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LARGE xylosyl- and glucuronyltransferase 2

Bifunctional glycosyltransferase with both alpha-1,3-xylosyltransferase and beta-1,3-glucuronyltransferase activities involved in the maturation of alpha-dystroglycan (DAG1) by glycosylation leading to DAG1 binding to laminin G-like domain-containing extracellular proteins with high affinity and in a phosphorylated-O-mannosyl trisaccharide dependent manner. Elongates the glucuronyl-beta-1,4-xylose-beta disaccharide primer structure by adding repeating units [-3-Xylose-alpha-1,3-GlcA-beta-1-] to produce a heteropolysaccharide. Supports the maturation of DAG1 more effectively than LARGE1. In addition, can modify both heparan sulfate (HS)- and chondroitin/dermatan sulfate (CS/DS)-proteoglycans (PGs), namely GPC4, with a glycosaminoglycan (GAG)-like polysaccharide composed of xylose and glucuronic acid to confer laminin binding.

AlphaFold DB , UniProt , Accession A0A087Y233, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 770 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.5	Very low	51.3	Low	219 Å²	219	144.8 Å²	144.8	100%	1.079	71%	0.709	S	S	*	*				0	11.4	0	-131.6	168	85.3	0	0	114.8
2	H	44.8	Very low	52.5	Low	168 Å²	168	141.8 Å²	141.8	78%	0.778	70%	0.697	S	S	*	*			trans	-102.5	-14.9	-179.5	-96.7	-70.5	0	0	0	115.2
3	L	44.2	Very low	53.9	Low	158 Å²	158	137.4 Å²	137.4	83%	0.827	68%	0.683	S	S	*	*	H	α-helix	trans	-83.3	-30.7	176.3	-93.7	90.5	0	0	0	113.8
4	L	45.5	Very low	55.1	Low	130 Å²	130	131.4 Å²	131.4	68%	0.681	67%	0.665	S	S	*	*	H	α-helix	trans	-70.7	-31	179.2	-100.4	94.4	0	0	0	113.6	R8	L4-R8 PolarHBondContact O-N 2.61Å
5	C	47.2	Very low	55.8	Low	89 Å²	89	127.1 Å²	127.1	60%	0.601	65%	0.652	S	S	*	*	H	α-helix	trans	-73.8	-30.2	179.1	-76.1	0	0	0	0	113.3	L9	C5-L9 PolarHBondContact O-N 3.4Å; C5-L9 VanDerWaalsContact O-N 3.15Å
6	R	49.6	Very low	56.4	Low	197 Å²	197	125.9 Å²	125.9	74%	0.743	65%	0.647	S	S	*	*	H	α-helix	trans	-71.5	-33.8	177.6	-91.3	-179.9	159.6	176.5	-4.7	112.8	K10	R6-K10 WeakPolarHBondContact O-CG 3.45Å; R6-K10 PolarHBondContact O-N 3.18Å
7	G	50.5	Low	57.1	Low	39 Å²	39	122.9 Å²	122.9	40%	0.402	64%	0.636	S	S	.	*	H	α-helix	trans	-68	-41.7	175.7	0	0	0	0	0	112.7	K10 L11	G7-K10 PolarHBondContact O-N 3.4Å; G7-L11 PolarHBondContact O-N 3.46Å
8	R	53.8	Low	57.9	Low	188 Å²	188	118.6 Å²	118.6	71%	0.709	62%	0.621	S	S	*	*	H	α-helix	trans	-70	-37	178.4	-70.9	-174.7	176.8	-173.4	-1.2	113	L4 L11 L12	L4-R8 PolarHBondContact O-N 2.61Å; R8-L11 PolarHBondContact O-N 3.22Å; R8-L12 WeakPolarHBondContact O-CB 3.32Å; R8-L12 PolarHBondContact O-N 3.19Å
9	L	56.7	Low	58.6	Low	118 Å²	118	117.2 Å²	117.2	62%	0.618	62%	0.618	S	S	*	*	H	α-helix	trans	-66.8	-39.7	175.2	-166.7	72.3	0	0	0	111.8	C5 L12 V13	C5-L9 PolarHBondContact O-N 3.4Å; C5-L9 VanDerWaalsContact O-N 3.15Å; L9-L12 PolarHBondContact O-N 3.09Å; L9-V13 WeakPolarHBondContact O-CB 3.46Å; L9-V13 VanDerWaalsContact O-CG2 3.25Å; L9-V13 WeakPolarHBondContact O-CG2 3.23Å; L9-V13 PolarHBondContact O-N 3.36Å
10	K	60	Low	59.1	Low	162 Å²	162	115.2 Å²	115.2	70%	0.704	61%	0.61	S	S	*	*	H	α-helix	trans	-65.3	-38.7	175	-74.9	-177	177.6	-169.5	0	112.4	R6 G7 A14	R6-K10 WeakPolarHBondContact O-CG 3.45Å; R6-K10 PolarHBondContact O-N 3.18Å; G7-K10 PolarHBondContact O-N 3.4Å; K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.45Å
11	L	65	Low	59.3	Low	125 Å²	125	114.9 Å²	114.9	65%	0.654	61%	0.609	S	S	*	*	H	α-helix	trans	-66.1	-40.6	174.8	-122.8	110.6	0	0	0	111.8	G7 R8 A14 S15	G7-L11 PolarHBondContact O-N 3.46Å; R8-L11 PolarHBondContact O-N 3.22Å; L11-A14 PolarHBondContact O-N 3.06Å; L11-S15 WeakPolarHBondContact O-CB 3.3Å; L11-S15 PolarHBondContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3Å
12	L	65.3	Low	60.2	Low	109 Å²	109	110 Å²	110	57%	0.571	59%	0.586	S	S	*	*	H	α-helix	trans	-71.6	-38.1	-178	-143.8	144.6	0	0	0	111.8	R8 L9 L16	R8-L12 WeakPolarHBondContact O-CB 3.32Å; R8-L12 PolarHBondContact O-N 3.19Å; L9-L12 PolarHBondContact O-N 3.09Å; L12-L16 HydrophobicContact CD2-CD1 3.86Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.42Å
13	V	70.8	Confident	60.9	Low	84 Å²	84	105.4 Å²	105.4	51%	0.509	57%	0.57	S	S	.	*	H	α-helix	trans	-66.2	-43.6	171.5	173.8	0	0	0	0	110.6	L9 S15 L16 T17	L9-V13 WeakPolarHBondContact O-CB 3.46Å; L9-V13 VanDerWaalsContact O-CG2 3.25Å; L9-V13 WeakPolarHBondContact O-CG2 3.23Å; L9-V13 PolarHBondContact O-N 3.36Å; V13-S15 PolarHBondContact O-N 3.17Å; V13-L16 PolarHBondContact O-N 3.41Å; V13-T17 PolarHBondContact O-N 3.06Å; V13-T17 PolarHBondContact O-OG1 3.23Å
14	A	70.6	Confident	61.3	Low	53 Å²	53	105.8 Å²	105.8	44%	0.438	56%	0.561	S	S	.	*	H	α-helix	trans	-61.3	-42.6	176.6	0	0	0	0	0	112.2	K10 L11 T17 A18	K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.45Å; L11-A14 PolarHBondContact O-N 3.06Å; A14-T17 VanDerWaalsContact CA-OG1 3.27Å; A14-T17 WeakPolarHBondContact CA-OG1 3.44Å; A14-T17 PolarHBondContact O-N 3.2Å; A14-T17 PolarHBondContact O-OG1 2.76Å; A14-A18 WeakPolarHBondContact O-CB 3.2Å; A14-A18 PolarHBondContact O-N 3.13Å
15	S	65.8	Low	61.6	Low	67 Å²	67	104.7 Å²	104.7	47%	0.469	56%	0.555	S	S	.	*	H	α-helix	trans	-65.3	-41.7	175.6	-61	0	0	0	0	112.2	L11 V13 A18 V19	L11-S15 WeakPolarHBondContact O-CB 3.3Å; L11-S15 PolarHBondContact O-N 3.16Å; L11-S15 PolarHBondContact O-OG 3Å; V13-S15 PolarHBondContact O-N 3.17Å; S15-A18 PolarHBondContact O-N 3.37Å; S15-V19 VanDerWaalsContact O-CG2 3.3Å; S15-V19 WeakPolarHBondContact O-CG2 3.47Å; S15-V19 PolarHBondContact O-N 3.34Å
16	L	64.7	Low	61.7	Low	108 Å²	108	109.4 Å²	109.4	57%	0.565	56%	0.561	S	S	*	*	H	α-helix	trans	-65.6	-41.7	175.7	-114	111.6	0	0	0	111.7	L12 V13 A18 V19 V20	L12-L16 HydrophobicContact CD2-CD1 3.86Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 PolarHBondContact O-N 3.42Å; V13-L16 PolarHBondContact O-N 3.41Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.81Å; L16-V19 PolarHBondContact O-N 2.88Å; L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.07Å
17	T	68.8	Low	61.4	Low	75 Å²	75	105.2 Å²	105.2	46%	0.46	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-35.5	175.7	46.1	0	0	0	0	112.2	V13 A14 V20 L21	V13-T17 PolarHBondContact O-N 3.06Å; V13-T17 PolarHBondContact O-OG1 3.23Å; A14-T17 VanDerWaalsContact CA-OG1 3.27Å; A14-T17 WeakPolarHBondContact CA-OG1 3.44Å; A14-T17 PolarHBondContact O-N 3.2Å; A14-T17 PolarHBondContact O-OG1 2.76Å; T17-V20 PolarHBondContact O-N 3.03Å; T17-L21 VanDerWaalsContact O-CB 3.3Å; T17-L21 WeakPolarHBondContact O-CB 3.34Å; T17-L21 PolarHBondContact O-N 3.24Å
18	A	71.2	Confident	60.9	Low	45 Å²	45	107.5 Å²	107.5	37%	0.372	56%	0.556	S	S	.	*	H	α-helix	trans	-68.4	-39.7	175.1	0	0	0	0	0	111.9	A14 S15 L16 L21 L22	A14-A18 WeakPolarHBondContact O-CB 3.2Å; A14-A18 PolarHBondContact O-N 3.13Å; S15-A18 PolarHBondContact O-N 3.37Å; L16-A18 VanDerWaalsContact C-N 3.32Å; L16-A18 PolarHBondContact O-N 2.81Å; A18-L21 PolarHBondContact O-N 2.88Å; A18-L22 VanDerWaalsContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CB 3.2Å; A18-L22 WeakPolarHBondContact O-CD1 3.46Å; A18-L22 WeakPolarHBondContact O-CG 3.46Å; A18-L22 PolarHBondContact O-N 3.26Å
19	V	71.6	Confident	60.4	Low	92 Å²	92	101.3 Å²	101.3	56%	0.558	55%	0.545	S	S	*	.	H	α-helix	trans	-65.4	-41.5	175.1	170.6	0	0	0	0	111	S15 L16 L22 T23	S15-V19 VanDerWaalsContact O-CG2 3.3Å; S15-V19 WeakPolarHBondContact O-CG2 3.47Å; S15-V19 PolarHBondContact O-N 3.34Å; L16-V19 PolarHBondContact O-N 2.88Å; V19-L22 PolarHBondContact O-N 3.35Å; V19-T23 PolarHBondContact O-N 2.88Å; V19-T23 PolarHBondContact O-OG1 2.99Å
20	V	69.6	Low	59.4	Low	77 Å²	77	97.4 Å²	97.4	47%	0.467	53%	0.533	S	S	.	.	H	α-helix	trans	-66.3	-41.2	175.7	173.3	0	0	0	0	111.3	L16 T17 T23 W24	L16-V20 VanDerWaalsContact O-CG2 3.28Å; L16-V20 WeakPolarHBondContact O-CG2 3.44Å; L16-V20 PolarHBondContact O-N 3.07Å; T17-V20 PolarHBondContact O-N 3.03Å; V20-T23 VanDerWaalsContact CA-OG1 3.31Å; V20-T23 WeakPolarHBondContact CA-OG1 3.41Å; V20-T23 PolarHBondContact O-N 3.05Å; V20-T23 PolarHBondContact O-OG1 2.84Å; V20-W24 WeakPolarHBondContact O-CB 3.35Å; V20-W24 PolarHBondContact O-N 2.69Å
21	L	63.4	Low	58.3	Low	110 Å²	110	95.5 Å²	95.5	58%	0.576	53%	0.531	S	S	*	.	H	α-helix	trans	-66	-39.9	175	-90.6	157.3	0	0	0	112.4	T17 A18 W24 L25	T17-L21 VanDerWaalsContact O-CB 3.3Å; T17-L21 WeakPolarHBondContact O-CB 3.34Å; T17-L21 PolarHBondContact O-N 3.24Å; A18-L21 PolarHBondContact O-N 2.88Å; L21-W24 PolarHBondContact O-N 3.33Å; L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 2.97Å
22	L	65.7	Low	56.7	Low	117 Å²	117	96.6 Å²	96.6	61%	0.613	54%	0.536	S	S	*	.	H	α-helix	trans	-70.2	-36.8	176.4	-79.6	161.5	0	0	0	112	A18 V19 L25 Y26	A18-L22 VanDerWaalsContact O-CB 3.28Å; A18-L22 WeakPolarHBondContact O-CB 3.2Å; A18-L22 WeakPolarHBondContact O-CD1 3.46Å; A18-L22 WeakPolarHBondContact O-CG 3.46Å; A18-L22 PolarHBondContact O-N 3.26Å; V19-L22 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 3.38Å; L22-Y26 VanDerWaalsContact O-CB 3.22Å; L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 2.89Å
23	T	59.7	Low	55.2	Low	71 Å²	71	99.9 Å²	99.9	44%	0.436	55%	0.548	S	S	.	.	H	α-helix	trans	-70.2	-36.3	172.1	30.5	0	0	0	0	111.9	V19 V20 Y26 L27	V19-T23 PolarHBondContact O-N 2.88Å; V19-T23 PolarHBondContact O-OG1 2.99Å; V20-T23 VanDerWaalsContact CA-OG1 3.31Å; V20-T23 WeakPolarHBondContact CA-OG1 3.41Å; V20-T23 PolarHBondContact O-N 3.05Å; V20-T23 PolarHBondContact O-OG1 2.84Å; T23-Y26 PolarHBondContact O-N 3.3Å; T23-L27 WeakPolarHBondContact O-CB 3.28Å; T23-L27 WeakPolarHBondContact O-CD1 3.38Å; T23-L27 WeakPolarHBondContact O-CG 3.48Å; T23-L27 PolarHBondContact O-N 3.24Å
24	W	51.7	Low	53.4	Low	166 Å²	166	101.9 Å²	101.9	63%	0.629	56%	0.556	S	S	*	*	H	α-helix	trans	-65.7	-41.7	171.4	-103.2	72.5	0	0	0	112.6	V20 L21 Y26 L27 L28	V20-W24 WeakPolarHBondContact O-CB 3.35Å; V20-W24 PolarHBondContact O-N 2.69Å; L21-W24 PolarHBondContact O-N 3.33Å; W24-Y26 VanDerWaalsContact C-N 3.34Å; W24-L27 PolarHBondContact O-N 3.32Å; W24-L28 HydrophobicContact CE3-CD1 3.92Å; W24-L28 HydrophobicContact CZ3-CD1 4.45Å; W24-L28 VanDerWaalsContact O-CB 3.32Å; W24-L28 WeakPolarHBondContact O-CB 3.5Å; W24-L28 WeakPolarHBondContact O-CG 3.44Å; W24-L28 PolarHBondContact O-N 3.14Å
25	L	52	Low	51.5	Low	106 Å²	106	103.2 Å²	103.2	56%	0.555	58%	0.575	S	S	*	*	H	α-helix	trans	-66.2	-36.2	174.1	-82.4	161	0	0	0	111.9	L21 L22 L28 A29	L21-L25 WeakPolarHBondContact O-CB 3.27Å; L21-L25 WeakPolarHBondContact O-CG 3.43Å; L21-L25 PolarHBondContact O-N 2.97Å; L22-L25 PolarHBondContact O-N 3.38Å; L25-L28 PolarHBondContact O-N 2.62Å; L25-A29 VanDerWaalsContact O-CB 3.22Å; L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 3.12Å
26	Y	48.9	Very low	49.8	Very low	188 Å²	188	110.5 Å²	110.5	74%	0.737	59%	0.592	S	S	*	*	H	α-helix	trans	-68.8	-37.8	174.5	-166.8	-97.4	0	0	0	112	L22 T23 W24 G30	L22-Y26 VanDerWaalsContact O-CB 3.22Å; L22-Y26 WeakPolarHBondContact O-CB 3.36Å; L22-Y26 PolarHBondContact O-N 2.89Å; T23-Y26 PolarHBondContact O-N 3.3Å; W24-Y26 VanDerWaalsContact C-N 3.34Å; Y26-G30 PolarHBondContact O-N 3.38Å
27	L	43.2	Very low	47.9	Very low	109 Å²	109	110 Å²	110	57%	0.571	60%	0.598	S	S	*	*	H	α-helix	trans	-72.2	-32.4	173.8	-72.2	166.6	0	0	0	112.5	T23 W24 N31	T23-L27 WeakPolarHBondContact O-CB 3.28Å; T23-L27 WeakPolarHBondContact O-CD1 3.38Å; T23-L27 WeakPolarHBondContact O-CG 3.48Å; T23-L27 PolarHBondContact O-N 3.24Å; W24-L27 PolarHBondContact O-N 3.32Å; L27-N31 WeakPolarHBondContact O-CB 3.35Å; L27-N31 PolarHBondContact O-N 2.98Å; L27-N31 VanDerWaalsContact O-N 3.1Å; L27-N31 PolarHBondContact O-ND2 2.87Å
28	L	40.9	Very low	46.2	Very low	88 Å²	88	115 Å²	115	46%	0.461	62%	0.621	S	S	.	*	H	α-helix	trans	-74	-39.2	173.6	-85.4	158.7	0	0	0	112.2	W24 L25 N31 L32	W24-L28 HydrophobicContact CE3-CD1 3.92Å; W24-L28 HydrophobicContact CZ3-CD1 4.45Å; W24-L28 VanDerWaalsContact O-CB 3.32Å; W24-L28 WeakPolarHBondContact O-CB 3.5Å; W24-L28 WeakPolarHBondContact O-CG 3.44Å; W24-L28 PolarHBondContact O-N 3.14Å; L25-L28 PolarHBondContact O-N 2.62Å; L28-N31 PolarHBondContact O-N 3.12Å; L28-L32 PolarHBondContact O-N 3.43Å
29	A	42.9	Very low	44.1	Very low	58 Å²	58	119.8 Å²	119.8	48%	0.479	64%	0.64	S	S	.	*	H	α-helix	trans	-69.2	-40.4	173.7	0	0	0	0	0	111.6	L25 N31 L32 E33	L25-A29 VanDerWaalsContact O-CB 3.22Å; L25-A29 WeakPolarHBondContact O-CB 3.3Å; L25-A29 PolarHBondContact O-N 3.12Å; A29-N31 PolarHBondContact O-N 2.66Å; A29-L32 PolarHBondContact O-N 2.84Å; A29-E33 PolarHBondContact O-N 3.23Å
30	G	35.9	Very low	42.1	Very low	36 Å²	36	123.8 Å²	123.8	37%	0.371	66%	0.657	S	S	.	*	H	α-helix	trans	-66.4	-21.2	172.8	0	0	0	0	0	114.1	Y26	Y26-G30 PolarHBondContact O-N 3.38Å
31	N	35.9	Very low	40.2	Very low	122 Å²	122	124.4 Å²	124.4	65%	0.652	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-10.9	170.9	-86.8	-21.1	0	0	0	113.7	L27 L28 A29	L27-N31 WeakPolarHBondContact O-CB 3.35Å; L27-N31 PolarHBondContact O-N 2.98Å; L27-N31 VanDerWaalsContact O-N 3.1Å; L27-N31 PolarHBondContact O-ND2 2.87Å; L28-N31 PolarHBondContact O-N 3.12Å; A29-N31 PolarHBondContact O-N 2.66Å
32	L	32.7	Very low	38.5	Very low	147 Å²	147	124.3 Å²	124.3	77%	0.77	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-22.7	174	-112.9	88.9	0	0	0	113.1	L28 A29	L28-L32 PolarHBondContact O-N 3.43Å; A29-L32 PolarHBondContact O-N 2.84Å
