE3-ND1 3.95Å; W385-H389 AromaticContact CG-ND1 3.93Å; W385-H389 AromaticContact CH2-CE1 3.39Å; W385-H389 WeakPolarHBondContact CH2-CE1 2.99Å; W385-H389 AromaticContact CH2-NE2 3.72Å; W385-H389 AromaticContact CZ2-CE1 3.42Å; W385-H389 VanDerWaalsContact CZ2-CE1 3.42Å; W385-H389 WeakPolarHBondContact CZ2-CE1 2.91Å; W385-H389 AromaticContact CZ2-NE2 3.72Å; W385-H389 AromaticContact CZ3-CE1 3.39Å; W385-H389 WeakPolarHBondContact CZ3-CE1 3.14Å; W385-H389 AromaticContact NE1-ND1 3.94Å; W385-H389 PolarHBondContact O-N 3.24Å; W385-H389 VanDerWaalsContact O-N 3.15Å; W385-H389 PolarHBondContact O-ND1 3.31Å
386	G	97.5	Very high	92.9	Very high	44 Å²	44	70.2 Å²	70.2	45%	0.454	40%	0.396	S	S	.	.	H	α-helix	trans	-60.3	-42.7	174.7	0	0	0	0	0	112.9	L382 A383 M384 S390	L382-G386 PolarHBondContact O-N 1.99Å; L382-G386 VanDerWaalsContact O-N 3.08Å; A383-G386 PolarHBondContact O-N 2.95Å; M384-G386 VanDerWaalsContact C-N 3.33Å; M384-G386 PolarHBondContact O-N 3.04Å; G386-S390 WeakPolarHBondContact O-CB 3.28Å; G386-S390 PolarHBondContact O-N 3.36Å; G386-S390 VanDerWaalsContact O-N 3.09Å
387	L	96.2	Very high	91.4	Very high	87 Å²	87	79.5 Å²	79.5	46%	0.455	44%	0.436	S	S	.	.	H	α-helix	trans	-65.6	-48	178.1	-69.2	170.7	0	0	0	112.3	P364 A383 M384 W385 H389 S390	P364-L387 HydrophobicContact CB-CB 4.09Å; P364-L387 HydrophobicContact CG-CB 3.93Å; P364-L387 HydrophobicContact CG-CD1 3.85Å; P364-L387 HydrophobicContact CG-CG 4.48Å; A383-L387 WeakPolarHBondContact O-CG 3.38Å; A383-L387 PolarHBondContact O-N 3.17Å; M384-L387 PolarHBondContact O-N 3.28Å; W385-L387 PolarHBondContact O-N 3.39Å; L387-H389 VanDerWaalsContact C-N 3.27Å; L387-H389 PolarHBondContact O-N 3.3Å; L387-S390 PolarHBondContact O-N 3.41Å; L387-S390 PolarHBondContact O-OG 3.49Å
388	V	95.3	Very high	90.1	Very high	9 Å²	9	80.3 Å²	80.3	6%	0.055	44%	0.44	C	S	.	.	H	α-helix	trans	-62.3	-34.7	-178.2	168.8	0	0	0	0	112.1	F244 P364 F367 R368 M384 W385	F244-V388 HydrophobicContact CE2-CG2 4.37Å; F244-V388 HydrophobicContact CZ-CB 4.31Å; F244-V388 HydrophobicContact CZ-CG1 4.13Å; F244-V388 HydrophobicContact CZ-CG2 4.08Å; P364-V388 HydrophobicContact CB-CG2 4.19Å; F367-V388 HydrophobicContact CB-CG2 3.77Å; R368-V388 HydrophobicContact CB-CG1 3.94Å; R368-V388 HydrophobicContact CG-CG1 4.31Å; M384-V388 HydrophobicContact CG-CG2 4.19Å; M384-V388 WeakPolarHBondContact O-CG2 3.45Å; M384-V388 PolarHBondContact O-N 3.44Å; M384-V388 HydrophobicContact SD-CG2 4.06Å; W385-V388 PolarHBondContact O-N 3.44Å