33	E	32.8	Very low	37	Very low	178 Å²	178	125 Å²	125	83%	0.832	69%	0.69	S	S	*	*	S	Bend	trans	-83.6	-13.6	173.5	-78.9	-176.4	158.7	0	0	113.7	A29	A29-E33 PolarHBondContact O-N 3.23Å
34	N	32.8	Very low	35.6	Very low	126 Å²	126	129 Å²	129	67%	0.674	71%	0.707	S	S	*	*	S	Bend	trans	-112.9	79.4	170.5	-85.4	-31.2	0	0	0	109.9	R36	N34-R36 PolarHBondContact O-N 3.03Å
35	G	31.2	Very low	34.7	Very low	81 Å²	81	125.9 Å²	125.9	84%	0.835	71%	0.709	S	S	*	*			trans	-65	70.4	173.5	0	0	0	0	0	113.3
36	R	30.6	Very low	34.3	Very low	220 Å²	220	128.8 Å²	128.8	83%	0.83	73%	0.725	S	S	*	*			trans	-107.3	91.9	162.5	-79.9	-172.3	177.1	179.8	2.8	108.8	N34 L38	N34-R36 PolarHBondContact O-N 3.03Å; R36-L38 PolarHBondContact O-N 2.97Å
37	S	25.2	Very low	33.9	Very low	99 Å²	99	123.4 Å²	123.4	69%	0.692	71%	0.711	S	S	*	*			trans	-72.5	109.5	161.3	-167.2	0	0	0	0	108.2	L39	S37-L39 PolarHBondContact O-N 3.03Å; S37-L39 WeakPolarHBondContact OG-CG 3.35Å
38	L	31.8	Very low	33.6	Very low	178 Å²	178	123 Å²	123	93%	0.932	72%	0.716	S	S	*	*			trans	-70.2	81.6	159.4	-86.8	154.8	0	0	0	107.6	R36	R36-L38 PolarHBondContact O-N 2.97Å
39	L	27	Very low	33.2	Very low	147 Å²	147	122.1 Å²	122.1	77%	0.77	72%	0.721	S	S	*	*			trans	-102	115.9	162.4	-80.3	167.3	0	0	0	108	S37 A41	S37-L39 PolarHBondContact O-N 3.03Å; S37-L39 WeakPolarHBondContact OG-CG 3.35Å; L39-A41 PolarHBondContact O-N 3.48Å
40	L	30.1	Very low	32.9	Very low	175 Å²	175	121.7 Å²	121.7	92%	0.916	72%	0.717	S	S	*	*			trans	-41.6	118.1	167.1	-75	144.1	0	0	0	110.3
41	A	29.3	Very low	32.9	Very low	90 Å²	90	126.8 Å²	126.8	74%	0.744	73%	0.731	S	S	*	*			trans	-84	127	161.3	0	0	0	0	0	108.1	L39	L39-A41 PolarHBondContact O-N 3.48Å
42	P	28.8	Very low	33.1	Very low	108 Å²	108	125.8 Å²	125.8	70%	0.701	73%	0.729	S	S	*	*			trans	-70.1	146.9	176.3	29.6	-32.2	0	0	0	110.2	L44	P42-L44 PolarHBondContact O-N 3.01Å
43	C	33.7	Very low	33.2	Very low	133 Å²	133	124.4 Å²	124.4	90%	0.899	72%	0.722	S	S	*	*			trans	-43.8	120.2	176.4	-57.5	0	0	0	0	111.8
44	L	30.5	Very low	33.6	Very low	154 Å²	154	122.3 Å²	122.3	81%	0.806	71%	0.712	S	S	*	*			trans	-121.3	136.1	166.7	-74.7	170.6	0	0	0	108.9	P42	P42-L44 PolarHBondContact O-N 3.01Å
45	P	32.5	Very low	34	Very low	101 Å²	101	125 Å²	125	66%	0.656	71%	0.713	S	S	*	*			trans	-74.4	156.9	-178.5	30.4	-32.8	0	0	0	112.2	T47	P45-T47 PolarHBondContact O-N 3.05Å; P45-T47 PolarHBondContact O-OG1 3.42Å; P45-T47 VanDerWaalsContact O-OG1 3.14Å
46	D	44.3	Very low	34.3	Very low	167 Å²	167	123.1 Å²	123.1	89%	0.893	69%	0.69	S	S	*	*	S	Bend	trans	-41.7	103.7	177.4	-85.2	-36.9	0	0	0	112.8
47	T	39.8	Very low	34.9	Very low	74 Å²	74	116.3 Å²	116.3	45%	0.454	67%	0.672	S	S	.	*			trans	-138	157.7	173.9	43	0	0	0	0	109.1	P45 A49 A50	P45-T47 PolarHBondContact O-N 3.05Å; P45-T47 PolarHBondContact O-OG1 3.42Å; P45-T47 VanDerWaalsContact O-OG1 3.14Å; T47-A49 PolarHBondContact O-N 3Å; T47-A50 WeakPolarHBondContact O-CB 3.39Å; T47-A50 PolarHBondContact O-N 3.42Å
48	P	36.4	Very low	35.6	Very low	102 Å²	102	117.2 Å²	117.2	66%	0.662	67%	0.669	S	S	*	*	H	α-helix	trans	-52.6	-18.6	-179.9	-26.4	33.7	0	0	0	114.9	V52	P48-V52 WeakPolarHBondContact O-CG2 3.23Å; P48-V52 PolarHBondContact O-N 3.12Å
49	A	33.8	Very low	36.2	Very low	68 Å²	68	113 Å²	113	56%	0.562	65%	0.645	S	S	*	*	H	α-helix	trans	-69	-29	174.8	0	0	0	0	0	113.9	T47 V52 L53	T47-A49 PolarHBondContact O-N 3Å; A49-V52 PolarHBondContact O-N 3.15Å; A49-L53 PolarHBondContact O-N 3.29Å
50	A	35.9	Very low	36.8	Very low	49 Å²	49	109.4 Å²	109.4	41%	0.405	63%	0.632	S	S	.	*	H	α-helix	trans	-71	-40.1	177.3	0	0	0	0	0	111.8	T47 V52 L53 E54	T47-A50 WeakPolarHBondContact O-CB 3.39Å; T47-A50 PolarHBondContact O-N 3.42Å; A50-V52 VanDerWaalsContact C-N 3.29Å; A50-V52 PolarHBondContact O-N 3.5Å; A50-L53 WeakPolarHBondContact O-CB 3.46Å; A50-L53 PolarHBondContact O-N 2.88Å; A50-L53 VanDerWaalsContact O-N 3.15Å; A50-E54 PolarHBondContact O-N 3.11Å
51	Q	35.9	Very low	37.5	Very low	144 Å²	144	108.3 Å²	108.3	67%	0.673	62%	0.615	S	S	*	*	H	α-helix	trans	-66	-31.2	172.9	-70.3	177.6	-17.3	0	0	112.4	R55	Q51-R55 WeakPolarHBondContact O-CB 3.35Å; Q51-R55 PolarHBondContact O-N 3.3Å
52	V	39.9	Very low	38.2	Very low	101 Å²	101	107.3 Å²	107.3	61%	0.612	60%	0.6	S	S	*	*	H	α-helix	trans	-70.4	-36.3	172.4	172.4	0	0	0	0	111.2	P48 A49 A50 A56	P48-V52 WeakPolarHBondContact O-CG2 3.23Å; P48-V52 PolarHBondContact O-N 3.12Å; A49-V52 PolarHBondContact O-N 3.15Å; A50-V52 VanDerWaalsContact C-N 3.29Å; A50-V52 PolarHBondContact O-N 3.5Å; V52-A56 VanDerWaalsContact O-CB 3.29Å; V52-A56 WeakPolarHBondContact O-CB 3.48Å; V52-A56 PolarHBondContact O-N 3.07Å
53	L	35.7	Very low	39.1	Very low	117 Å²	117	109.5 Å²	109.5	61%	0.613	59%	0.594	S	S	*	*	H	α-helix	trans	-69.4	-39.9	177.7	-171.3	66.6	0	0	0	112	A49 A50 A56 V57	A49-L53 PolarHBondContact O-N 3.29Å; A50-L53 WeakPolarHBondContact O-CB 3.46Å; A50-L53 PolarHBondContact O-N 2.88Å; A50-L53 VanDerWaalsContact O-N 3.15Å; L53-A56 CarbonylContact O-C 3.57Å; L53-A56 WeakPolarHBondContact O-CB 3.49Å; L53-A56 PolarHBondContact O-N 3.27Å; L53-V57 WeakPolarHBondContact O-CG2 3.26Å; L53-V57 PolarHBondContact O-N 3.36Å
54	E	41.2	Very low	39.8	Very low	134 Å²	134	108.2 Å²	108.2	63%	0.626	58%	0.575	S	S	*	*	H	α-helix	trans	-65.5	-41.2	175.9	-162.2	179	-178	0	0	111.8	A50 A56 V57 L58	A50-E54 PolarHBondContact O-N 3.11Å; E54-A56 VanDerWaalsContact C-N 3.31Å; E54-A56 PolarHBondContact O-N 3.34Å; E54-V57 PolarHBondContact O-N 2.75Å; E54-L58 PolarHBondContact O-N 3.31Å
55	R	40.3	Very low	40.7	Very low	182 Å²	182	101.5 Å²	101.5	69%	0.687	54%	0.54	S	S	*	.	H	α-helix	trans	-62.5	-38.3	170.9	-147.9	175.3	-160.5	166.9	4.5	111.7	Q51 L58 E59	Q51-R55 WeakPolarHBondContact O-CB 3.35Å; Q51-R55 PolarHBondContact O-N 3.3Å; R55-L58 PolarHBondContact O-N 2.74Å; R55-E59 WeakPolarHBondContact O-CB 3.34Å; R55-E59 VanDerWaalsContact O-CG 3.3Å; R55-E59 WeakPolarHBondContact O-CG 3.31Å; R55-E59 PolarHBondContact O-N 2.8Å
56	A	37	Very low	41.5	Very low	43 Å²	43	102.4 Å²	102.4	36%	0.355	54%	0.536	S	S	.	.	H	α-helix	trans	-70.3	-33.1	176.1	0	0	0	0	0	113.1	V52 L53 E54 S60	V52-A56 VanDerWaalsContact O-CB 3.29Å; V52-A56 WeakPolarHBondContact O-CB 3.48Å; V52-A56 PolarHBondContact O-N 3.07Å; L53-A56 CarbonylContact O-C 3.57Å; L53-A56 WeakPolarHBondContact O-CB 3.49Å; L53-A56 PolarHBondContact O-N 3.27Å; E54-A56 VanDerWaalsContact C-N 3.31Å; E54-A56 PolarHBondContact O-N 3.34Å; A56-S60 VanDerWaalsContact O-CB 3.22Å; A56-S60 WeakPolarHBondContact O-CB 3.48Å; A56-S60 PolarHBondContact O-N 3.27Å
57	V	43.8	Very low	41.8	Very low	76 Å²	76	98 Å²	98	46%	0.461	51%	0.51	S	S	.	.	H	α-helix	trans	-69.8	-40.9	173	170.6	0	0	0	0	110.5	L53 E54 S60 R61	L53-V57 WeakPolarHBondContact O-CG2 3.26Å; L53-V57 PolarHBondContact O-N 3.36Å; E54-V57 PolarHBondContact O-N 2.75Å; V57-S60 PolarHBondContact O-N 2.85Å; V57-R61 WeakPolarHBondContact O-CG 3.3Å; V57-R61 PolarHBondContact O-N 3.25Å
58	L	40.7	Very low	42.3	Very low	119 Å²	119	99.2 Å²	99.2	62%	0.623	51%	0.51	S	S	*	.	H	α-helix	trans	-63.4	-46.4	173.2	-152	84.8	0	0	0	111	E54 R55 S60 R61 V62	E54-L58 PolarHBondContact O-N 3.31Å; R55-L58 PolarHBondContact O-N 2.74Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.47Å; L58-R61 PolarHBondContact O-N 2.94Å; L58-V62 WeakPolarHBondContact O-CB 3.42Å; L58-V62 VanDerWaalsContact O-CG2 3.27Å; L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 2.88Å
59	E	42.8	Very low	42.9	Very low	90 Å²	90	95.5 Å²	95.5	42%	0.421	49%	0.485	S	S	.	.	H	α-helix	trans	-62.2	-38.1	174.1	-79.1	179.7	-162.3	0	0	112.6	R55 V62 R63	R55-E59 WeakPolarHBondContact O-CB 3.34Å; R55-E59 VanDerWaalsContact O-CG 3.3Å; R55-E59 WeakPolarHBondContact O-CG 3.31Å; R55-E59 PolarHBondContact O-N 2.8Å; E59-V62 PolarHBondContact O-N 3.11Å; E59-R63 WeakPolarHBondContact O-CB 3.41Å; E59-R63 VanDerWaalsContact O-CG 3.31Å; E59-R63 WeakPolarHBondContact O-CG 3.19Å; E59-R63 PolarHBondContact O-N 2.99Å; E59-R63 IonicContact OE2-NH2 2.94Å; E59-R63 PolarHBondContact OE2-NH2 3.05Å
60	S	40.9	Very low	44	Very low	71 Å²	71	99.4 Å²	99.4	50%	0.497	49%	0.485	S	S	.	.	H	α-helix	trans	-65.1	-39.7	176.4	-175.9	0	0	0	0	111.5	A56 V57 L58 R63 E64	A56-S60 VanDerWaalsContact O-CB 3.22Å; A56-S60 WeakPolarHBondContact O-CB 3.48Å; A56-S60 PolarHBondContact O-N 3.27Å; V57-S60 PolarHBondContact O-N 2.85Å; L58-S60 VanDerWaalsContact C-N 3.34Å; L58-S60 PolarHBondContact O-N 3.47Å; S60-R63 PolarHBondContact O-N 2.79Å; S60-E64 WeakPolarHBondContact O-CB 3.39Å; S60-E64 PolarHBondContact O-N 3.36Å
61	R	44.6	Very low	44.9	Very low	152 Å²	152	100.7 Å²	100.7	57%	0.574	48%	0.482	S	S	*	.	H	α-helix	trans	-73.5	-33.2	176.1	-77.4	177.6	149.8	177.7	-2.5	112.9	V57 L58 V65	V57-R61 WeakPolarHBondContact O-CG 3.3Å; V57-R61 PolarHBondContact O-N 3.25Å; L58-R61 PolarHBondContact O-N 2.94Å; R61-V65 PolarHBondContact O-N 2.94Å
62	V	44.1	Very low	45.7	Very low	68 Å²	68	95.8 Å²	95.8	41%	0.412	46%	0.461	S	S	.	.	H	α-helix	trans	-64	-47.7	170	168.8	0	0	0	0	109.4	L58 E59 E64 V65 E66	L58-V62 WeakPolarHBondContact O-CB 3.42Å; L58-V62 VanDerWaalsContact O-CG2 3.27Å; L58-V62 WeakPolarHBondContact O-CG2 3.28Å; L58-V62 PolarHBondContact O-N 2.88Å; E59-V62 PolarHBondContact O-N 3.11Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 3.31Å; V62-V65 PolarHBondContact O-N 2.93Å; V62-E66 HydrophobicContact CG1-CG 4.15Å; V62-E66 WeakPolarHBondContact O-CB 3.38Å; V62-E66 VanDerWaalsContact O-CG 3.3Å; V62-E66 WeakPolarHBondContact O-CG 3.49Å; V62-E66 PolarHBondContact O-N 3.15Å
63	R	48	Very low	46.3	Very low	155 Å²	155	96.4 Å²	96.4	59%	0.585	46%	0.455	S	S	*	.	H	α-helix	trans	-61.6	-38.5	175.3	-75.2	-179.3	-142.3	173.7	7.4	112.9	E59 S60 V65 E67	E59-R63 WeakPolarHBondContact O-CB 3.41Å; E59-R63 VanDerWaalsContact O-CG 3.31Å; E59-R63 WeakPolarHBondContact O-CG 3.19Å; E59-R63 PolarHBondContact O-N 2.99Å; E59-R63 IonicContact OE2-NH2 2.94Å; E59-R63 PolarHBondContact OE2-NH2 3.05Å; S60-R63 PolarHBondContact O-N 2.79Å; R63-V65 VanDerWaalsContact C-N 3.34Å; R63-V65 PolarHBondContact O-N 3.5Å; R63-E67 WeakPolarHBondContact O-CB 3.34Å; R63-E67 PolarHBondContact O-N 3.1Å
64	E	46.9	Very low	47	Very low	106 Å²	106	93.6 Å²	93.6	50%	0.495	44%	0.44	S	S	.	.	H	α-helix	trans	-62.1	-41.2	177.3	-173	176.5	-164.7	0	0	111.5	S60 V62 E67 E68	S60-E64 WeakPolarHBondContact O-CB 3.39Å; S60-E64 PolarHBondContact O-N 3.36Å; V62-E64 VanDerWaalsContact C-N 3.34Å; V62-E64 PolarHBondContact O-N 3.31Å; E64-E67 CarbonylContact O-C 3.55Å; E64-E67 PolarHBondContact O-N 3.21Å; E64-E68 PolarHBondContact O-N 3.18Å
65	V	49.6	Very low	47.6	Very low	13 Å²	13	92.6 Å²	92.6	8%	0.079	44%	0.436	C	S	.	.	H	α-helix	trans	-86.5	-27	178.6	172.8	0	0	0	0	113.5	R61 V62 R63 E68 N69	R61-V65 PolarHBondContact O-N 2.94Å; V62-V65 PolarHBondContact O-N 2.93Å; R63-V65 VanDerWaalsContact C-N 3.34Å; R63-V65 PolarHBondContact O-N 3.5Å; V65-E68 PolarHBondContact O-N 3.07Å; V65-N69 WeakPolarHBondContact O-CB 3.39Å; V65-N69 PolarHBondContact O-N 3.18Å; V65-N69 PolarHBondContact O-ND2 3.36Å
66	E	49.3	Very low	48	Very low	120 Å²	120	84.9 Å²	84.9	56%	0.561	41%	0.408	S	S	*	.	H	α-helix	trans	-60.5	-39.8	162.6	-77.5	-179.5	159.2	0	0	109.8	V62 R70	V62-E66 HydrophobicContact CG1-CG 4.15Å; V62-E66 WeakPolarHBondContact O-CB 3.38Å; V62-E66 VanDerWaalsContact O-CG 3.3Å; V62-E66 WeakPolarHBondContact O-CG 3.49Å; V62-E66 PolarHBondContact O-N 3.15Å; E66-R70 WeakPolarHBondContact O-CA 3.47Å; E66-R70 WeakPolarHBondContact O-CB 3.45Å; E66-R70 PolarHBondContact O-N 3.19Å
67	E	51.3	Low	48.6	Very low	74 Å²	74	85.4 Å²	85.4	35%	0.346	41%	0.409	S	S	.	.	H	α-helix	trans	-69.5	-42.4	173.6	-167.8	59.7	-152.2	0	0	110.6	R63 E64 N69 R70 Q71	R63-E67 WeakPolarHBondContact O-CB 3.34Å; R63-E67 PolarHBondContact O-N 3.1Å; E64-E67 CarbonylContact O-C 3.55Å; E64-E67 PolarHBondContact O-N 3.21Å; E67-N69 PolarHBondContact O-N 3.4Å; E67-R70 CarbonylContact O-C 3.46Å; E67-R70 WeakPolarHBondContact O-CB 3.39Å; E67-R70 PolarHBondContact O-N 2.77Å; E67-R70 WeakPolarHBondContact OE2-CD 3.14Å; E67-R70 IonicContact OE2-NH1 2.76Å; E67-R70 PolarHBondContact OE2-NH1 2.9Å; E67-Q71 HydrophobicContact CG-CG 4.3Å; E67-Q71 WeakPolarHBondContact O-CA 3.41Å; E67-Q71 VanDerWaalsContact O-CB 3.26Å; E67-Q71 WeakPolarHBondContact O-CB 3.19Å; E67-Q71 WeakPolarHBondContact O-CG 3.19Å; E67-Q71 PolarHBondContact O-N 3.44Å; E67-Q71 PolarHBondContact OE1-NE2 2.95Å
68	E	50.4	Low	48.6	Very low	100 Å²	100	87.5 Å²	87.5	47%	0.467	41%	0.413	S	S	.	.	H	α-helix	trans	-61.9	-44.7	172.4	-74.9	-176.5	162.3	0	0	112.2	E64 V65 R70 Q71 I72	E64-E68 PolarHBondContact O-N 3.18Å; V65-E68 PolarHBondContact O-N 3.07Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 3.35Å; E68-Q71 CarbonylContact O-C 3.57Å; E68-Q71 PolarHBondContact O-N 3.37Å; E68-I72 WeakPolarHBondContact O-CB 3.5Å; E68-I72 VanDerWaalsContact O-CG1 3.24Å; E68-I72 WeakPolarHBondContact O-CG1 3.29Å; E68-I72 PolarHBondContact O-N 3.36Å
69	N	49.2	Very low	48.8	Very low	23 Å²	23	84.5 Å²	84.5	12%	0.123	40%	0.403	C	S	.	.	H	α-helix	trans	-67	-32.8	175.4	-78.4	-37.6	0	0	0	111.2	V65 E67 K73 Y400	V65-N69 WeakPolarHBondContact O-CB 3.39Å; V65-N69 PolarHBondContact O-N 3.18Å; V65-N69 PolarHBondContact O-ND2 3.36Å; E67-N69 PolarHBondContact O-N 3.4Å; N69-K73 VanDerWaalsContact O-CB 3.27Å; N69-K73 WeakPolarHBondContact O-CB 3.46Å; N69-K73 WeakPolarHBondContact O-CD 3.46Å; N69-K73 WeakPolarHBondContact O-CG 3.48Å; N69-K73 PolarHBondContact O-N 2.85Å; N69-Y400 PolarHBondContact OD1-OH 3.31Å; N69-Y400 VanDerWaalsContact OD1-OH 3.07Å
70	R	56.3	Low	48.8	Very low	150 Å²	150	82.9 Å²	82.9	57%	0.566	40%	0.395	S	S	*	.	H	α-helix	trans	-71.3	-38.2	173	-171.8	-173.8	-168.5	-169.1	3.8	110.4	E66 E67 E68 K73 L74	E66-R70 WeakPolarHBondContact O-CA 3.47Å; E66-R70 WeakPolarHBondContact O-CB 3.45Å; E66-R70 PolarHBondContact O-N 3.19Å; E67-R70 CarbonylContact O-C 3.46Å; E67-R70 WeakPolarHBondContact O-CB 3.39Å; E67-R70 PolarHBondContact O-N 2.77Å; E67-R70 WeakPolarHBondContact OE2-CD 3.14Å; E67-R70 IonicContact OE2-NH1 2.76Å; E67-R70 PolarHBondContact OE2-NH1 2.9Å; E68-R70 VanDerWaalsContact C-N 3.28Å; E68-R70 PolarHBondContact O-N 3.35Å; R70-K73 CarbonylContact O-C 3.56Å; R70-K73 WeakPolarHBondContact O-CB 3.48Å; R70-K73 PolarHBondContact O-N 3.48Å; R70-L74 HydrophobicContact CG-CD1 3.97Å; R70-L74 HydrophobicContact CG-CG 4.33Å; R70-L74 WeakPolarHBondContact O-CA 3.27Å; R70-L74 WeakPolarHBondContact O-CB 3.11Å; R70-L74 WeakPolarHBondContact O-CG 3.44Å; R70-L74 PolarHBondContact O-N 3.07Å
71	Q	54	Low	48.6	Very low	76 Å²	76	80.7 Å²	80.7	36%	0.355	38%	0.384	S	S	.	.	H	α-helix	trans	-68.2	-39.2	174.4	-72.7	-61.3	-32.7	0	0	110.1	E67 E68 L74 Q75	E67-Q71 HydrophobicContact CG-CG 4.3Å; E67-Q71 WeakPolarHBondContact O-CA 3.41Å; E67-Q71 VanDerWaalsContact O-CB 3.26Å; E67-Q71 WeakPolarHBondContact O-CB 3.19Å; E67-Q71 WeakPolarHBondContact O-CG 3.19Å; E67-Q71 PolarHBondContact O-N 3.44Å; E67-Q71 PolarHBondContact OE1-NE2 2.95Å; E68-Q71 CarbonylContact O-C 3.57Å; E68-Q71 PolarHBondContact O-N 3.37Å; Q71-L74 CarbonylContact O-C 3.59Å; Q71-L74 PolarHBondContact O-N 2.91Å; Q71-Q75 WeakPolarHBondContact O-CB 3.25Å; Q71-Q75 WeakPolarHBondContact O-CG 3.44Å; Q71-Q75 PolarHBondContact O-N 3.48Å
72	I	53.3	Low	48.2	Very low	42 Å²	42	76.5 Å²	76.5	22%	0.215	38%	0.382	C	S	.	.	H	α-helix	trans	-65.5	-44.3	170.6	-69.2	165.9	0	0	0	109.8	E68 L74 Q75 L76 F155 Y400	E68-I72 WeakPolarHBondContact O-CB 3.5Å; E68-I72 VanDerWaalsContact O-CG1 3.24Å; E68-I72 WeakPolarHBondContact O-CG1 3.29Å; E68-I72 PolarHBondContact O-N 3.36Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 3.03Å; I72-Q75 PolarHBondContact O-N 3.34Å; I72-L76 HydrophobicContact CG2-CD1 3.97Å; I72-L76 HydrophobicContact CG2-CG 4.43Å; I72-L76 VanDerWaalsContact O-CB 3.24Å; I72-L76 WeakPolarHBondContact O-CB 3.47Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.24Å; I72-F155 HydrophobicContact CG2-CZ 4.44Å; I72-Y400 HydrophobicContact CD1-CE2 4.19Å
73	K	52.5	Low	48	Very low	113 Å²	113	75.8 Å²	75.8	49%	0.491	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-36	173.2	-75.9	166.9	-176.5	174.3	0	111.9	N69 R70 S77 F155	N69-K73 VanDerWaalsContact O-CB 3.27Å; N69-K73 WeakPolarHBondContact O-CB 3.46Å; N69-K73 WeakPolarHBondContact O-CD 3.46Å; N69-K73 WeakPolarHBondContact O-CG 3.48Å; N69-K73 PolarHBondContact O-N 2.85Å; R70-K73 CarbonylContact O-C 3.56Å; R70-K73 WeakPolarHBondContact O-CB 3.48Å; R70-K73 PolarHBondContact O-N 3.48Å; K73-S77 WeakPolarHBondContact O-CB 3Å; K73-S77 PolarHBondContact O-N 3.01Å; K73-F155 HydrophobicContact CG-CE1 4.26Å; K73-F155 HydrophobicContact CG-CZ 4.1Å
74	L	50.2	Low	47.7	Very low	58 Å²	58	74.8 Å²	74.8	30%	0.304	39%	0.385	S	S	.	.	H	α-helix	trans	-74.8	-38.9	178.2	-77.8	166.6	0	0	0	110.9	R70 Q71 I72 S77 Q78	R70-L74 HydrophobicContact CG-CD1 3.97Å; R70-L74 HydrophobicContact CG-CG 4.33Å; R70-L74 WeakPolarHBondContact O-CA 3.27Å; R70-L74 WeakPolarHBondContact O-CB 3.11Å; R70-L74 WeakPolarHBondContact O-CG 3.44Å; R70-L74 PolarHBondContact O-N 3.07Å; Q71-L74 CarbonylContact O-C 3.59Å; Q71-L74 PolarHBondContact O-N 2.91Å; I72-L74 VanDerWaalsContact C-N 3.28Å; I72-L74 PolarHBondContact O-N 3.03Å; L74-S77 VanDerWaalsContact CA-OG 3.26Å; L74-S77 WeakPolarHBondContact CA-OG 3.49Å; L74-S77 CarbonylContact O-C 3.56Å; L74-S77 WeakPolarHBondContact O-CA 3.44Å; L74-S77 PolarHBondContact O-N 3.15Å; L74-S77 VanDerWaalsContact O-N 3.12Å; L74-S77 PolarHBondContact O-OG 3.29Å; L74-Q78 VanDerWaalsContact O-CB 3.24Å; L74-Q78 WeakPolarHBondContact O-CB 3.47Å; L74-Q78 WeakPolarHBondContact O-CG 3.41Å; L74-Q78 PolarHBondContact O-N 3.33Å
75	Q	54.4	Low	47.1	Very low	114 Å²	114	77.1 Å²	77.1	53%	0.533	40%	0.4	S	S	.	.	H	α-helix	trans	-69	-38.5	173.4	-78.2	175.7	2.1	0	0	110.6	Q71 I72 S77 Q78 S79	Q71-Q75 WeakPolarHBondContact O-CB 3.25Å; Q71-Q75 WeakPolarHBondContact O-CG 3.44Å; Q71-Q75 PolarHBondContact O-N 3.48Å; I72-Q75 PolarHBondContact O-N 3.34Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; Q75-Q78 PolarHBondContact O-N 3.44Å; Q75-S79 VanDerWaalsContact O-CB 3.22Å; Q75-S79 WeakPolarHBondContact O-CB 3.41Å; Q75-S79 PolarHBondContact O-N 2.92Å; Q75-S79 PolarHBondContact O-OG 2.98Å
76	L	48.9	Very low	46.3	Very low	20 Å²	20	81.3 Å²	81.3	11%	0.105	43%	0.43	C	S	.	.	H	α-helix	trans	-58.6	-48.9	165.6	-73	167.3	0	0	0	108.4	I72 Q78 S79 Q80 L393 T396	I72-L76 HydrophobicContact CG2-CD1 3.97Å; I72-L76 HydrophobicContact CG2-CG 4.43Å; I72-L76 VanDerWaalsContact O-CB 3.24Å; I72-L76 WeakPolarHBondContact O-CB 3.47Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.24Å; L76-Q78 PolarHBondContact O-N 3.36Å; L76-S79 WeakPolarHBondContact CA-OG 3.33Å; L76-S79 PolarHBondContact O-OG 2.93Å; L76-Q80 WeakPolarHBondContact O-CB 3.36Å; L76-Q80 WeakPolarHBondContact O-CG 3.18Å; L76-Q80 PolarHBondContact O-N 3.28Å; L76-Q80 PolarHBondContact O-NE2 3.35Å; L76-L393 HydrophobicContact CD2-CD1 4.05Å; L76-T396 HydrophobicContact CD2-CG2 4.32Å
77	S	49.3	Very low	45.5	Very low	53 Å²	53	81.8 Å²	81.8	37%	0.371	44%	0.436	S	S	.	.	H	α-helix	trans	-68	-25.1	176.7	76.4	0	0	0	0	115.9	K73 L74 Q75 Q80 G81	K73-S77 WeakPolarHBondContact O-CB 3Å; K73-S77 PolarHBondContact O-N 3.01Å; L74-S77 VanDerWaalsContact CA-OG 3.26Å; L74-S77 WeakPolarHBondContact CA-OG 3.49Å; L74-S77 CarbonylContact O-C 3.56Å; L74-S77 WeakPolarHBondContact O-CA 3.44Å; L74-S77 PolarHBondContact O-N 3.15Å; L74-S77 VanDerWaalsContact O-N 3.12Å; L74-S77 PolarHBondContact O-OG 3.29Å; Q75-S77 VanDerWaalsContact C-N 3.34Å; S77-Q80 WeakPolarHBondContact O-CB 3.43Å; S77-G81 PolarHBondContact O-N 3.04Å; S77-G81 VanDerWaalsContact O-N 3.12Å
78	Q	43.9	Very low	44.5	Very low	120 Å²	120	81.6 Å²	81.6	56%	0.561	45%	0.454	S	S	*	.	H	α-helix	trans	-87.8	-36.4	-179.7	-77.3	171.3	12.2	0	0	111.2	L74 Q75 L76 Q80 G81 A82	L74-Q78 VanDerWaalsContact O-CB 3.24Å; L74-Q78 WeakPolarHBondContact O-CB 3.47Å; L74-Q78 WeakPolarHBondContact O-CG 3.41Å; L74-Q78 PolarHBondContact O-N 3.33Å; Q75-Q78 PolarHBondContact O-N 3.44Å; L76-Q78 PolarHBondContact O-N 3.36Å; Q78-Q80 PolarHBondContact O-N 3.36Å; Q78-G81 CarbonylContact O-C 3.56Å; Q78-G81 WeakPolarHBondContact O-CA 3.45Å; Q78-G81 PolarHBondContact O-N 3.49Å; Q78-A82 PolarHBondContact O-N 3.02Å
79	S	44.3	Very low	43.6	Very low	57 Å²	57	84.2 Å²	84.2	40%	0.399	47%	0.471	S	S	.	.	H	α-helix	trans	-64.7	-28.4	165.7	60.1	0	0	0	0	111.3	Q75 L76	Q75-S79 VanDerWaalsContact O-CB 3.22Å; Q75-S79 WeakPolarHBondContact O-CB 3.41Å; Q75-S79 PolarHBondContact O-N 2.92Å; Q75-S79 PolarHBondContact O-OG 2.98Å; L76-S79 WeakPolarHBondContact CA-OG 3.33Å; L76-S79 PolarHBondContact O-OG 2.93Å
80	Q	43.6	Very low	42.6	Very low	55 Å²	55	94.4 Å²	94.4	26%	0.257	51%	0.51	S	S	.	.	H	α-helix	trans	-66.6	-35.3	166.4	-66.5	162.1	16	0	0	112.6	L76 S77 Q78 V366 F389	L76-Q80 WeakPolarHBondContact O-CB 3.36Å; L76-Q80 WeakPolarHBondContact O-CG 3.18Å; L76-Q80 PolarHBondContact O-N 3.28Å; L76-Q80 PolarHBondContact O-NE2 3.35Å; S77-Q80 WeakPolarHBondContact O-CB 3.43Å; Q78-Q80 PolarHBondContact O-N 3.36Å; Q80-V366 HydrophobicContact CB-CB 4.33Å; Q80-V366 HydrophobicContact CB-CG1 4.23Å; Q80-V366 HydrophobicContact CG-CB 4.13Å; Q80-V366 HydrophobicContact CG-CG1 3.49Å; Q80-V366 VanDerWaalsContact CG-CG1 3.49Å; Q80-F389 HydrophobicContact CG-CD2 4.43Å; Q80-F389 HydrophobicContact CG-CE2 3.6Å; Q80-F389 HydrophobicContact CG-CZ 4.26Å
81	G	36.7	Very low	41.2	Very low	26 Å²	26	90.8 Å²	90.8	27%	0.268	52%	0.519	S	S	.	.	H	α-helix	trans	-77.2	-31.7	174.7	0	0	0	0	0	114.8	S77 Q78 A83 Q84	S77-G81 PolarHBondContact O-N 3.04Å; S77-G81 VanDerWaalsContact O-N 3.12Å; Q78-G81 CarbonylContact O-C 3.56Å; Q78-G81 WeakPolarHBondContact O-CA 3.45Å; Q78-G81 PolarHBondContact O-N 3.49Å; G81-A83 VanDerWaalsContact C-N 3.28Å; G81-A83 PolarHBondContact O-N 3.01Å; G81-Q84 WeakPolarHBondContact O-CB 3.41Å; G81-Q84 PolarHBondContact O-N 3.37Å; G81-Q84 VanDerWaalsContact O-N 3.08Å
82	A	36.4	Very low	39.9	Very low	63 Å²	63	95.1 Å²	95.1	52%	0.521	55%	0.545	S	S	.	.	H	α-helix	trans	-68.1	-27.1	177.2	0	0	0	0	0	112.9	Q78 Q84 L85	Q78-A82 PolarHBondContact O-N 3.02Å; A82-Q84 PolarHBondContact O-N 3.04Å; A82-L85 PolarHBondContact O-N 3.42Å
83	A	39.1	Very low	38.7	Very low	53 Å²	53	102.6 Å²	102.6	44%	0.438	58%	0.579	S	S	.	*	T	Hydrogen-bonded Turn	trans	-70.9	-14.8	171.9	0	0	0	0	0	113.6	G81	G81-A83 VanDerWaalsContact C-N 3.28Å; G81-A83 PolarHBondContact O-N 3.01Å
84	Q	41.7	Very low	37.4	Very low	135 Å²	135	105.8 Å²	105.8	63%	0.631	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	-20.2	173.7	-71.2	179.2	-35.3	0	0	113	G81 A82 S86	G81-Q84 WeakPolarHBondContact O-CB 3.41Å; G81-Q84 PolarHBondContact O-N 3.37Å; G81-Q84 VanDerWaalsContact O-N 3.08Å; A82-Q84 PolarHBondContact O-N 3.04Å; Q84-S86 VanDerWaalsContact C-N 3.31Å; Q84-S86 PolarHBondContact O-N 3.2Å
85	L	34.2	Very low	36.2	Very low	155 Å²	155	115.4 Å²	115.4	81%	0.812	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-0.9	-176.8	-77.3	163.2	0	0	0	114.4	A82	A82-L85 PolarHBondContact O-N 3.42Å
86	S	32.7	Very low	34.8	Very low	101 Å²	101	113.8 Å²	113.8	71%	0.706	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.1	0.6	174.8	66.3	0	0	0	0	114.9	Q84	Q84-S86 VanDerWaalsContact C-N 3.31Å; Q84-S86 PolarHBondContact O-N 3.2Å
87	D	34	Very low	33.8	Very low	130 Å²	130	118 Å²	118	70%	0.695	68%	0.679	S	S	*	*	S	Bend	trans	-122.6	134.1	173.3	-104.9	-26.1	0	0	0	110.9
88	G	29	Very low	32.7	Very low	70 Å²	70	120.4 Å²	120.4	72%	0.722	70%	0.696	S	S	*	*			trans	-64.5	139.4	-157.7	0	0	0	0	0	118.2
89	N	31.2	Very low	31.9	Very low	155 Å²	155	119 Å²	119	83%	0.829	71%	0.705	S	S	*	*			trans	29.8	95.6	130.7	-160.2	35.5	0	0	0	118.9
90	Y	29.3	Very low	31.1	Very low	236 Å²	236	123.2 Å²	123.2	93%	0.925	72%	0.723	S	S	*	*			trans	-153.7	121.6	144.1	-90.2	-75.7	0	0	0	111.7
91	G	27.1	Very low	30.5	Very low	74 Å²	74	127 Å²	127	76%	0.763	75%	0.75	S	S	*	*			trans	70.1	99.6	141	0	0	0	0	0	119.8	Q93	G91-Q93 PolarHBondContact O-N 2.92Å
92	N	26.6	Very low	30.1	Very low	168 Å²	168	132 Å²	132	90%	0.898	78%	0.775	S	S	*	*			trans	-42.2	126.4	159.9	-98.5	-13	0	0	0	113.8
93	Q	27.1	Very low	29.9	Very low	199 Å²	199	134.5 Å²	134.5	93%	0.93	79%	0.786	S	S	*	*			trans	-153.6	111.6	132.5	-112.5	170.4	10.9	0	0	110.7	G91	G91-Q93 PolarHBondContact O-N 2.92Å
94	Q	26.4	Very low	29.5	Very low	180 Å²	180	140.9 Å²	140.9	84%	0.841	81%	0.807	S	S	*	*			trans	-59.7	131.4	174.7	-177.1	171.6	14.7	0	0	110.6
95	W	25.1	Very low	29.1	Very low	260 Å²	260	142.2 Å²	142.2	99%	0.985	82%	0.819	S	S	*	*			trans	-148.8	125.9	149.8	-93.1	5.8	0	0	0	109.6
96	G	24.9	Very low	28.8	Very low	79 Å²	79	138.5 Å²	138.5	81%	0.814	82%	0.817	S	S	*	*			trans	-78.3	137	-175.1	0	0	0	0	0	112.3	S98	G96-S98 PolarHBondContact O-N 3.24Å
97	A	26.3	Very low	28.7	Very low	109 Å²	109	140.8 Å²	140.8	90%	0.901	82%	0.822	S	S	*	*			trans	-78.8	108.6	168	0	0	0	0	0	108.9
98	S	26.9	Very low	28.5	Very low	103 Å²	103	141.9 Å²	141.9	72%	0.72	83%	0.827	S	S	*	*			trans	-79.5	126.6	165.6	-162.1	0	0	0	0	108.6	G96	G96-S98 PolarHBondContact O-N 3.24Å
99	A	28.1	Very low	28.7	Very low	91 Å²	91	144.6 Å²	144.6	75%	0.752	83%	0.83	S	S	*	*			trans	-84.5	109.1	172.1	0	0	0	0	0	108.5
100	D	27.3	Very low	28.7	Very low	145 Å²	145	142.1 Å²	142.1	78%	0.775	83%	0.831	S	S	*	*			trans	-93.7	106.2	173.1	-74.2	-14	0	0	0	110
101	T	30.8	Very low	28.9	Very low	134 Å²	134	140 Å²	140	82%	0.822	83%	0.83	S	S	*	*			trans	-98.1	124.1	156.1	38	0	0	0	0	106.1
102	V	27.9	Very low	28.9	Very low	131 Å²	131	145.2 Å²	145.2	79%	0.794	83%	0.834	S	S	*	*			trans	-139.4	131.4	164.8	-174.7	0	0	0	0	109
103	P	31.4	Very low	29.1	Very low	117 Å²	117	146.3 Å²	146.3	76%	0.76	83%	0.831	S	S	*	*			trans	-85.7	148	168.5	23.6	-11.4	0	0	0	111.8
104	E	32.1	Very low	29.4	Very low	186 Å²	186	141.7 Å²	141.7	87%	0.869	82%	0.821	S	S	*	*			trans	-68.4	127.2	173.7	-70.7	-179.5	149.4	0	0	111.7
105	D	32.1	Very low	29.7	Very low	164 Å²	164	140.7 Å²	140.7	88%	0.877	82%	0.822	S	S	*	*				165.3	128.5	114.1	-92.3	-25	0	0	0	111.1
106	G	27.8	Very low	30.1	Very low	76 Å²	76	137.3 Å²	137.3	78%	0.784	82%	0.816	S	S	*	*			trans	165.7	94.2	176	0	0	0	0	0	113.2
107	D	31.5	Very low	30.5	Very low	149 Å²	149	139.6 Å²	139.6	80%	0.797	81%	0.814	S	S	*	*			trans	-50.6	131.6	173.6	-165.7	13.3	0	0	0	113.2
108	N	28.9	Very low	30.7	Very low	153 Å²	153	142 Å²	142	82%	0.818	81%	0.812	S	S	*	*			trans	179.9	135.9	140.7	-90.7	-38.6	0	0	0	112.8
109	T	34.7	Very low	31	Very low	127 Å²	127	142.2 Å²	142.2	78%	0.779	81%	0.812	S	S	*	*			trans	-60.4	138.6	175.6	49.6	0	0	0	0	115
110	A	29.4	Very low	31.4	Very low	103 Å²	103	143.1 Å²	143.1	85%	0.851	81%	0.813	S	S	*	*				174.6	143	127.3	0	0	0	0	0	111.4
111	E	34.3	Very low	32.4	Very low	192 Å²	192	147.2 Å²	147.2	90%	0.897	82%	0.818	S	S	*	*			trans	-59.1	137.2	-178.9	-57.1	169.8	138.6	0	0	113.5
112	E	28.1	Very low	33.4	Very low	183 Å²	183	144 Å²	144	86%	0.855	80%	0.801	S	S	*	*			trans	-162.1	108	140.7	-114.2	172.1	-173.3	0	0	114.2