389	H	93.9	Very high	88.4	Confident	96 Å²	96	88.7 Å²	88.7	44%	0.444	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	5.1	-178.9	-62.4	85.9	0	0	0	113.9	W385 L387	W385-H389 AromaticContact CD2-CE1 3.47Å; W385-H389 VanDerWaalsContact CD2-CE1 3.47Å; W385-H389 AromaticContact CD2-ND1 3.57Å; W385-H389 AromaticContact CE2-CE1 3.44Å; W385-H389 VanDerWaalsContact CE2-CE1 3.44Å; W385-H389 AromaticContact CE2-ND1 3.6Å; W385-H389 AromaticContact CE3-CE1 3.45Å; W385-H389 VanDerWaalsContact CE3-CE1 3.45Å; W385-H389 AromaticContact CE3-ND1 3.95Å; W385-H389 AromaticContact CG-ND1 3.93Å; W385-H389 AromaticContact CH2-CE1 3.39Å; W385-H389 WeakPolarHBondContact CH2-CE1 2.99Å; W385-H389 AromaticContact CH2-NE2 3.72Å; W385-H389 AromaticContact CZ2-CE1 3.42Å; W385-H389 VanDerWaalsContact CZ2-CE1 3.42Å; W385-H389 WeakPolarHBondContact CZ2-CE1 2.91Å; W385-H389 AromaticContact CZ2-NE2 3.72Å; W385-H389 AromaticContact CZ3-CE1 3.39Å; W385-H389 WeakPolarHBondContact CZ3-CE1 3.14Å; W385-H389 AromaticContact NE1-ND1 3.94Å; W385-H389 PolarHBondContact O-N 3.24Å; W385-H389 VanDerWaalsContact O-N 3.15Å; W385-H389 PolarHBondContact O-ND1 3.31Å; L387-H389 VanDerWaalsContact C-N 3.27Å; L387-H389 PolarHBondContact O-N 3.3Å
390	S	93	Very high	87	Confident	60 Å²	60	85.1 Å²	85.1	42%	0.42	45%	0.454	S	S	.	.	S	Bend	trans	-80.1	-176.9	169.9	74.2	0	0	0	0	111.5	G386 L387 L392	G386-S390 WeakPolarHBondContact O-CB 3.28Å; G386-S390 PolarHBondContact O-N 3.36Å; G386-S390 VanDerWaalsContact O-N 3.09Å; L387-S390 PolarHBondContact O-N 3.41Å; L387-S390 PolarHBondContact O-OG 3.49Å; S390-L392 PolarHBondContact O-N 3.3Å
391	N	89.6	Confident	85.2	Confident	171 Å²	171	86.4 Å²	86.4	91%	0.914	46%	0.463	S	S	*	.	S	Bend	trans	-72	54.8	169.9	-73.7	-18.6	0	0	0	111.9	T393	N391-T393 PolarHBondContact O-N 2.65Å
392	L	89.5	Confident	84.5	Confident	35 Å²	35	90.5 Å²	90.5	18%	0.183	49%	0.485	C	S	.	.	P	Polyproline II helix	trans	-73.1	120.3	-179.8	-178.9	72.1	0	0	0	110.1	P364 R368 S390	P364-L392 HydrophobicContact CB-CD1 4.34Å; P364-L392 HydrophobicContact CB-CD2 3.72Å; R368-L392 PolarHBondContact NH1-O 3.03Å; S390-L392 PolarHBondContact O-N 3.3Å
393	T	88.6	Confident	83.8	Confident	135 Å²	135	91.6 Å²	91.6	83%	0.828	49%	0.492	S	S	*	.	P	Polyproline II helix	trans	-98.6	116.2	173.9	-57.8	0	0	0	0	109.5	N391	N391-T393 PolarHBondContact O-N 2.65Å