113	K	29	Very low	34.7	Very low	191 Å²	191	140 Å²	140	83%	0.83	78%	0.777	S	S	*	*			trans	37.9	109	140.2	-69.8	173.9	-179.8	167.5	0	120.3
114	S	33.3	Very low	36.7	Very low	103 Å²	103	141.1 Å²	141.1	72%	0.72	78%	0.777	S	S	*	*			trans	-10.2	118.7	146.4	61	0	0	0	0	118.1
115	N	34.3	Very low	39.3	Very low	159 Å²	159	133.4 Å²	133.4	85%	0.85	74%	0.742	S	S	*	*				-173.1	86.8	127.6	-93.2	-17.9	0	0	0	109.2
116	H	32.3	Very low	42	Very low	188 Å²	188	132.4 Å²	132.4	87%	0.87	73%	0.732	S	S	*	*			trans	-115.8	119.7	164.5	-85.9	-62.7	0	0	0	109.6	D118	H116-D118 PolarHBondContact O-N 2.74Å
117	T	33.3	Very low	44.8	Very low	127 Å²	127	136 Å²	136	78%	0.779	73%	0.726	S	S	*	*			trans	-45.9	123.3	160.9	34.2	0	0	0	0	109.7	C119	T117-C119 VanDerWaalsContact C-N 3.28Å; T117-C119 PolarHBondContact O-N 3.03Å
118	D	32.1	Very low	47.6	Very low	161 Å²	161	130.9 Å²	130.9	86%	0.861	70%	0.701	S	S	*	*			trans	-68.9	83.4	-178.8	-157.8	6.3	0	0	0	109.4	H116 S120	H116-D118 PolarHBondContact O-N 2.74Å; D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 PolarHBondContact O-N 2.98Å
119	C	33	Very low	50.7	Low	106 Å²	106	125.8 Å²	125.8	72%	0.716	67%	0.673	S	S	*	*			trans	-67.2	98.5	161.8	-86.9	0	0	0	0	106.6	T117 R121	T117-C119 VanDerWaalsContact C-N 3.28Å; T117-C119 PolarHBondContact O-N 3.03Å; C119-R121 VanDerWaalsContact C-N 3.33Å; C119-R121 PolarHBondContact O-N 3.09Å
120	S	35.8	Very low	53.6	Low	110 Å²	110	122.3 Å²	122.3	77%	0.769	65%	0.649	S	S	*	*			trans	-50.4	94.7	175	54.2	0	0	0	0	110.2	D118 S122	D118-S120 VanDerWaalsContact C-N 3.32Å; D118-S120 PolarHBondContact O-N 2.98Å; S120-S122 PolarHBondContact O-N 3.28Å
121	R	47.5	Very low	56.8	Low	231 Å²	231	117.4 Å²	117.4	87%	0.872	61%	0.608	S	S	*	*			trans	-61.1	124.8	175	-70.5	-178.5	175.5	179.5	-1.8	106.8	C119	C119-R121 VanDerWaalsContact C-N 3.33Å; C119-R121 PolarHBondContact O-N 3.09Å
122	S	52.3	Low	59.9	Low	68 Å²	68	109.7 Å²	109.7	48%	0.476	57%	0.573	S	S	.	*			trans	-52.6	139.5	172.6	49.2	0	0	0	0	108.8	S120 L124	S120-S122 PolarHBondContact O-N 3.28Å; S122-L124 PolarHBondContact O-N 3.46Å
123	P	55.8	Low	63.3	Low	45 Å²	45	101 Å²	101	29%	0.292	53%	0.532	S	S	.	.			trans	-63.8	110.8	-175.1	24.4	-32	0	0	0	108.9	V125 K252	P123-V125 PolarHBondContact O-N 2.9Å; P123-K252 HydrophobicContact CB-CB 4.43Å; P123-K252 HydrophobicContact CB-CD 3.97Å; P123-K252 HydrophobicContact CG-CB 4.42Å
124	L	72.4	Confident	66.6	Low	142 Å²	142	92 Å²	92	74%	0.743	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-56.6	120.7	-173.9	-70	159.2	0	0	0	109.7	S122 K252	S122-L124 PolarHBondContact O-N 3.46Å; L124-K252 PolarHBondContact O-NZ 3.01Å
125	V	87.4	Confident	69.7	Low	24 Å²	24	87.1 Å²	87.1	15%	0.145	46%	0.459	C	S	.	.	P	Polyproline II helix	trans	-68.5	137.8	166.8	172.5	0	0	0	0	107.6	P123 K127 E129 A245 W248	P123-V125 PolarHBondContact O-N 2.9Å; V125-K127 PolarHBondContact O-N 2.83Å; V125-E129 HydrophobicContact CG1-CB 3.99Å; V125-E129 HydrophobicContact CG1-CG 4.46Å; V125-E129 WeakPolarHBondContact CG1-OE2 3.19Å; V125-A245 HydrophobicContact CB-CB 4.28Å; V125-A245 HydrophobicContact CG1-CB 4.42Å; V125-A245 HydrophobicContact CG2-CB 4.37Å; V125-A245 WeakPolarHBondContact CG2-O 3.48Å; V125-W248 HydrophobicContact CG2-CB 4.41Å
126	Q	88.8	Confident	72.7	Confident	143 Å²	143	80.5 Å²	80.5	67%	0.668	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-65.3	139	-176.6	-176.4	178.3	-8	0	0	109.2	C128 E129 N159	Q126-C128 PolarHBondContact O-N 3.49Å; Q126-E129 HydrophobicContact CB-CB 4.24Å; Q126-E129 PolarHBondContact N-OE2 3.16Å; Q126-E129 VanDerWaalsContact O-CB 3.27Å; Q126-E129 WeakPolarHBondContact O-CB 3.36Å; Q126-E129 PolarHBondContact O-N 3.32Å; Q126-N159 PolarHBondContact O-ND2 3.34Å
127	K	86.7	Confident	75.8	Confident	151 Å²	151	71.6 Å²	71.6	66%	0.657	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	131.4	173.4	-170.7	-177.9	176.2	-178	0	108.7	V125 E129	V125-K127 PolarHBondContact O-N 2.83Å; K127-E129 PolarHBondContact O-N 3.46Å
128	C	89.6	Confident	78.8	Confident	41 Å²	41	66.5 Å²	66.5	28%	0.277	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.9	10.1	-176.9	-47.6	0	0	0	0	116.4	Q126 L130 P160 C412	Q126-C128 PolarHBondContact O-N 3.49Å; C128-L130 PolarHBondContact O-N 3.09Å; C128-P160 WeakPolarHBondContact O-CG 3.24Å; C128-C412 WeakPolarHBondContact CA-SG 3.42Å; C128-C412 HydrophobicContact CB-CB 3.79Å; C128-C412 WeakPolarHBondContact CB-SG 3.36Å; C128-C412 WeakPolarHBondContact SG-CA 3.41Å; C128-C412 WeakPolarHBondContact SG-CB 2.99Å; C128-C412 CovalentContact SG-SG 2.03Å; C128-C412 PolarHBondContact SG-SG 3.41Å
129	E	93.9	Very high	81.8	Confident	46 Å²	46	59.6 Å²	59.6	22%	0.215	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-61	128.8	164.8	-172.3	177.9	162.4	0	0	109.1	V125 Q126 K127 I131 N159 K230 W248	V125-E129 HydrophobicContact CG1-CB 3.99Å; V125-E129 HydrophobicContact CG1-CG 4.46Å; V125-E129 WeakPolarHBondContact CG1-OE2 3.19Å; Q126-E129 HydrophobicContact CB-CB 4.24Å; Q126-E129 PolarHBondContact N-OE2 3.16Å; Q126-E129 VanDerWaalsContact O-CB 3.27Å; Q126-E129 WeakPolarHBondContact O-CB 3.36Å; Q126-E129 PolarHBondContact O-N 3.32Å; K127-E129 PolarHBondContact O-N 3.46Å; E129-I131 PolarHBondContact O-N 3.36Å; E129-N159 PolarHBondContact N-ND2 2.95Å; E129-N159 PolarHBondContact O-ND2 3.45Å; E129-K230 IonicContact OE1-NZ 3.09Å; E129-K230 PolarHBondContact OE1-NZ 3.09Å; E129-W248 PolarHBondContact OE1-NE1 2.97Å
130	L	95.7	Very high	84.8	Confident	54 Å²	54	55.8 Å²	55.8	28%	0.283	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-73	122.5	176.9	-175.7	64.3	0	0	0	110.1	C128 P160 H162	C128-L130 PolarHBondContact O-N 3.09Å; L130-P160 HydrophobicContact CD1-CB 3.92Å; L130-P160 HydrophobicContact CD1-CG 4.34Å; L130-H162 HydrophobicContact CD1-CB 4.14Å; L130-H162 HydrophobicContact CD2-CB 4.25Å; L130-H162 HydrophobicContact CG-CB 4.29Å
131	I	98	Very high	87.5	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	124.3	178.6	-63.9	176.7	0	0	0	108.9	E129 V133 N159 P160 L161 H162 I232 I244 A245 W248	E129-I131 PolarHBondContact O-N 3.36Å; I131-V133 HydrophobicContact CG2-CG2 4.23Å; I131-N159 HydrophobicContact CD1-CB 3.6Å; I131-N159 HydrophobicContact CG1-CB 4.1Å; I131-P160 PolarHBondContact N-O 3.04Å; I131-L161 HydrophobicContact CB-CD2 3.74Å; I131-L161 HydrophobicContact CG2-CD2 3.8Å; I131-L161 WeakPolarHBondContact O-CA 3.25Å; I131-H162 PolarHBondContact O-N 2.83Å; I131-I232 HydrophobicContact CG2-CD1 4.21Å; I131-I244 HydrophobicContact CD1-CG2 4.29Å; I131-I244 HydrophobicContact CG2-CG2 4.48Å; I131-A245 HydrophobicContact CD1-CB 3.73Å; I131-W248 HydrophobicContact CB-CD2 4.41Å; I131-W248 HydrophobicContact CD1-CB 4.12Å; I131-W248 HydrophobicContact CD1-CG 4.3Å; I131-W248 HydrophobicContact CG1-CB 4.27Å; I131-W248 HydrophobicContact CG1-CD2 4.16Å; I131-W248 HydrophobicContact CG1-CG 3.94Å; I131-W248 HydrophobicContact CG2-CB 4.36Å; I131-W248 HydrophobicContact CG2-CD2 4.02Å; I131-W248 HydrophobicContact CG2-CE3 3.77Å; I131-W248 HydrophobicContact CG2-CG 4.3Å; I131-W248 HydrophobicContact CG2-CZ3 4.31Å
132	H	98.8	Very high	89.8	Confident	31 Å²	31	44.9 Å²	44.9	14%	0.144	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	126.9	-179.7	-65.4	-93.7	0	0	0	111	H162 H164 L228 V231 I232 W248	H132-H162 AromaticContact CE1-ND1 3.77Å; H132-H162 AromaticContact ND1-CG 4Å; H132-H162 AromaticContact ND1-ND1 3.8Å; H132-H164 AromaticContact CE1-NE2 3.99Å; H132-H164 AromaticContact CG-NE2 3.77Å; H132-H164 AromaticContact ND1-CD2 4Å; H132-H164 AromaticContact ND1-CE1 3.81Å; H132-H164 AromaticContact ND1-NE2 2.95Å; H132-H164 PolarHBondContact ND1-NE2 3.11Å; H132-L228 HydrophobicContact CB-CD1 4.05Å; H132-L228 HydrophobicContact CB-CD2 4.47Å; H132-L228 VanDerWaalsContact CG-CD1 3.44Å; H132-V231 HydrophobicContact CB-CB 4.48Å; H132-V231 HydrophobicContact CB-CG2 4.07Å; H132-V231 WeakPolarHBondContact O-CG2 3.33Å; H132-I232 PolarHBondContact O-N 2.94Å; H132-W248 HydrophobicContact CB-CH2 4Å; H132-W248 HydrophobicContact CB-CZ3 4.25Å; H132-W248 WeakPolarHBondContact O-CZ3 3.25Å
133	V	98.9	Very high	91.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	124.8	-178.9	-175.7	0	0	0	0	109.2	I131 L161 H162 F163 H164 I232 L234 I244	I131-V133 HydrophobicContact CG2-CG2 4.23Å; V133-L161 HydrophobicContact CG2-CD2 4.14Å; V133-H162 PolarHBondContact N-O 3.04Å; V133-F163 HydrophobicContact CB-CD1 3.87Å; V133-F163 HydrophobicContact CB-CE1 4.06Å; V133-F163 HydrophobicContact CG1-CD1 3.99Å; V133-F163 HydrophobicContact CG1-CE1 4Å; V133-F163 HydrophobicContact CG2-CE1 4.41Å; V133-F163 CarbonylContact O-C 3.54Å; V133-F163 WeakPolarHBondContact O-CA 3.3Å; V133-H164 PolarHBondContact O-N 2.89Å; V133-I232 CarbonylContact C-O 3.54Å; V133-I232 VanDerWaalsContact CA-O 3.28Å; V133-I232 WeakPolarHBondContact CA-O 3.3Å; V133-L234 HydrophobicContact CG1-CD1 3.56Å; V133-L234 HydrophobicContact CG1-CG 4.12Å; V133-I244 HydrophobicContact CG2-CD1 3.67Å
134	A	98.8	Very high	93.8	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.3	177.2	0	0	0	0	0	112	H164 L220 L224 V231 I232 V233 L234	A134-H164 CarbonylContact C-O 3.19Å; A134-H164 VanDerWaalsContact CA-O 3.25Å; A134-H164 WeakPolarHBondContact CA-O 3.45Å; A134-H164 HydrophobicContact CB-CB 4.22Å; A134-L220 HydrophobicContact CB-CD2 4.11Å; A134-L224 HydrophobicContact CB-CD1 4.24Å; A134-V231 HydrophobicContact CB-CG2 3.66Å; A134-I232 PolarHBondContact N-O 3.25Å; A134-V233 HydrophobicContact CB-CG2 4.44Å; A134-V233 VanDerWaalsContact O-CA 3.3Å; A134-V233 WeakPolarHBondContact O-CA 3.28Å; A134-L234 PolarHBondContact O-N 2.86Å
135	C	98.3	Very high	94.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.9	176.9	-66.1	0	0	0	0	110.2	H164 F165 I166 L234	C135-H164 PolarHBondContact N-O 3.04Å; C135-F165 HydrophobicContact CB-CD1 3.68Å; C135-F165 HydrophobicContact CB-CE1 3.73Å; C135-F165 WeakPolarHBondContact O-CA 3.42Å; C135-I166 PolarHBondContact O-N 3.32Å; C135-L234 PolarHBondContact SG-O 2.76Å
136	V	97.9	Very high	95.3	Very high	20 Å²	20	35.3 Å²	35.3	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	119.6	166.3	-177.6	0	0	0	0	107.4	I166 M216 K217	V136-I166 HydrophobicContact CG2-CB 4.32Å; V136-I166 HydrophobicContact CG2-CD1 4.3Å; V136-M216 HydrophobicContact CG1-CB 3.97Å; V136-M216 HydrophobicContact CG1-CG 4.42Å; V136-M216 HydrophobicContact CG2-CB 3.98Å; V136-K217 HydrophobicContact CG2-CG 3.97Å
137	C	97.2	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	110.8	-174.8	-179.5	0	0	0	0	110.1	S143 F165 I166 T167 A171 L175 T236	C137-S143 PolarHBondContact SG-N 2.85Å; C137-F165 HydrophobicContact CB-CD1 4.28Å; C137-I166 PolarHBondContact N-O 3.25Å; C137-T167 VanDerWaalsContact O-CA 3.28Å; C137-T167 WeakPolarHBondContact O-CA 3.47Å; C137-T167 WeakPolarHBondContact O-CG2 3.28Å; C137-A171 WeakPolarHBondContact O-CB 3.04Å; C137-L175 HydrophobicContact CB-CD1 4.34Å; C137-T236 HydrophobicContact CB-CG2 4.3Å
138	A	95.3	Very high	96.2	Very high	21 Å²	21	22 Å²	22	17%	0.174	13%	0.125	C	C	.	.			trans	-130.9	138.1	-178.8	0	0	0	0	0	112.3	A142 D168 Y213	A138-A142 VanDerWaalsContact O-CB 3.28Å; A138-A142 WeakPolarHBondContact O-CB 3.43Å; A138-D168 HydrophobicContact CB-CB 4.31Å; A138-Y213 HydrophobicContact CB-CD1 3.5Å; A138-Y213 HydrophobicContact CB-CD2 3.64Å; A138-Y213 HydrophobicContact CB-CE1 3.41Å; A138-Y213 VanDerWaalsContact CB-CE1 3.41Å; A138-Y213 HydrophobicContact CB-CE2 3.53Å; A138-Y213 HydrophobicContact CB-CG 3.62Å; A138-Y213 VanDerWaalsContact CB-CZ 3.41Å
139	G	95.5	Very high	96.6	Very high	16 Å²	16	20 Å²	20	17%	0.165	11%	0.113	C	C	.	.	H	α-helix	trans	76.1	177	179.3	0	0	0	0	0	114.9	N141 S143 D168	G139-N141 PolarHBondContact O-N 3.37Å; G139-S143 WeakPolarHBondContact O-CB 3.44Å; G139-S143 PolarHBondContact O-N 3.49Å; G139-S143 PolarHBondContact O-OG 2.87Å; G139-D168 VanDerWaalsContact N-CG 3.3Å; G139-D168 PolarHBondContact N-OD1 3.4Å; G139-D168 PolarHBondContact N-OD2 2.9Å
140	H	95.9	Very high	96.8	Very high	26 Å²	26	18 Å²	18	12%	0.12	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-43.5	-172.4	-58.5	93.4	0	0	0	113.8	R144 Y452 Y456	H140-R144 PolarHBondContact O-N 3.35Å; H140-Y452 PolarHBondContact CD2-O 3.48Å; H140-Y456 PolarHBondContact CE1-O 3.11Å; H140-Y456 VanDerWaalsContact CE1-O 3.29Å; H140-Y456 PolarHBondContact NE2-N 3.46Å
141	N	93.9	Very high	97	Very high	92 Å²	92	15.5 Å²	15.5	49%	0.492	9%	0.09	S	C	.	.	H	α-helix	trans	-69.6	-47.7	-175.7	-73.5	-29.9	0	0	0	112.1	G139 S143 R144 D145	G139-N141 PolarHBondContact O-N 3.37Å; N141-S143 VanDerWaalsContact C-N 3.26Å; N141-S143 PolarHBondContact O-N 3.37Å; N141-R144 PolarHBondContact O-N 3.24Å; N141-R144 VanDerWaalsContact O-N 3.12Å; N141-R144 PolarHBondContact OD1-NH1 2.87Å; N141-R144 VanDerWaalsContact OD1-NH1 3.07Å; N141-R144 PolarHBondContact OD1-NH2 3.21Å; N141-D145 PolarHBondContact O-N 3.07Å
142	A	94.9	Very high	96.9	Very high	20 Å²	20	15.5 Å²	15.5	17%	0.165	9%	0.09	C	C	.	.	H	α-helix	trans	-61.3	-39	177.9	0	0	0	0	0	111.3	A138 R144 D145 V146	A138-A142 VanDerWaalsContact O-CB 3.28Å; A138-A142 WeakPolarHBondContact O-CB 3.43Å; A142-R144 PolarHBondContact O-N 3.29Å; A142-D145 PolarHBondContact O-N 2.82Å; A142-V146 WeakPolarHBondContact O-CB 3.03Å; A142-V146 WeakPolarHBondContact O-CG1 3.31Å; A142-V146 PolarHBondContact O-N 3.13Å
143	S	97.1	Very high	96.9	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-61.9	-31.6	177	-56.7	0	0	0	0	113.2	C137 G139 N141 V146 V147 A171	C137-S143 PolarHBondContact SG-N 2.85Å; G139-S143 WeakPolarHBondContact O-CB 3.44Å; G139-S143 PolarHBondContact O-N 3.49Å; G139-S143 PolarHBondContact O-OG 2.87Å; N141-S143 VanDerWaalsContact C-N 3.26Å; N141-S143 PolarHBondContact O-N 3.37Å; S143-V146 WeakPolarHBondContact O-CG1 3.35Å; S143-V147 WeakPolarHBondContact O-CG2 3.38Å; S143-A171 VanDerWaalsContact OG-CA 3.27Å; S143-A171 WeakPolarHBondContact OG-CA 3.46Å; S143-A171 WeakPolarHBondContact OG-CB 3.46Å
144	R	95.7	Very high	96.8	Very high	25 Å²	25	14 Å²	14	9%	0.094	8%	0.083	C	C	.	.	H	α-helix	trans	-77.5	-46.6	173.3	-178.4	-174	62.5	-113.8	-11.9	111.4	H140 N141 A142 V146 V147 F453	H140-R144 PolarHBondContact O-N 3.35Å; N141-R144 PolarHBondContact O-N 3.24Å; N141-R144 VanDerWaalsContact O-N 3.12Å; N141-R144 PolarHBondContact OD1-NH1 2.87Å; N141-R144 VanDerWaalsContact OD1-NH1 3.07Å; N141-R144 PolarHBondContact OD1-NH2 3.21Å; A142-R144 PolarHBondContact O-N 3.29Å; R144-V146 VanDerWaalsContact C-N 3.35Å; R144-V146 PolarHBondContact O-N 2.75Å; R144-V147 WeakPolarHBondContact O-CB 3.24Å; R144-V147 WeakPolarHBondContact O-CG2 3.42Å; R144-V147 PolarHBondContact O-N 3.17Å; R144-F453 HydrophobicContact CG-CD2 4.29Å; R144-F453 HydrophobicContact CG-CE2 3.68Å; R144-F453 HydrophobicContact CG-CZ 4.06Å; R144-F453 PolarHBondContact NH1-O 2.84Å
145	D	93.1	Very high	96.6	Very high	52 Å²	52	14.7 Å²	14.7	28%	0.278	9%	0.086	S	C	.	.	H	α-helix	trans	-67.2	-37.2	-172.8	-61.9	-12.2	0	0	0	111.3	N141 A142 V147 T148	N141-D145 PolarHBondContact O-N 3.07Å; A142-D145 PolarHBondContact O-N 2.82Å; D145-V147 PolarHBondContact O-N 2.89Å; D145-V147 VanDerWaalsContact O-N 3.16Å; D145-T148 PolarHBondContact O-N 3.24Å; D145-T148 VanDerWaalsContact O-N 3.17Å
146	V	97.3	Very high	96.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-63.2	-21.4	178.2	76.7	0	0	0	0	113.3	A142 S143 R144 T148 L149 V150 F165 L175 T236	A142-V146 WeakPolarHBondContact O-CB 3.03Å; A142-V146 WeakPolarHBondContact O-CG1 3.31Å; A142-V146 PolarHBondContact O-N 3.13Å; S143-V146 WeakPolarHBondContact O-CG1 3.35Å; R144-V146 VanDerWaalsContact C-N 3.35Å; R144-V146 PolarHBondContact O-N 2.75Å; V146-T148 VanDerWaalsContact C-N 3.27Å; V146-T148 PolarHBondContact O-N 2.77Å; V146-L149 HydrophobicContact CG2-CD2 4.22Å; V146-L149 WeakPolarHBondContact O-CB 3.37Å; V146-L149 PolarHBondContact O-N 3.32Å; V146-V150 HydrophobicContact CG2-CG2 4.41Å; V146-V150 VanDerWaalsContact O-CG2 3.32Å; V146-V150 WeakPolarHBondContact O-CG2 3.34Å; V146-V150 PolarHBondContact O-N 3.15Å; V146-F165 HydrophobicContact CG2-CE1 3.86Å; V146-L175 HydrophobicContact CG1-CD1 4.28Å; V146-L175 HydrophobicContact CG1-CD2 3.77Å; V146-T236 HydrophobicContact CB-CG2 3.94Å; V146-T236 HydrophobicContact CG2-CG2 3.93Å
147	V	97.8	Very high	96.1	Very high	10 Å²	10	15.9 Å²	15.9	6%	0.061	9%	0.089	C	C	.	.	H	α-helix	trans	-62.5	-37.8	177	-178.4	0	0	0	0	110.8	S143 R144 D145 V150 K151 L178 W182	S143-V147 WeakPolarHBondContact O-CG2 3.38Å; R144-V147 WeakPolarHBondContact O-CB 3.24Å; R144-V147 WeakPolarHBondContact O-CG2 3.42Å; R144-V147 PolarHBondContact O-N 3.17Å; D145-V147 PolarHBondContact O-N 2.89Å; D145-V147 VanDerWaalsContact O-N 3.16Å; V147-V150 PolarHBondContact O-N 3.05Å; V147-K151 HydrophobicContact CG1-CD 4.32Å; V147-K151 HydrophobicContact CG1-CG 4.39Å; V147-K151 WeakPolarHBondContact O-CB 3.37Å; V147-K151 VanDerWaalsContact O-CG 3.32Å; V147-K151 WeakPolarHBondContact O-CG 3.35Å; V147-K151 PolarHBondContact O-N 3.31Å; V147-L178 HydrophobicContact CG2-CD2 3.58Å; V147-W182 HydrophobicContact CG1-CH2 4.41Å
148	T	97.4	Very high	95.8	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.025	12%	0.121	C	C	.	.	H	α-helix	trans	-66.1	-43	177.8	-53	0	0	0	0	111.3	D145 V146 K151 S152 Y394 F397 L398	D145-T148 PolarHBondContact O-N 3.24Å; D145-T148 VanDerWaalsContact O-N 3.17Å; V146-T148 VanDerWaalsContact C-N 3.27Å; V146-T148 PolarHBondContact O-N 2.77Å; T148-K151 PolarHBondContact O-N 3.05Å; T148-S152 PolarHBondContact O-N 3.3Å; T148-S152 PolarHBondContact O-OG 3.03Å; T148-Y394 HydrophobicContact CG2-CD2 3.87Å; T148-Y394 HydrophobicContact CG2-CE2 3.63Å; T148-F397 HydrophobicContact CG2-CB 3.92Å; T148-L398 HydrophobicContact CG2-CB 4.42Å; T148-L398 VanDerWaalsContact OG1-CD1 3.26Å; T148-L398 WeakPolarHBondContact OG1-CD1 3.38Å
149	L	98.1	Very high	95.7	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-55.3	-54.8	172.3	167.6	63.4	0	0	0	110.2	V146 K151 S152 V153 L234 D235 I238 F240	V146-L149 HydrophobicContact CG2-CD2 4.22Å; V146-L149 WeakPolarHBondContact O-CB 3.37Å; V146-L149 PolarHBondContact O-N 3.32Å; L149-K151 VanDerWaalsContact C-N 3.35Å; L149-K151 PolarHBondContact O-N 2.79Å; L149-S152 PolarHBondContact O-N 2.89Å; L149-S152 VanDerWaalsContact O-N 3.17Å; L149-S152 PolarHBondContact O-OG 3.36Å; L149-V153 HydrophobicContact CD1-CG2 4.02Å; L149-V153 WeakPolarHBondContact O-CG2 3.36Å; L149-V153 PolarHBondContact O-N 3.29Å; L149-L234 HydrophobicContact CD1-CD1 4.18Å; L149-L234 HydrophobicContact CD2-CB 4.1Å; L149-L234 HydrophobicContact CD2-CD1 4.44Å; L149-D235 WeakPolarHBondContact CD2-O 3.37Å; L149-I238 WeakPolarHBondContact CA-O 3.21Å; L149-I238 HydrophobicContact CD1-CB 3.92Å; L149-I238 HydrophobicContact CD1-CG2 3.92Å; L149-I238 WeakPolarHBondContact CD1-O 3.3Å; L149-F240 HydrophobicContact CD1-CD2 4.04Å; L149-F240 HydrophobicContact CD1-CE2 4.13Å
150	V	98.3	Very high	95.7	Very high	2 Å²	2	23.8 Å²	23.8	1%	0.012	11%	0.113	C	C	.	.	H	α-helix	trans	-58.2	-47	-177.6	171.2	0	0	0	0	110.5	V146 V147 S152 V153 L154 F163 F165 F179 W182	V146-V150 HydrophobicContact CG2-CG2 4.41Å; V146-V150 VanDerWaalsContact O-CG2 3.32Å; V146-V150 WeakPolarHBondContact O-CG2 3.34Å; V146-V150 PolarHBondContact O-N 3.15Å; V147-V150 PolarHBondContact O-N 3.05Å; V150-S152 PolarHBondContact O-N 3.1Å; V150-V153 PolarHBondContact O-N 3.47Å; V150-L154 HydrophobicContact CG1-CD1 3.57Å; V150-L154 HydrophobicContact CG1-CG 3.91Å; V150-L154 VanDerWaalsContact O-CB 3.26Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 WeakPolarHBondContact O-CG 3.46Å; V150-L154 PolarHBondContact O-N 3.21Å; V150-F163 HydrophobicContact CG1-CZ 4.42Å; V150-F163 HydrophobicContact CG2-CE1 4.32Å; V150-F163 HydrophobicContact CG2-CZ 4.49Å; V150-F165 HydrophobicContact CG2-CZ 4.37Å; V150-F179 HydrophobicContact CG1-CE1 3.96Å; V150-F179 HydrophobicContact CG1-CZ 3.91Å; V150-F179 HydrophobicContact CG2-CZ 3.98Å; V150-W182 HydrophobicContact CG1-CH2 3.93Å; V150-W182 HydrophobicContact CG1-CZ3 3.76Å
151	K	98.1	Very high	95.7	Very high	2 Å²	2	22.6 Å²	22.6	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-57.2	-46.8	176.4	-74.4	177.2	179.7	-177.7	0	112.4	V147 T148 L149 V153 L154 F155 W182 F397 L398 Y400 L405 D500	V147-K151 HydrophobicContact CG1-CD 4.32Å; V147-K151 HydrophobicContact CG1-CG 4.39Å; V147-K151 WeakPolarHBondContact O-CB 3.37Å; V147-K151 VanDerWaalsContact O-CG 3.32Å; V147-K151 WeakPolarHBondContact O-CG 3.35Å; V147-K151 PolarHBondContact O-N 3.31Å; T148-K151 PolarHBondContact O-N 3.05Å; L149-K151 VanDerWaalsContact C-N 3.35Å; L149-K151 PolarHBondContact O-N 2.79Å; K151-V153 PolarHBondContact O-N 2.88Å; K151-L154 PolarHBondContact O-N 3.38Å; K151-F155 VanDerWaalsContact O-CB 3.3Å; K151-F155 WeakPolarHBondContact O-CB 3.3Å; K151-F155 PolarHBondContact O-N 2.84Å; K151-W182 HydrophobicContact CG-CH2 3.78Å; K151-W182 HydrophobicContact CG-CZ2 4.07Å; K151-F397 WeakPolarHBondContact CD-O 3Å; K151-F397 PolarHBondContact NZ-O 3.01Å; K151-L398 PolarHBondContact NZ-O 3.37Å; K151-Y400 WeakPolarHBondContact CE-O 3.34Å; K151-Y400 PolarHBondContact NZ-O 2.82Å; K151-L405 HydrophobicContact CB-CD1 4.19Å; K151-L405 HydrophobicContact CG-CD1 3.99Å; K151-D500 WeakPolarHBondContact CE-OD1 3.31Å; K151-D500 IonicContact NZ-OD1 3.56Å; K151-D500 PolarHBondContact NZ-OD1 3.27Å; K151-D500 IonicContact NZ-OD2 3.51Å
152	S	97.7	Very high	95.9	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.8	-41.9	-179.8	71.9	0	0	0	0	112.3	T148 L149 V150 H156 F240	T148-S152 PolarHBondContact O-N 3.3Å; T148-S152 PolarHBondContact O-OG 3.03Å; L149-S152 PolarHBondContact O-N 2.89Å; L149-S152 VanDerWaalsContact O-N 3.17Å; L149-S152 PolarHBondContact O-OG 3.36Å; V150-S152 PolarHBondContact O-N 3.1Å; S152-H156 PolarHBondContact O-CD2 3.25Å; S152-H156 VanDerWaalsContact O-CD2 3.25Å; S152-F240 PolarHBondContact OG-N 3.36Å
153	V	97.8	Very high	96.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.9	-49.1	174.2	173.4	0	0	0	0	110.5	L149 V150 K151 F155 H156 R157 L161 F163 F240 I244	L149-V153 HydrophobicContact CD1-CG2 4.02Å; L149-V153 WeakPolarHBondContact O-CG2 3.36Å; L149-V153 PolarHBondContact O-N 3.29Å; V150-V153 PolarHBondContact O-N 3.47Å; K151-V153 PolarHBondContact O-N 2.88Å; V153-F155 VanDerWaalsContact C-N 3.28Å; V153-F155 PolarHBondContact O-N 3.04Å; V153-H156 PolarHBondContact O-N 2.85Å; V153-R157 WeakPolarHBondContact O-CB 3.34Å; V153-R157 PolarHBondContact O-N 3.09Å; V153-L161 HydrophobicContact CG1-CD1 3.75Å; V153-F163 HydrophobicContact CG1-CZ 4.22Å; V153-F240 HydrophobicContact CG2-CB 4.32Å; V153-F240 HydrophobicContact CG2-CD1 4.49Å; V153-F240 HydrophobicContact CG2-CD2 3.44Å; V153-F240 VanDerWaalsContact CG2-CD2 3.44Å; V153-F240 HydrophobicContact CG2-CE2 3.83Å; V153-F240 HydrophobicContact CG2-CG 3.82Å; V153-F240 HydrophobicContact CG2-CZ 4.49Å; V153-I244 HydrophobicContact CG1-CB 4.33Å; V153-I244 HydrophobicContact CG1-CD1 4.07Å; V153-I244 HydrophobicContact CG1-CG2 4.03Å; V153-I244 HydrophobicContact CG2-CD1 4.43Å
154	L	96.4	Very high	96.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.1	-29.3	-176.8	-72.3	-174.5	0	0	0	113.3	V150 K151 R157 L161 F163 W182 V184 V187 L405	V150-L154 HydrophobicContact CG1-CD1 3.57Å; V150-L154 HydrophobicContact CG1-CG 3.91Å; V150-L154 VanDerWaalsContact O-CB 3.26Å; V150-L154 WeakPolarHBondContact O-CB 3.42Å; V150-L154 WeakPolarHBondContact O-CG 3.46Å; V150-L154 PolarHBondContact O-N 3.21Å; K151-L154 PolarHBondContact O-N 3.38Å; L154-R157 WeakPolarHBondContact O-CG 3.43Å; L154-R157 PolarHBondContact O-NH1 2.03Å; L154-L161 HydrophobicContact CD2-CD1 3.83Å; L154-F163 HydrophobicContact CD2-CE2 4.16Å; L154-F163 HydrophobicContact CD2-CZ 4.47Å; L154-W182 HydrophobicContact CD1-CH2 4.16Å; L154-W182 HydrophobicContact CD1-CZ2 4.25Å; L154-V184 HydrophobicContact CD1-CG1 4.13Å; L154-V184 HydrophobicContact CD1-CG2 4.14Å; L154-V184 HydrophobicContact CD2-CG1 4.37Å; L154-V187 HydrophobicContact CD2-CG2 3.63Å; L154-L405 HydrophobicContact CB-CD1 3.94Å; L154-L405 HydrophobicContact CB-CD2 4.07Å; L154-L405 HydrophobicContact CB-CG 4.45Å; L154-L405 HydrophobicContact CD1-CD1 4.23Å
155	F	94.6	Very high	96.3	Very high	15 Å²	15	17.3 Å²	17.3	7%	0.066	8%	0.077	C	C	.	.	H	α-helix	trans	-69.5	-36	177.5	179	-94.8	0	0	0	112.4	I72 K73 K151 V153 F397 Y400 L405	I72-F155 HydrophobicContact CG2-CZ 4.44Å; K73-F155 HydrophobicContact CG-CE1 4.26Å; K73-F155 HydrophobicContact CG-CZ 4.1Å; K151-F155 VanDerWaalsContact O-CB 3.3Å; K151-F155 WeakPolarHBondContact O-CB 3.3Å; K151-F155 PolarHBondContact O-N 2.84Å; V153-F155 VanDerWaalsContact C-N 3.28Å; V153-F155 PolarHBondContact O-N 3.04Å; F155-F397 HydrophobicContact CB-CD1 4.47Å; F155-F397 HydrophobicContact CB-CE1 3.66Å; F155-F397 HydrophobicContact CB-CZ 4.43Å; F155-F397 AromaticContact CD1-CE1 3.76Å; F155-F397 HydrophobicContact CD1-CE1 3.76Å; F155-F397 AromaticContact CD1-CZ 3.93Å; F155-F397 HydrophobicContact CD1-CZ 3.93Å; F155-F397 HydrophobicContact CD2-CE1 4.25Å; F155-F397 HydrophobicContact CE1-CE1 4.45Å; F155-F397 HydrophobicContact CE1-CZ 4.48Å; F155-F397 AromaticContact CG-CE1 3.64Å; F155-F397 HydrophobicContact CG-CE1 3.64Å; F155-F397 HydrophobicContact CG-CZ 4.28Å; F155-Y400 HydrophobicContact CD2-CE1 4.35Å; F155-Y400 HydrophobicContact CD2-CE2 4.02Å; F155-Y400 AromaticContact CD2-CZ 3.8Å; F155-Y400 AromaticContact CE2-CE2 3.89Å; F155-Y400 HydrophobicContact CE2-CE2 3.89Å; F155-Y400 AromaticContact CE2-CZ 3.99Å; F155-L405 HydrophobicContact CB-CD2 4.34Å
156	H	93	Very high	96.6	Very high	40 Å²	40	14.9 Å²	14.9	19%	0.185	6%	0.064	C	C	.	.	H	α-helix	trans	-95.8	-10.2	-178.3	-68.2	-71.7	0	0	0	114.2	S152 V153 A241 T242 D243 F397	S152-H156 PolarHBondContact O-CD2 3.25Å; S152-H156 VanDerWaalsContact O-CD2 3.25Å; V153-H156 PolarHBondContact O-N 2.85Å; H156-A241 PolarHBondContact CE1-O 3.31Å; H156-T242 VanDerWaalsContact CB-C 3.47Å; H156-T242 VanDerWaalsContact CB-O 3.24Å; H156-T242 WeakPolarHBondContact CB-O 3.35Å; H156-D243 WeakPolarHBondContact O-CB 3.37Å; H156-F397 AromaticContact NE2-CZ 3.7Å
157	R	92.4	Very high	96.6	Very high	7 Å²	7	15 Å²	15	3%	0.026	7%	0.065	C	C	.	.			trans	-61.1	142.6	-171.8	80.9	-179.4	-172.7	-95.3	11.3	113.1	V153 L154 L161 P185 F410	V153-R157 WeakPolarHBondContact O-CB 3.34Å; V153-R157 PolarHBondContact O-N 3.09Å; L154-R157 WeakPolarHBondContact O-CG 3.43Å; L154-R157 PolarHBondContact O-NH1 2.03Å; R157-L161 HydrophobicContact CB-CD1 4Å; R157-P185 PolarHBondContact NH2-O 3.15Å; R157-P185 VanDerWaalsContact NH2-O 3.16Å; R157-F410 HydrophobicContact CG-CE1 3.82Å
158	R	90.9	Very high	96.6	Very high	178 Å²	178	15.8 Å²	15.8	67%	0.672	7%	0.069	S	C	*	.			trans	-125.2	4.6	167.7	-58.5	178.2	176	178.5	-2.5	113.9	D243 F410	R158-D243 VanDerWaalsContact CB-OD2 3.23Å; R158-D243 WeakPolarHBondContact CB-OD2 3.28Å; R158-D243 VanDerWaalsContact CD-OD2 3.29Å; R158-D243 WeakPolarHBondContact CD-OD2 3.49Å; R158-D243 WeakPolarHBondContact CG-OD2 3.4Å; R158-F410 WeakPolarHBondContact O-CD2 3.48Å; R158-F410 WeakPolarHBondContact O-CG 3.5Å