394	C	88.3	Confident	83	Confident	32 Å²	32	93.4 Å²	93.4	22%	0.216	49%	0.492	C	S	.	.	P	Polyproline II helix	trans	-101.3	126.2	179.4	-62.5	0	0	0	0	110.5	C365 R396	C365-C394 WeakPolarHBondContact CA-SG 3.45Å; C365-C394 HydrophobicContact CB-CB 3.77Å; C365-C394 WeakPolarHBondContact CB-SG 3.41Å; C365-C394 WeakPolarHBondContact SG-CA 3.4Å; C365-C394 WeakPolarHBondContact SG-CB 3.32Å; C365-C394 CovalentContact SG-SG 2.04Å; C365-C394 PolarHBondContact SG-SG 3.1Å; C394-R396 PolarHBondContact O-N 2.91Å
395	S	77.1	Confident	82.2	Confident	129 Å²	129	98.2 Å²	98.2	90%	0.902	52%	0.517	S	S	*	.	S	Bend	trans	-64.9	-21.5	-177.9	57.7	0	0	0	0	113.8
396	R	69.3	Low	81.2	Confident	209 Å²	209	101.6 Å²	101.6	79%	0.789	54%	0.539	S	S	*	.	S	Bend	trans	-130.4	129.3	173	-71	-176.6	168.8	-173.5	-4	109.9	C394 L398	C394-R396 PolarHBondContact O-N 2.91Å; R396-L398 PolarHBondContact O-N 2.95Å
397	K	64.1	Low	80.1	Confident	207 Å²	207	105.5 Å²	105.5	90%	0.9	55%	0.545	S	S	*	.			trans	-79.9	106.6	165.3	-71.9	-175.5	179.6	-179.9	0	107.9
398	L	67.2	Low	78.9	Confident	84 Å²	84	106.8 Å²	106.8	44%	0.44	55%	0.551	S	S	.	*			trans	-82.1	115.2	166.5	-80	147.7	0	0	0	107.5	F366 A369 R396 V400	F366-L398 HydrophobicContact CD1-CD1 3.55Å; F366-L398 HydrophobicContact CE1-CD1 3.51Å; A369-L398 HydrophobicContact CB-CB 3.73Å; R396-L398 PolarHBondContact O-N 2.95Å; L398-V400 HydrophobicContact CB-CG2 4.25Å
399	Q	63.1	Low	77.7	Confident	192 Å²	192	114.3 Å²	114.3	90%	0.897	59%	0.59	S	S	*	*			trans	-87.5	114.9	166.3	-82.8	-178.8	-31	0	0	107.8
400	V	67.9	Low	76.3	Confident	24 Å²	24	115.8 Å²	115.8	15%	0.145	60%	0.602	C	S	.	*			trans	-115.7	-3.3	-179.1	-176.9	0	0	0	0	110.6	H344 A369 M370 L371 L398	H344-V400 PolarHBondContact CE1-O 3.47Å; H344-V400 PolarHBondContact NE2-O 3.35Å; A369-V400 HydrophobicContact CB-CG2 4.02Å; A369-V400 VanDerWaalsContact O-CB 3.27Å; A369-V400 WeakPolarHBondContact O-CB 3.28Å; A369-V400 WeakPolarHBondContact O-CG2 3.38Å; M370-V400 HydrophobicContact CE-CG2 4.07Å; L371-V400 HydrophobicContact CD1-CG1 4.13Å; L398-V400 HydrophobicContact CB-CG2 4.25Å
401	L	58.5	Low	74.8	Confident	112 Å²	112	120.9 Å²	120.9	59%	0.586	62%	0.618	S	S	*	*			trans	-101.5	0	-177.1	-65.9	170.1	0	0	0	111.3	N249 E252 F253 L371	N249-L401 HydrophobicContact CB-CD1 4.43Å; N249-L401 HydrophobicContact CB-CD2 4.19Å; N249-L401 VanDerWaalsContact O-CD2 3.26Å; N249-L401 WeakPolarHBondContact O-CD2 3.41Å; E252-L401 HydrophobicContact CB-CD1 3.78Å; E252-L401 HydrophobicContact CB-CD2 4.44Å; E252-L401 WeakPolarHBondContact OE2-CD1 3.43Å; F253-L401 HydrophobicContact CB-CD2 3.88Å; L371-L401 HydrophobicContact CD1-CD2 4.32Å

Retrieved 401 of 401 residues in 2493.1 ms (Link to these results)

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