159	N	93.8	Very high	96.6	Very high	10 Å²	10	20 Å²	20	5%	0.053	10%	0.098	C	C	.	.	S	Bend	trans	-130.1	152.8	-176.6	-80.6	78.7	0	0	0	110.2	Q126 E129 I131 F410	Q126-N159 PolarHBondContact O-ND2 3.34Å; E129-N159 PolarHBondContact N-ND2 2.95Å; E129-N159 PolarHBondContact O-ND2 3.45Å; I131-N159 HydrophobicContact CD1-CB 3.6Å; I131-N159 HydrophobicContact CG1-CB 4.1Å; N159-F410 VanDerWaalsContact O-CZ 3.31Å; N159-F410 WeakPolarHBondContact O-CZ 3.39Å
160	P	95.1	Very high	96.5	Very high	16 Å²	16	22 Å²	22	10%	0.104	11%	0.11	C	C	.	.			trans	-61.2	145.4	170.2	25.3	-30.6	0	0	0	110.2	C128 L130 I131 S186	C128-P160 WeakPolarHBondContact O-CG 3.24Å; L130-P160 HydrophobicContact CD1-CB 3.92Å; L130-P160 HydrophobicContact CD1-CG 4.34Å; I131-P160 PolarHBondContact N-O 3.04Å; P160-S186 WeakPolarHBondContact CA-O 3.37Å
161	L	96.8	Very high	96.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.5	-175.6	-69.9	165.1	0	0	0	111.2	I131 V133 V153 L154 R157 F163 S186 V187 Q188 I244	I131-L161 HydrophobicContact CB-CD2 3.74Å; I131-L161 HydrophobicContact CG2-CD2 3.8Å; I131-L161 WeakPolarHBondContact O-CA 3.25Å; V133-L161 HydrophobicContact CG2-CD2 4.14Å; V153-L161 HydrophobicContact CG1-CD1 3.75Å; L154-L161 HydrophobicContact CD2-CD1 3.83Å; R157-L161 HydrophobicContact CB-CD1 4Å; L161-F163 HydrophobicContact CB-CE2 4.05Å; L161-F163 HydrophobicContact CD1-CE2 4.18Å; L161-F163 HydrophobicContact CD1-CZ 4.12Å; L161-S186 PolarHBondContact N-O 3.31Å; L161-V187 CarbonylContact O-C 3.53Å; L161-V187 WeakPolarHBondContact O-CA 3.28Å; L161-Q188 PolarHBondContact O-N 2.97Å; L161-I244 HydrophobicContact CD2-CG2 3.9Å
162	H	98.1	Very high	96.5	Very high	22 Å²	22	23.9 Å²	23.9	10%	0.102	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	112	165.7	-168.6	170.5	0	0	0	109.4	L130 I131 H132 V133 H164 Q188 S190	L130-H162 HydrophobicContact CD1-CB 4.14Å; L130-H162 HydrophobicContact CD2-CB 4.25Å; L130-H162 HydrophobicContact CG-CB 4.29Å; I131-H162 PolarHBondContact O-N 2.83Å; H132-H162 AromaticContact CE1-ND1 3.77Å; H132-H162 AromaticContact ND1-CG 4Å; H132-H162 AromaticContact ND1-ND1 3.8Å; V133-H162 PolarHBondContact N-O 3.04Å; H162-H164 AromaticContact CD2-CE1 3.68Å; H162-H164 AromaticContact CD2-ND1 3.9Å; H162-H164 AromaticContact CE1-CE1 3.32Å; H162-H164 PolarHBondContact CE1-CE1 2.85Å; H162-H164 AromaticContact CE1-ND1 3.94Å; H162-H164 AromaticContact CG-CE1 3.61Å; H162-H164 AromaticContact CG-NE2 3.8Å; H162-H164 AromaticContact ND1-CE1 3.36Å; H162-H164 PolarHBondContact ND1-CE1 3.16Å; H162-H164 AromaticContact ND1-NE2 3.79Å; H162-H164 AromaticContact NE2-CE1 3.49Å; H162-H164 PolarHBondContact NE2-CE1 3.03Å; H162-H164 AromaticContact NE2-ND1 3.68Å; H162-Q188 CarbonylContact C-O 3.51Å; H162-Q188 WeakPolarHBondContact CA-O 3.42Å; H162-Q188 HydrophobicContact CB-CB 4.24Å; H162-Q188 PolarHBondContact CD2-O 3.48Å; H162-S190 PolarHBondContact CE1-OG 2.69Å; H162-S190 PolarHBondContact NE2-OG 3.07Å
163	F	98.7	Very high	96.5	Very high	1 Å²	1	28.9 Å²	28.9	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	128.5	172	-66.2	-83.5	0	0	0	111.2	V133 V150 V153 L154 L161 F165 V187 Q188 V189 S190	V133-F163 HydrophobicContact CB-CD1 3.87Å; V133-F163 HydrophobicContact CB-CE1 4.06Å; V133-F163 HydrophobicContact CG1-CD1 3.99Å; V133-F163 HydrophobicContact CG1-CE1 4Å; V133-F163 HydrophobicContact CG2-CE1 4.41Å; V133-F163 CarbonylContact O-C 3.54Å; V133-F163 WeakPolarHBondContact O-CA 3.3Å; V150-F163 HydrophobicContact CG1-CZ 4.42Å; V150-F163 HydrophobicContact CG2-CE1 4.32Å; V150-F163 HydrophobicContact CG2-CZ 4.49Å; V153-F163 HydrophobicContact CG1-CZ 4.22Å; L154-F163 HydrophobicContact CD2-CE2 4.16Å; L154-F163 HydrophobicContact CD2-CZ 4.47Å; L161-F163 HydrophobicContact CB-CE2 4.05Å; L161-F163 HydrophobicContact CD1-CE2 4.18Å; L161-F163 HydrophobicContact CD1-CZ 4.12Å; F163-F165 HydrophobicContact CB-CD2 4.15Å; F163-F165 HydrophobicContact CB-CE2 3.47Å; F163-F165 VanDerWaalsContact CB-CE2 3.47Å; F163-F165 HydrophobicContact CB-CZ 3.87Å; F163-F165 HydrophobicContact CD1-CZ 4.22Å; F163-F165 HydrophobicContact CG-CE2 4.21Å; F163-F165 HydrophobicContact CG-CZ 4.21Å; F163-V187 HydrophobicContact CD2-CG1 3.8Å; F163-V187 HydrophobicContact CE2-CG1 3.93Å; F163-Q188 PolarHBondContact N-O 3.33Å; F163-V189 HydrophobicContact CB-CG1 4.48Å; F163-V189 HydrophobicContact CB-CG2 4.4Å; F163-V189 CarbonylContact O-C 3.45Å; F163-V189 VanDerWaalsContact O-CA 3.3Å; F163-V189 WeakPolarHBondContact O-CA 3.27Å; F163-S190 PolarHBondContact O-N 3.34Å
164	H	98.8	Very high	96.5	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	109.9	175.1	-61.3	-66.3	0	0	0	108.7	H132 V133 A134 C135 H162 Y192 L224	H132-H164 AromaticContact CE1-NE2 3.99Å; H132-H164 AromaticContact CG-NE2 3.77Å; H132-H164 AromaticContact ND1-CD2 4Å; H132-H164 AromaticContact ND1-CE1 3.81Å; H132-H164 AromaticContact ND1-NE2 2.95Å; H132-H164 PolarHBondContact ND1-NE2 3.11Å; V133-H164 PolarHBondContact O-N 2.89Å; A134-H164 CarbonylContact C-O 3.19Å; A134-H164 VanDerWaalsContact CA-O 3.25Å; A134-H164 WeakPolarHBondContact CA-O 3.45Å; A134-H164 HydrophobicContact CB-CB 4.22Å; C135-H164 PolarHBondContact N-O 3.04Å; H162-H164 AromaticContact CD2-CE1 3.68Å; H162-H164 AromaticContact CD2-ND1 3.9Å; H162-H164 AromaticContact CE1-CE1 3.32Å; H162-H164 PolarHBondContact CE1-CE1 2.85Å; H162-H164 AromaticContact CE1-ND1 3.94Å; H162-H164 AromaticContact CG-CE1 3.61Å; H162-H164 AromaticContact CG-NE2 3.8Å; H162-H164 AromaticContact ND1-CE1 3.36Å; H162-H164 PolarHBondContact ND1-CE1 3.16Å; H162-H164 AromaticContact ND1-NE2 3.79Å; H162-H164 AromaticContact NE2-CE1 3.49Å; H162-H164 PolarHBondContact NE2-CE1 3.03Å; H162-H164 AromaticContact NE2-ND1 3.68Å; H164-Y192 HydrophobicContact CB-CD2 4.5Å; H164-Y192 HydrophobicContact CB-CE2 3.71Å; H164-Y192 AromaticContact ND1-CE2 3.76Å; H164-Y192 AromaticContact ND1-CZ 3.86Å; H164-Y192 PolarHBondContact ND1-OH 2.84Å; H164-L224 HydrophobicContact CB-CD2 3.6Å
165	F	98.7	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	121.5	-179.9	-65.7	-77.3	0	0	0	111	C135 C137 V146 V150 F163 T167 L175 F179 V189 S190 F191 Y192	C135-F165 HydrophobicContact CB-CD1 3.68Å; C135-F165 HydrophobicContact CB-CE1 3.73Å; C135-F165 WeakPolarHBondContact O-CA 3.42Å; C137-F165 HydrophobicContact CB-CD1 4.28Å; V146-F165 HydrophobicContact CG2-CE1 3.86Å; V150-F165 HydrophobicContact CG2-CZ 4.37Å; F163-F165 HydrophobicContact CB-CD2 4.15Å; F163-F165 HydrophobicContact CB-CE2 3.47Å; F163-F165 VanDerWaalsContact CB-CE2 3.47Å; F163-F165 HydrophobicContact CB-CZ 3.87Å; F163-F165 HydrophobicContact CD1-CZ 4.22Å; F163-F165 HydrophobicContact CG-CE2 4.21Å; F163-F165 HydrophobicContact CG-CZ 4.21Å; F165-T167 HydrophobicContact CB-CG2 3.52Å; F165-L175 HydrophobicContact CD1-CD1 4.08Å; F165-L175 HydrophobicContact CD2-CD1 4.45Å; F165-L175 HydrophobicContact CE1-CD1 4.32Å; F165-L175 HydrophobicContact CG-CD1 4.17Å; F165-F179 HydrophobicContact CE2-CD2 4.37Å; F165-F179 AromaticContact CE2-CE2 3.51Å; F165-F179 HydrophobicContact CE2-CE2 3.51Å; F165-F179 AromaticContact CE2-CZ 3.88Å; F165-F179 HydrophobicContact CE2-CZ 3.88Å; F165-F179 AromaticContact CZ-CE2 3.83Å; F165-F179 HydrophobicContact CZ-CE2 3.83Å; F165-F179 AromaticContact CZ-CZ 3.97Å; F165-F179 HydrophobicContact CZ-CZ 3.97Å; F165-V189 HydrophobicContact CD2-CG1 3.53Å; F165-V189 HydrophobicContact CE2-CG1 3.67Å; F165-S190 PolarHBondContact N-O 3.1Å; F165-F191 HydrophobicContact CB-CD1 3.84Å; F165-F191 HydrophobicContact CB-CE1 4.08Å; F165-F191 HydrophobicContact CD2-CD1 4.35Å; F165-F191 AromaticContact CD2-CE1 3.83Å; F165-F191 HydrophobicContact CD2-CE1 3.83Å; F165-F191 HydrophobicContact CD2-CZ 4.45Å; F165-F191 HydrophobicContact CG-CD1 4.49Å; F165-F191 HydrophobicContact CG-CE1 4.25Å; F165-F191 CarbonylContact O-C 3.52Å; F165-F191 WeakPolarHBondContact O-CA 3.32Å; F165-Y192 PolarHBondContact O-N 2.99Å
166	I	98.4	Very high	96.8	Very high	1 Å²	1	29 Å²	29	1%	0.005	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	117.1	161.3	-61.4	177.5	0	0	0	106.9	C135 V136 C137 Y192 A194 L197 L220 A223	C135-I166 PolarHBondContact O-N 3.32Å; V136-I166 HydrophobicContact CG2-CB 4.32Å; V136-I166 HydrophobicContact CG2-CD1 4.3Å; C137-I166 PolarHBondContact N-O 3.25Å; I166-Y192 WeakPolarHBondContact CA-O 3.4Å; I166-A194 HydrophobicContact CG2-CB 3.86Å; I166-L197 HydrophobicContact CD1-CD1 4.08Å; I166-L197 HydrophobicContact CG1-CD1 4.46Å; I166-L197 HydrophobicContact CG2-CD1 4.07Å; I166-L220 HydrophobicContact CD1-CD2 3.46Å; I166-L220 VanDerWaalsContact CD1-CD2 3.46Å; I166-L220 HydrophobicContact CD1-CG 4.23Å; I166-L220 HydrophobicContact CG1-CD2 4.29Å; I166-A223 HydrophobicContact CD1-CB 4.02Å; I166-A223 HydrophobicContact CG1-CB 4.45Å
167	T	98.2	Very high	97	Very high	2 Å²	2	28.6 Å²	28.6	1%	0.012	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.8	-168.7	57.2	0	0	0	0	112.9	C137 F165 A171 S172 L175 F191 Y192 A194	C137-T167 VanDerWaalsContact O-CA 3.28Å; C137-T167 WeakPolarHBondContact O-CA 3.47Å; C137-T167 WeakPolarHBondContact O-CG2 3.28Å; F165-T167 HydrophobicContact CB-CG2 3.52Å; T167-A171 HydrophobicContact CG2-CB 4.05Å; T167-S172 WeakPolarHBondContact OG1-CB 3.33Å; T167-L175 HydrophobicContact CG2-CD1 4.45Å; T167-F191 HydrophobicContact CG2-CD1 3.85Å; T167-F191 HydrophobicContact CG2-CE1 4.43Å; T167-Y192 PolarHBondContact N-O 2.9Å; T167-A194 WeakPolarHBondContact O-CB 3.24Å; T167-A194 PolarHBondContact O-N 2.85Å
168	D	97.3	Very high	97.3	Very high	27 Å²	27	28.3 Å²	28.3	14%	0.144	15%	0.148	C	C	.	.			trans	-76.1	172.7	156.9	65.1	-4	0	0	0	110.9	A138 G139 V170 A171 S172	A138-D168 HydrophobicContact CB-CB 4.31Å; G139-D168 VanDerWaalsContact N-CG 3.3Å; G139-D168 PolarHBondContact N-OD1 3.4Å; G139-D168 PolarHBondContact N-OD2 2.9Å; D168-V170 PolarHBondContact O-N 2.84Å; D168-A171 PolarHBondContact O-N 2.89Å; D168-A171 WeakPolarHBondContact OD1-CB 3.26Å; D168-A171 PolarHBondContact OD1-N 3.02Å; D168-S172 WeakPolarHBondContact O-CB 3.47Å; D168-S172 PolarHBondContact O-N 2.86Å
169	S	96.6	Very high	97.6	Very high	92 Å²	92	20.9 Å²	20.9	64%	0.643	12%	0.121	S	C	*	.	H	α-helix	trans	-59.6	-33.4	-179.7	60.7	0	0	0	0	112.9	R173	S169-R173 WeakPolarHBondContact O-CB 3.41Å; S169-R173 PolarHBondContact O-N 2.75Å; S169-R173 VanDerWaalsContact O-N 3.11Å
170	V	96.8	Very high	97.6	Very high	43 Å²	43	28.4 Å²	28.4	26%	0.261	15%	0.149	S	C	.	.	H	α-helix	trans	-64	-56.7	176.8	174.9	0	0	0	0	110.5	D168 S172 R173 I174	D168-V170 PolarHBondContact O-N 2.84Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.89Å; V170-R173 PolarHBondContact O-N 2.75Å; V170-I174 HydrophobicContact CG1-CD1 3.8Å; V170-I174 VanDerWaalsContact O-CG1 3.31Å; V170-I174 WeakPolarHBondContact O-CG1 3.05Å; V170-I174 PolarHBondContact O-N 2.9Å; V170-I174 VanDerWaalsContact O-N 3.07Å
171	A	98	Very high	97.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65	-37.9	-178.5	0	0	0	0	0	112	C137 S143 T167 D168 R173 I174 L175	C137-A171 WeakPolarHBondContact O-CB 3.04Å; S143-A171 VanDerWaalsContact OG-CA 3.27Å; S143-A171 WeakPolarHBondContact OG-CA 3.46Å; S143-A171 WeakPolarHBondContact OG-CB 3.46Å; T167-A171 HydrophobicContact CG2-CB 4.05Å; D168-A171 PolarHBondContact O-N 2.89Å; D168-A171 WeakPolarHBondContact OD1-CB 3.26Å; D168-A171 PolarHBondContact OD1-N 3.02Å; A171-R173 PolarHBondContact O-N 2.96Å; A171-I174 PolarHBondContact O-N 3.12Å; A171-L175 VanDerWaalsContact O-CB 3.3Å; A171-L175 WeakPolarHBondContact O-CB 3.38Å; A171-L175 WeakPolarHBondContact O-CG 3.21Å; A171-L175 PolarHBondContact O-N 3.32Å
172	S	98.2	Very high	97.6	Very high	44 Å²	44	28.3 Å²	28.3	31%	0.308	15%	0.148	S	C	.	.	H	α-helix	trans	-57.5	-47	174.7	-177	0	0	0	0	111.9	T167 D168 V170 G176	T167-S172 WeakPolarHBondContact OG1-CB 3.33Å; D168-S172 WeakPolarHBondContact O-CB 3.47Å; D168-S172 PolarHBondContact O-N 2.86Å; V170-S172 VanDerWaalsContact C-N 3.33Å; V170-S172 PolarHBondContact O-N 2.89Å; S172-G176 WeakPolarHBondContact O-CA 3.38Å; S172-G176 PolarHBondContact O-N 2.92Å
173	R	97.8	Very high	97.3	Very high	106 Å²	106	29.3 Å²	29.3	40%	0.4	15%	0.154	S	C	.	.	H	α-helix	trans	-64.3	-43.9	177.6	-177.1	174.5	175.3	179	-3	112.2	S169 V170 A171 S177 L451 Y452 N546	S169-R173 WeakPolarHBondContact O-CB 3.41Å; S169-R173 PolarHBondContact O-N 2.75Å; S169-R173 VanDerWaalsContact O-N 3.11Å; V170-R173 PolarHBondContact O-N 2.75Å; A171-R173 PolarHBondContact O-N 2.96Å; R173-S177 WeakPolarHBondContact O-CB 3.42Å; R173-S177 PolarHBondContact O-N 2.94Å; R173-S177 VanDerWaalsContact O-N 3.13Å; R173-L451 HydrophobicContact CG-CD1 4.38Å; R173-Y452 PolarHBondContact NH2-OH 3.14Å; R173-Y452 VanDerWaalsContact NH2-OH 3.16Å; R173-N546 PolarHBondContact NH2-OD1 3.23Å
174	I	98.6	Very high	97	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-66.4	-56.1	-178.5	-65.6	171.5	0	0	0	110.6	V170 A171 S177 L178 H450 L451 Y452	V170-I174 HydrophobicContact CG1-CD1 3.8Å; V170-I174 VanDerWaalsContact O-CG1 3.31Å; V170-I174 WeakPolarHBondContact O-CG1 3.05Å; V170-I174 PolarHBondContact O-N 2.9Å; V170-I174 VanDerWaalsContact O-N 3.07Å; A171-I174 PolarHBondContact O-N 3.12Å; I174-S177 PolarHBondContact O-N 2.96Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 PolarHBondContact O-N 2.9Å; I174-H450 WeakPolarHBondContact CG2-CE1 3.32Å; I174-L451 HydrophobicContact CG1-CB 4.48Å; I174-L451 WeakPolarHBondContact CG1-O 3.04Å; I174-Y452 HydrophobicContact CG1-CD2 4.49Å
175	L	98.4	Very high	96.6	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-68.6	-36.2	-177.2	-65.1	-179.9	0	0	0	111.5	C137 V146 F165 T167 A171 L178 F179 F191	C137-L175 HydrophobicContact CB-CD1 4.34Å; V146-L175 HydrophobicContact CG1-CD1 4.28Å; V146-L175 HydrophobicContact CG1-CD2 3.77Å; F165-L175 HydrophobicContact CD1-CD1 4.08Å; F165-L175 HydrophobicContact CD2-CD1 4.45Å; F165-L175 HydrophobicContact CE1-CD1 4.32Å; F165-L175 HydrophobicContact CG-CD1 4.17Å; T167-L175 HydrophobicContact CG2-CD1 4.45Å; A171-L175 VanDerWaalsContact O-CB 3.3Å; A171-L175 WeakPolarHBondContact O-CB 3.38Å; A171-L175 WeakPolarHBondContact O-CG 3.21Å; A171-L175 PolarHBondContact O-N 3.32Å; L175-L178 HydrophobicContact CD2-CD2 4.45Å; L175-L178 PolarHBondContact O-N 2.88Å; L175-F179 HydrophobicContact CB-CD2 4.32Å; L175-F179 HydrophobicContact CD2-CE2 4.47Å; L175-F179 WeakPolarHBondContact O-CD2 3.35Å; L175-F179 PolarHBondContact O-N 2.97Å; L175-F191 HydrophobicContact CB-CE1 3.54Å; L175-F191 HydrophobicContact CB-CZ 3.8Å; L175-F191 HydrophobicContact CD1-CE1 4.24Å
176	G	97.8	Very high	96.2	Very high	15 Å²	15	32.6 Å²	32.6	16%	0.155	18%	0.175	C	C	.	.	H	α-helix	trans	-60.9	-44.2	174.5	0	0	0	0	0	112.3	S172 R180	S172-G176 WeakPolarHBondContact O-CA 3.38Å; S172-G176 PolarHBondContact O-N 2.92Å; G176-R180 WeakPolarHBondContact O-CB 3.38Å; G176-R180 PolarHBondContact O-N 3.47Å
177	S	97.8	Very high	96	Very high	32 Å²	32	33.8 Å²	33.8	22%	0.224	18%	0.182	C	C	.	.	H	α-helix	trans	-64.2	-43.9	172.4	-177.4	0	0	0	0	111.6	R173 I174 S181	R173-S177 WeakPolarHBondContact O-CB 3.42Å; R173-S177 PolarHBondContact O-N 2.94Å; R173-S177 VanDerWaalsContact O-N 3.13Å; I174-S177 PolarHBondContact O-N 2.96Å; S177-S181 WeakPolarHBondContact O-CB 3.15Å; S177-S181 PolarHBondContact O-N 3.09Å; S177-S181 PolarHBondContact O-OG 2.91Å
178	L	98.2	Very high	95.8	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.206	C	C	.	.	H	α-helix	trans	-62.8	-56.6	-177.7	-178	64.7	0	0	0	111.3	V147 I174 L175 R180 S181 W182 R448 V449 H450 Y528	V147-L178 HydrophobicContact CG2-CD2 3.58Å; I174-L178 WeakPolarHBondContact O-CB 3.48Å; I174-L178 PolarHBondContact O-N 2.9Å; L175-L178 HydrophobicContact CD2-CD2 4.45Å; L175-L178 PolarHBondContact O-N 2.88Å; L178-R180 PolarHBondContact O-N 2.82Å; L178-S181 PolarHBondContact O-N 2.64Å; L178-S181 PolarHBondContact O-OG 2.78Å; L178-S181 VanDerWaalsContact O-OG 3.05Å; L178-W182 HydrophobicContact CD2-CE3 4.49Å; L178-W182 HydrophobicContact CG-CE3 4.23Å; L178-W182 WeakPolarHBondContact O-CB 3.21Å; L178-W182 PolarHBondContact O-N 3.47Å; L178-R448 HydrophobicContact CD1-CG 3.45Å; L178-R448 VanDerWaalsContact CD1-CG 3.45Å; L178-V449 VanDerWaalsContact CA-O 3.3Å; L178-V449 WeakPolarHBondContact CA-O 3.31Å; L178-V449 PolarHBondContact N-O 3.11Å; L178-H450 HydrophobicContact CD1-CB 4.32Å; L178-Y528 HydrophobicContact CD1-CE2 4.33Å
179	F	97.1	Very high	95.8	Very high	22 Å²	22	39.5 Å²	39.5	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-65.5	-37.2	-177.1	-81.1	-76.9	0	0	0	112.9	V150 F165 L175 W182 M183 V187 V189	V150-F179 HydrophobicContact CG1-CE1 3.96Å; V150-F179 HydrophobicContact CG1-CZ 3.91Å; V150-F179 HydrophobicContact CG2-CZ 3.98Å; F165-F179 HydrophobicContact CE2-CD2 4.37Å; F165-F179 AromaticContact CE2-CE2 3.51Å; F165-F179 HydrophobicContact CE2-CE2 3.51Å; F165-F179 AromaticContact CE2-CZ 3.88Å; F165-F179 HydrophobicContact CE2-CZ 3.88Å; F165-F179 AromaticContact CZ-CE2 3.83Å; F165-F179 HydrophobicContact CZ-CE2 3.83Å; F165-F179 AromaticContact CZ-CZ 3.97Å; F165-F179 HydrophobicContact CZ-CZ 3.97Å; L175-F179 HydrophobicContact CB-CD2 4.32Å; L175-F179 HydrophobicContact CD2-CE2 4.47Å; L175-F179 WeakPolarHBondContact O-CD2 3.35Å; L175-F179 PolarHBondContact O-N 2.97Å; F179-W182 HydrophobicContact CD1-CE3 4.3Å; F179-W182 HydrophobicContact CE1-CE3 4.31Å; F179-W182 HydrophobicContact CE1-CZ3 4.43Å; F179-W182 PolarHBondContact O-N 3.03Å; F179-M183 PolarHBondContact O-N 3.44Å; F179-M183 VanDerWaalsContact O-N 3.11Å; F179-V187 HydrophobicContact CE1-CG1 4.5Å; F179-V189 HydrophobicContact CB-CG2 4.03Å; F179-V189 HydrophobicContact CD1-CG2 3.61Å; F179-V189 HydrophobicContact CD2-CG1 4.26Å; F179-V189 HydrophobicContact CD2-CG2 4.04Å; F179-V189 HydrophobicContact CE1-CG2 3.96Å; F179-V189 HydrophobicContact CE2-CG2 4.37Å; F179-V189 HydrophobicContact CG-CG2 3.64Å; F179-V189 HydrophobicContact CZ-CG2 4.32Å
180	R	95.4	Very high	95.9	Very high	169 Å²	169	36.9 Å²	36.9	64%	0.638	19%	0.193	S	C	*	.	H	α-helix	trans	-62	-45.5	175.3	-170.6	-172.3	-51.4	-175.3	0.7	111.7	G176 L178 M183	G176-R180 WeakPolarHBondContact O-CB 3.38Å; G176-R180 PolarHBondContact O-N 3.47Å; L178-R180 PolarHBondContact O-N 2.82Å; R180-M183 WeakPolarHBondContact O-CG 3.39Å
181	S	95.5	Very high	96	Very high	15 Å²	15	38 Å²	38	11%	0.105	19%	0.194	C	C	.	.	H	α-helix	trans	-77.7	-22	178.3	60.6	0	0	0	0	113.5	S177 L178 R406 H447 V449	S177-S181 WeakPolarHBondContact O-CB 3.15Å; S177-S181 PolarHBondContact O-N 3.09Å; S177-S181 PolarHBondContact O-OG 2.91Å; L178-S181 PolarHBondContact O-N 2.64Å; L178-S181 PolarHBondContact O-OG 2.78Å; L178-S181 VanDerWaalsContact O-OG 3.05Å; S181-R406 PolarHBondContact O-NH2 2.97Å; S181-H447 WeakPolarHBondContact CB-O 3.47Å; S181-V449 PolarHBondContact OG-N 3.26Å
182	W	95.5	Very high	96	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-75.2	-33.9	177.4	-160.3	-5.1	0	0	0	111.7	V147 V150 K151 L154 L178 F179 V184 G402 L405 R406 R448	V147-W182 HydrophobicContact CG1-CH2 4.41Å; V150-W182 HydrophobicContact CG1-CH2 3.93Å; V150-W182 HydrophobicContact CG1-CZ3 3.76Å; K151-W182 HydrophobicContact CG-CH2 3.78Å; K151-W182 HydrophobicContact CG-CZ2 4.07Å; L154-W182 HydrophobicContact CD1-CH2 4.16Å; L154-W182 HydrophobicContact CD1-CZ2 4.25Å; L178-W182 HydrophobicContact CD2-CE3 4.49Å; L178-W182 HydrophobicContact CG-CE3 4.23Å; L178-W182 WeakPolarHBondContact O-CB 3.21Å; L178-W182 PolarHBondContact O-N 3.47Å; F179-W182 HydrophobicContact CD1-CE3 4.3Å; F179-W182 HydrophobicContact CE1-CE3 4.31Å; F179-W182 HydrophobicContact CE1-CZ3 4.43Å; F179-W182 PolarHBondContact O-N 3.03Å; W182-V184 VanDerWaalsContact C-N 3.28Å; W182-V184 HydrophobicContact CB-CG2 4.27Å; W182-V184 VanDerWaalsContact CD1-CG2 3.43Å; W182-V184 HydrophobicContact CD2-CG2 3.74Å; W182-V184 HydrophobicContact CG-CG2 3.54Å; W182-V184 PolarHBondContact O-N 3.26Å; W182-G402 PolarHBondContact NE1-O 2.87Å; W182-L405 HydrophobicContact CH2-CD1 4.45Å; W182-L405 HydrophobicContact CZ2-CD1 3.72Å; W182-R406 VanDerWaalsContact O-CD 3.31Å; W182-R406 WeakPolarHBondContact O-CD 3.13Å; W182-R406 WeakPolarHBondContact O-CG 3.26Å; W182-R406 PolarHBondContact O-NE 3.4Å; W182-R448 HydrophobicContact CB-CG 4.1Å; W182-R448 VanDerWaalsContact CG-CD 3.44Å; W182-R448 HydrophobicContact CG-CG 4.19Å
183	M	92.1	Very high	96	Very high	43 Å²	43	41.4 Å²	41.4	21%	0.212	21%	0.206	C	C	.	.			trans	49.2	44.7	174.2	-57.6	-171.4	-54.6	0	0	114	F179 R180 P185 L423 V446	F179-M183 PolarHBondContact O-N 3.44Å; F179-M183 VanDerWaalsContact O-N 3.11Å; R180-M183 WeakPolarHBondContact O-CG 3.39Å; M183-P185 WeakPolarHBondContact O-CD 3.37Å; M183-L423 HydrophobicContact CE-CD2 3.72Å; M183-L423 HydrophobicContact SD-CD2 4.48Å; M183-V446 HydrophobicContact CE-CB 3.44Å; M183-V446 VanDerWaalsContact CE-CB 3.44Å; M183-V446 HydrophobicContact CE-CG1 3.61Å; M183-V446 HydrophobicContact CE-CG2 3.72Å; M183-V446 HydrophobicContact SD-CB 4.36Å; M183-V446 HydrophobicContact SD-CG1 4.04Å; M183-V446 HydrophobicContact SD-CG2 4.3Å
184	V	92.1	Very high	95.9	Very high	15 Å²	15	36.5 Å²	36.5	9%	0.091	19%	0.188	C	C	.	.			trans	-70.7	124.1	179.3	179.2	0	0	0	0	109.8	L154 W182 V187 L405	L154-V184 HydrophobicContact CD1-CG1 4.13Å; L154-V184 HydrophobicContact CD1-CG2 4.14Å; L154-V184 HydrophobicContact CD2-CG1 4.37Å; W182-V184 VanDerWaalsContact C-N 3.28Å; W182-V184 HydrophobicContact CB-CG2 4.27Å; W182-V184 VanDerWaalsContact CD1-CG2 3.43Å; W182-V184 HydrophobicContact CD2-CG2 3.74Å; W182-V184 HydrophobicContact CG-CG2 3.54Å; W182-V184 PolarHBondContact O-N 3.26Å; V184-V187 HydrophobicContact CB-CB 4.19Å; V184-V187 HydrophobicContact CB-CG2 4.08Å; V184-V187 HydrophobicContact CG1-CB 4.16Å; V184-V187 HydrophobicContact CG1-CG2 3.51Å; V184-V187 PolarHBondContact O-N 3.22Å; V184-L405 WeakPolarHBondContact CG1-O 3.48Å
185	P	89.4	Confident	95.8	Very high	39 Å²	39	41.8 Å²	41.8	25%	0.253	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	144.8	179.6	-24	33.3	0	0	0	112.7	R157 M183 V187 R406	R157-P185 PolarHBondContact NH2-O 3.15Å; R157-P185 VanDerWaalsContact NH2-O 3.16Å; M183-P185 WeakPolarHBondContact O-CD 3.37Å; P185-V187 PolarHBondContact O-N 3.39Å; P185-R406 WeakPolarHBondContact CD-O 3.21Å; P185-R406 WeakPolarHBondContact CG-O 3.46Å
186	S	91	Very high	95.7	Very high	17 Å²	17	48.9 Å²	48.9	12%	0.119	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	28.4	178.9	-66.2	0	0	0	0	114.4	P160 L161 S414	P160-S186 WeakPolarHBondContact CA-O 3.37Å; L161-S186 PolarHBondContact N-O 3.31Å; S186-S414 WeakPolarHBondContact OG-CB 3.46Å; S186-S414 PolarHBondContact OG-OG 3.48Å
187	V	93.7	Very high	95.6	Very high	26 Å²	26	48.6 Å²	48.6	16%	0.158	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	123.4	174.3	176.5	0	0	0	0	109.8	L154 L161 F163 F179 V184 P185 V189	L154-V187 HydrophobicContact CD2-CG2 3.63Å; L161-V187 CarbonylContact O-C 3.53Å; L161-V187 WeakPolarHBondContact O-CA 3.28Å; F163-V187 HydrophobicContact CD2-CG1 3.8Å; F163-V187 HydrophobicContact CE2-CG1 3.93Å; F179-V187 HydrophobicContact CE1-CG1 4.5Å; V184-V187 HydrophobicContact CB-CB 4.19Å; V184-V187 HydrophobicContact CB-CG2 4.08Å; V184-V187 HydrophobicContact CG1-CB 4.16Å; V184-V187 HydrophobicContact CG1-CG2 3.51Å; V184-V187 PolarHBondContact O-N 3.22Å; P185-V187 PolarHBondContact O-N 3.39Å; V187-V189 HydrophobicContact CG1-CG2 4.33Å
188	Q	95.3	Very high	95.5	Very high	109 Å²	109	50.8 Å²	50.8	51%	0.509	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	150	173.6	-63.8	-179.8	4.5	0	0	110.1	L161 H162 F163	L161-Q188 PolarHBondContact O-N 2.97Å; H162-Q188 CarbonylContact C-O 3.51Å; H162-Q188 WeakPolarHBondContact CA-O 3.42Å; H162-Q188 HydrophobicContact CB-CB 4.24Å; H162-Q188 PolarHBondContact CD2-O 3.48Å; F163-Q188 PolarHBondContact N-O 3.33Å
189	V	97.6	Very high	95.4	Very high	40 Å²	40	54.3 Å²	54.3	24%	0.242	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	135.3	178.2	-170.9	0	0	0	0	110.3	F163 F165 F179 V187 F191	F163-V189 HydrophobicContact CB-CG1 4.48Å; F163-V189 HydrophobicContact CB-CG2 4.4Å; F163-V189 CarbonylContact O-C 3.45Å; F163-V189 VanDerWaalsContact O-CA 3.3Å; F163-V189 WeakPolarHBondContact O-CA 3.27Å; F165-V189 HydrophobicContact CD2-CG1 3.53Å; F165-V189 HydrophobicContact CE2-CG1 3.67Å; F179-V189 HydrophobicContact CB-CG2 4.03Å; F179-V189 HydrophobicContact CD1-CG2 3.61Å; F179-V189 HydrophobicContact CD2-CG1 4.26Å; F179-V189 HydrophobicContact CD2-CG2 4.04Å; F179-V189 HydrophobicContact CE1-CG2 3.96Å; F179-V189 HydrophobicContact CE2-CG2 4.37Å; F179-V189 HydrophobicContact CG-CG2 3.64Å; F179-V189 HydrophobicContact CZ-CG2 4.32Å; V187-V189 HydrophobicContact CG1-CG2 4.33Å; V189-F191 HydrophobicContact CB-CE2 4.5Å; V189-F191 HydrophobicContact CG1-CD2 4.43Å; V189-F191 HydrophobicContact CG1-CE1 4.05Å; V189-F191 HydrophobicContact CG1-CE2 3.72Å; V189-F191 HydrophobicContact CG1-CZ 3.5Å
190	S	98.4	Very high	95.4	Very high	38 Å²	38	54.3 Å²	54.3	27%	0.266	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.7	171.6	-57.8	0	0	0	0	110.4	H162 F163 F165	H162-S190 PolarHBondContact CE1-OG 2.69Å; H162-S190 PolarHBondContact NE2-OG 3.07Å; F163-S190 PolarHBondContact O-N 3.34Å; F165-S190 PolarHBondContact N-O 3.1Å
191	F	98.4	Very high	95.5	Very high	66 Å²	66	46.3 Å²	46.3	29%	0.289	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.9	-179.4	-60.4	-79.9	0	0	0	109.8	F165 T167 L175 V189	F165-F191 HydrophobicContact CB-CD1 3.84Å; F165-F191 HydrophobicContact CB-CE1 4.08Å; F165-F191 HydrophobicContact CD2-CD1 4.35Å; F165-F191 AromaticContact CD2-CE1 3.83Å; F165-F191 HydrophobicContact CD2-CE1 3.83Å; F165-F191 HydrophobicContact CD2-CZ 4.45Å; F165-F191 HydrophobicContact CG-CD1 4.49Å; F165-F191 HydrophobicContact CG-CE1 4.25Å; F165-F191 CarbonylContact O-C 3.52Å; F165-F191 WeakPolarHBondContact O-CA 3.32Å; T167-F191 HydrophobicContact CG2-CD1 3.85Å; T167-F191 HydrophobicContact CG2-CE1 4.43Å; L175-F191 HydrophobicContact CB-CE1 3.54Å; L175-F191 HydrophobicContact CB-CZ 3.8Å; L175-F191 HydrophobicContact CD1-CE1 4.24Å; V189-F191 HydrophobicContact CB-CE2 4.5Å; V189-F191 HydrophobicContact CG1-CD2 4.43Å; V189-F191 HydrophobicContact CG1-CE1 4.05Å; V189-F191 HydrophobicContact CG1-CE2 3.72Å; V189-F191 HydrophobicContact CG1-CZ 3.5Å
192	Y	98.2	Very high	95.6	Very high	44 Å²	44	49 Å²	49	17%	0.173	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	128.7	179.2	-53.3	-89.7	0	0	0	108.2	H164 F165 I166 T167 A194 A223 L224 P225	H164-Y192 HydrophobicContact CB-CD2 4.5Å; H164-Y192 HydrophobicContact CB-CE2 3.71Å; H164-Y192 AromaticContact ND1-CE2 3.76Å; H164-Y192 AromaticContact ND1-CZ 3.86Å; H164-Y192 PolarHBondContact ND1-OH 2.84Å; F165-Y192 PolarHBondContact O-N 2.99Å; I166-Y192 WeakPolarHBondContact CA-O 3.4Å; T167-Y192 PolarHBondContact N-O 2.9Å; Y192-A194 PolarHBondContact O-N 2.9Å; Y192-A223 WeakPolarHBondContact CD1-O 3.47Å; Y192-A223 WeakPolarHBondContact CE1-O 3.16Å; Y192-L224 HydrophobicContact CD2-CD2 4.26Å; Y192-L224 HydrophobicContact CE2-CD2 3.77Å; Y192-P225 VanDerWaalsContact OH-CD 3.26Å; Y192-P225 WeakPolarHBondContact OH-CD 3.46Å
193	D	97.5	Very high	95.6	Very high	72 Å²	72	53.2 Å²	53.2	39%	0.385	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.9	-174.6	-167.4	-16.4	0	0	0	110.9	E195 E196	D193-E195 PolarHBondContact O-N 3.37Å; D193-E195 WeakPolarHBondContact OD1-CB 3.43Å; D193-E195 PolarHBondContact OD1-N 3.02Å; D193-E196 HydrophobicContact CB-CG 4.12Å; D193-E196 PolarHBondContact O-N 3.43Å
194	A	96.9	Very high	95.9	Very high	3 Å²	3	51.5 Å²	51.5	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-65.2	-25.4	177.4	0	0	0	0	0	112.8	I166 T167 Y192 E196 L197 K198 Y213	I166-A194 HydrophobicContact CG2-CB 3.86Å; T167-A194 WeakPolarHBondContact O-CB 3.24Å; T167-A194 PolarHBondContact O-N 2.85Å; Y192-A194 PolarHBondContact O-N 2.9Å; A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 PolarHBondContact O-N 3.02Å; A194-L197 PolarHBondContact O-N 3.24Å; A194-K198 PolarHBondContact O-N 3.48Å; A194-K198 VanDerWaalsContact O-N 3.15Å; A194-Y213 HydrophobicContact CB-CD1 4.33Å; A194-Y213 HydrophobicContact CB-CE1 3.86Å
195	E	95.6	Very high	96.1	Very high	110 Å²	110	53.9 Å²	53.9	51%	0.514	28%	0.283	S	S	.	.	H	α-helix	trans	-68	-33.3	179.6	-166.7	63.9	-154.9	0	0	111.2	D193 L197 K198	D193-E195 PolarHBondContact O-N 3.37Å; D193-E195 WeakPolarHBondContact OD1-CB 3.43Å; D193-E195 PolarHBondContact OD1-N 3.02Å; E195-L197 PolarHBondContact O-N 3.28Å; E195-K198 VanDerWaalsContact CD-CD 3.46Å; E195-K198 VanDerWaalsContact CD-NZ 3.25Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.5Å; E195-K198 WeakPolarHBondContact OE1-CD 3.45Å; E195-K198 IonicContact OE1-NZ 2.95Å; E195-K198 PolarHBondContact OE1-NZ 2.85Å; E195-K198 VanDerWaalsContact OE2-CD 3.25Å; E195-K198 WeakPolarHBondContact OE2-CD 3.35Å; E195-K198 IonicContact OE2-NZ 2.63Å; E195-K198 PolarHBondContact OE2-NZ 2.76Å
196	E	96.4	Very high	96.4	Very high	150 Å²	150	54 Å²	54	70%	0.701	28%	0.282	S	S	*	.	H	α-helix	trans	-65.3	-25.6	175.2	-66	-177	178.1	0	0	113	D193 A194	D193-E196 HydrophobicContact CB-CG 4.12Å; D193-E196 PolarHBondContact O-N 3.43Å; A194-E196 VanDerWaalsContact C-N 3.32Å; A194-E196 PolarHBondContact O-N 3.02Å
197	L	96.1	Very high	96.5	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-98.4	-9.8	-177.3	-59.1	169.3	0	0	0	112.7	I166 A194 E195 S199 E200 M216 K222 A223	I166-L197 HydrophobicContact CD1-CD1 4.08Å; I166-L197 HydrophobicContact CG1-CD1 4.46Å; I166-L197 HydrophobicContact CG2-CD1 4.07Å; A194-L197 PolarHBondContact O-N 3.24Å; E195-L197 PolarHBondContact O-N 3.28Å; L197-S199 PolarHBondContact O-N 2.99Å; L197-E200 VanDerWaalsContact O-CB 3.28Å; L197-E200 WeakPolarHBondContact O-CB 3.38Å; L197-E200 PolarHBondContact O-N 3.1Å; L197-M216 HydrophobicContact CB-SD 4.09Å; L197-K222 HydrophobicContact CD2-CG 4.49Å; L197-A223 HydrophobicContact CD1-CB 3.54Å; L197-A223 HydrophobicContact CD2-CB 4.07Å; L197-A223 HydrophobicContact CG-CB 4.44Å
198	K	95.8	Very high	96.5	Very high	77 Å²	77	61.1 Å²	61.1	34%	0.335	31%	0.309	S	S	.	.	H	α-helix	trans	-60.6	-42.9	-170.1	-173.3	179.7	179.7	176.6	0	113.4	A194 E195 E200 V201 S202 I212 M216	A194-K198 PolarHBondContact O-N 3.48Å; A194-K198 VanDerWaalsContact O-N 3.15Å; E195-K198 VanDerWaalsContact CD-CD 3.46Å; E195-K198 VanDerWaalsContact CD-NZ 3.25Å; E195-K198 WeakPolarHBondContact O-CB 3.48Å; E195-K198 PolarHBondContact O-N 3.5Å; E195-K198 WeakPolarHBondContact OE1-CD 3.45Å; E195-K198 IonicContact OE1-NZ 2.95Å; E195-K198 PolarHBondContact OE1-NZ 2.85Å; E195-K198 VanDerWaalsContact OE2-CD 3.25Å; E195-K198 WeakPolarHBondContact OE2-CD 3.35Å; E195-K198 IonicContact OE2-NZ 2.63Å; E195-K198 PolarHBondContact OE2-NZ 2.76Å; K198-E200 PolarHBondContact O-N 3.39Å; K198-V201 PolarHBondContact O-N 3.15Å; K198-S202 VanDerWaalsContact O-CB 3.24Å; K198-S202 WeakPolarHBondContact O-CB 3.19Å; K198-S202 PolarHBondContact O-N 3.11Å; K198-S202 PolarHBondContact O-OG 2.91Å; K198-I212 HydrophobicContact CG-CD1 3.6Å; K198-M216 HydrophobicContact CB-CE 4.44Å
199	S	96.6	Very high	96.2	Very high	76 Å²	76	62 Å²	62	53%	0.531	31%	0.309	S	S	.	.	H	α-helix	trans	-60.2	-24.9	178.5	56.7	0	0	0	0	112.7	L197 V201	L197-S199 PolarHBondContact O-N 2.99Å; S199-V201 VanDerWaalsContact C-N 3.28Å; S199-V201 PolarHBondContact O-N 3.39Å
200	E	96.4	Very high	95.7	Very high	22 Å²	22	62.3 Å²	62.3	10%	0.103	31%	0.313	C	S	.	.	H	α-helix	trans	-69.6	-28.1	-179.3	-56.7	-56.3	154.8	0	0	112.7	L197 K198 W203 T219 K222 W309 R310	L197-E200 VanDerWaalsContact O-CB 3.28Å; L197-E200 WeakPolarHBondContact O-CB 3.38Å; L197-E200 PolarHBondContact O-N 3.1Å; K198-E200 PolarHBondContact O-N 3.39Å; E200-W203 PolarHBondContact O-NE1 3.43Å; E200-T219 HydrophobicContact CB-CG2 3.82Å; E200-T219 HydrophobicContact CG-CG2 4.47Å; E200-K222 VanDerWaalsContact CD-NZ 3.35Å; E200-K222 HydrophobicContact CG-CD 4.38Å; E200-K222 IonicContact OE1-NZ 3.14Å; E200-K222 PolarHBondContact OE1-NZ 3.27Å; E200-W309 WeakPolarHBondContact O-CH2 3.47Å; E200-R310 PolarHBondContact O-NH2 2.95Å; E200-R310 IonicContact OE2-CZ 3.89Å; E200-R310 IonicContact OE2-NH1 3.9Å; E200-R310 PolarHBondContact OE2-NH1 3.19Å; E200-R310 IonicContact OE2-NH2 2.8Å; E200-R310 PolarHBondContact OE2-NH2 3.4Å
201	V	97.1	Very high	95.5	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-125.1	-15	-171.9	-64.4	0	0	0	0	114.3	K198 S199 W203 I204 I212 L215 M216 T219 W309	K198-V201 PolarHBondContact O-N 3.15Å; S199-V201 VanDerWaalsContact C-N 3.28Å; S199-V201 PolarHBondContact O-N 3.39Å; V201-W203 PolarHBondContact O-N 3.41Å; V201-W203 VanDerWaalsContact O-N 3.1Å; V201-I204 HydrophobicContact CB-CD1 4.29Å; V201-I204 HydrophobicContact CG1-CD1 4.46Å; V201-I204 WeakPolarHBondContact O-CB 3.29Å; V201-I204 WeakPolarHBondContact O-CG1 3.36Å; V201-I204 PolarHBondContact O-N 3.01Å; V201-I212 HydrophobicContact CG2-CD1 4.29Å; V201-I212 HydrophobicContact CG2-CG1 3.87Å; V201-L215 HydrophobicContact CB-CB 3.86Å; V201-L215 HydrophobicContact CB-CD1 4.3Å; V201-L215 HydrophobicContact CG1-CB 4.11Å; V201-L215 HydrophobicContact CG2-CB 4.11Å; V201-M216 HydrophobicContact CG2-CE 3.79Å; V201-M216 HydrophobicContact CG2-SD 3.8Å; V201-T219 HydrophobicContact CG1-CG2 3.65Å; V201-W309 HydrophobicContact CG1-CH2 4.06Å
202	S	96.6	Very high	95.3	Very high	72 Å²	72	61.2 Å²	61.2	50%	0.503	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.8	-174.9	60.3	0	0	0	0	114.7	K198 I204	K198-S202 VanDerWaalsContact O-CB 3.24Å; K198-S202 WeakPolarHBondContact O-CB 3.19Å; K198-S202 PolarHBondContact O-N 3.11Å; K198-S202 PolarHBondContact O-OG 2.91Å; S202-I204 VanDerWaalsContact C-N 3.25Å; S202-I204 PolarHBondContact O-N 3.08Å
203	W	97.3	Very high	95.1	Very high	88 Å²	88	62.8 Å²	62.8	33%	0.333	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-13	177	63.5	-89.7	0	0	0	113.1	E200 V201 P205 W309 R310 A313 E314 L317	E200-W203 PolarHBondContact O-NE1 3.43Å; V201-W203 PolarHBondContact O-N 3.41Å; V201-W203 VanDerWaalsContact O-N 3.1Å; W203-P205 VanDerWaalsContact O-CD 3.29Å; W203-P205 WeakPolarHBondContact O-CD 3.23Å; W203-W309 HydrophobicContact CZ2-CH2 4.4Å; W203-W309 AromaticContact CZ2-CZ3 3.93Å; W203-W309 HydrophobicContact CZ2-CZ3 3.93Å; W203-R310 HydrophobicContact CZ2-CG 4.14Å; W203-A313 HydrophobicContact CH2-CB 3.81Å; W203-E314 HydrophobicContact CH2-CG 3.73Å; W203-E314 HydrophobicContact CZ3-CG 3.84Å; W203-L317 HydrophobicContact CE3-CD1 4.46Å; W203-L317 HydrophobicContact CH2-CD1 4.49Å; W203-L317 HydrophobicContact CZ3-CD1 3.75Å
204	I	97.8	Very high	94.9	Very high	7 Å²	7	59.8 Å²	59.8	4%	0.036	31%	0.306	C	S	.	.	S	Bend	trans	-85.3	113.6	-178.6	-55.9	169.2	0	0	0	109.1	V201 S202 N206 L215 L218 W309 L317 T323 I330	V201-I204 HydrophobicContact CB-CD1 4.29Å; V201-I204 HydrophobicContact CG1-CD1 4.46Å; V201-I204 WeakPolarHBondContact O-CB 3.29Å; V201-I204 WeakPolarHBondContact O-CG1 3.36Å; V201-I204 PolarHBondContact O-N 3.01Å; S202-I204 VanDerWaalsContact C-N 3.25Å; S202-I204 PolarHBondContact O-N 3.08Å; I204-N206 PolarHBondContact O-N 3.34Å; I204-L215 HydrophobicContact CB-CD1 3.95Å; I204-L215 HydrophobicContact CD1-CD1 4.38Å; I204-L215 HydrophobicContact CD1-CD2 4.42Å; I204-L215 HydrophobicContact CG2-CD1 4.15Å; I204-L215 HydrophobicContact CG2-CD2 4.24Å; I204-L218 HydrophobicContact CD1-CD1 4.47Å; I204-W309 HydrophobicContact CD1-CH2 4.33Å; I204-W309 HydrophobicContact CD1-CZ3 3.73Å; I204-L317 HydrophobicContact CG2-CD1 4.3Å; I204-T323 HydrophobicContact CG2-CG2 3.92Å; I204-I330 HydrophobicContact CD1-CD1 3.91Å; I204-I330 HydrophobicContact CG2-CD1 4.25Å
205	P	96.9	Very high	95	Very high	65 Å²	65	59.8 Å²	59.8	42%	0.422	31%	0.305	S	S	.	.			trans	-64.8	126.4	175.1	-18.8	32.8	0	0	0	110.4	W203 S322 T323	W203-P205 VanDerWaalsContact O-CD 3.29Å; W203-P205 WeakPolarHBondContact O-CD 3.23Å; P205-S322 CarbonylContact O-C 3.47Å; P205-S322 WeakPolarHBondContact O-CA 3.48Å; P205-S322 WeakPolarHBondContact O-CB 3.46Å; P205-T323 PolarHBondContact O-N 2.91Å; P205-T323 PolarHBondContact O-OG1 3.19Å
206	N	95.3	Very high	95	Very high	41 Å²	41	54.6 Å²	54.6	22%	0.219	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-135.5	135.2	-173.1	-177.8	29	0	0	0	112.1	I204 H208 G211 L215 T323	I204-N206 PolarHBondContact O-N 3.34Å; N206-H208 VanDerWaalsContact OD1-CB 3.27Å; N206-H208 WeakPolarHBondContact OD1-CB 3.45Å; N206-H208 PolarHBondContact OD1-N 3.09Å; N206-G211 PolarHBondContact ND2-O 2.74Å; N206-L215 HydrophobicContact CB-CD1 4.13Å; N206-T323 WeakPolarHBondContact CA-OG1 3.37Å; N206-T323 WeakPolarHBondContact CB-OG1 3.44Å; N206-T323 VanDerWaalsContact CG-OG1 3.3Å; N206-T323 PolarHBondContact OD1-O 3.05Å; N206-T323 PolarHBondContact OD1-OG1 3.46Å
207	K	93.4	Very high	95.1	Very high	156 Å²	156	47.9 Å²	47.9	68%	0.678	25%	0.249	S	C	*	.			trans	-104.6	-2.1	177.1	-66.8	173.9	178.6	159.3	0	113.7	S322 T323	K207-S322 WeakPolarHBondContact CD-OG 3.31Å; K207-S322 WeakPolarHBondContact CE-OG 3.15Å; K207-S322 PolarHBondContact NZ-OG 2.9Å; K207-S322 VanDerWaalsContact NZ-OG 3.1Å; K207-T323 PolarHBondContact N-O 3.16Å
208	H	92.6	Very high	95.2	Very high	38 Å²	38	47.4 Å²	47.4	18%	0.176	25%	0.247	C	C	.	.			trans	-66.3	144.4	-177.4	-168.3	-101.8	0	0	0	112	N206 S210 G211 A326	N206-H208 VanDerWaalsContact OD1-CB 3.27Å; N206-H208 WeakPolarHBondContact OD1-CB 3.45Å; N206-H208 PolarHBondContact OD1-N 3.09Å; H208-S210 PolarHBondContact CE1-OG 3.26Å; H208-S210 WeakPolarHBondContact ND1-CB 3.24Å; H208-S210 PolarHBondContact ND1-N 3.46Å; H208-S210 PolarHBondContact ND1-OG 3.33Å; H208-S210 PolarHBondContact O-N 3.25Å; H208-G211 PolarHBondContact O-N 3.03Å; H208-A326 HydrophobicContact CB-CB 3.81Å
209	Y	88.6	Confident	95.3	Very high	128 Å²	128	43.9 Å²	43.9	50%	0.502	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-26.9	-175.4	67.2	-91.8	0	0	0	113.6	G211 P377 K379	Y209-G211 PolarHBondContact O-N 3.44Å; Y209-P377 HydrophobicContact CD1-CG 4.08Å; Y209-P377 HydrophobicContact CE1-CG 4.04Å; Y209-K379 PolarHBondContact OH-NZ 2.98Å
210	S	88.4	Confident	95.3	Very high	46 Å²	46	40.4 Å²	40.4	32%	0.322	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	0.3	174	-46.8	0	0	0	0	113.6	H208 Y213	H208-S210 PolarHBondContact CE1-OG 3.26Å; H208-S210 WeakPolarHBondContact ND1-CB 3.24Å; H208-S210 PolarHBondContact ND1-N 3.46Å; H208-S210 PolarHBondContact ND1-OG 3.33Å; H208-S210 PolarHBondContact O-N 3.25Å; S210-Y213 PolarHBondContact O-N 2.83Å
211	G	93.2	Very high	95.4	Very high	30 Å²	30	40 Å²	40	31%	0.309	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	56.1	-140.7	179.1	0	0	0	0	0	112.6	N206 H208 Y209 Y213 G214	N206-G211 PolarHBondContact ND2-O 2.74Å; H208-G211 PolarHBondContact O-N 3.03Å; Y209-G211 PolarHBondContact O-N 3.44Å; G211-Y213 VanDerWaalsContact C-N 3.27Å; G211-Y213 PolarHBondContact O-N 3.21Å; G211-G214 PolarHBondContact O-N 2.83Å
212	I	94.3	Very high	95.3	Very high	50 Å²	50	45 Å²	45	26%	0.256	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-62.7	-30.8	-177.4	-165	161.8	0	0	0	113.4	K198 V201 G214 L215 M216	K198-I212 HydrophobicContact CG-CD1 3.6Å; V201-I212 HydrophobicContact CG2-CD1 4.29Å; V201-I212 HydrophobicContact CG2-CG1 3.87Å; I212-G214 PolarHBondContact O-N 3.23Å; I212-L215 WeakPolarHBondContact O-CB 3.2Å; I212-L215 PolarHBondContact O-N 3.05Å; I212-M216 HydrophobicContact CD1-CE 4.37Å; I212-M216 HydrophobicContact CG1-CE 3.86Å; I212-M216 HydrophobicContact CG2-CE 4.43Å
213	Y	94.6	Very high	95.4	Very high	77 Å²	77	42.3 Å²	42.3	30%	0.302	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-64.5	-28	179.6	-59.9	-67.3	0	0	0	112.5	A138 A194 S210 G211 L215 M216	A138-Y213 HydrophobicContact CB-CD1 3.5Å; A138-Y213 HydrophobicContact CB-CD2 3.64Å; A138-Y213 HydrophobicContact CB-CE1 3.41Å; A138-Y213 VanDerWaalsContact CB-CE1 3.41Å; A138-Y213 HydrophobicContact CB-CE2 3.53Å; A138-Y213 HydrophobicContact CB-CG 3.62Å; A138-Y213 VanDerWaalsContact CB-CZ 3.41Å; A194-Y213 HydrophobicContact CB-CD1 4.33Å; A194-Y213 HydrophobicContact CB-CE1 3.86Å; S210-Y213 PolarHBondContact O-N 2.83Å; G211-Y213 VanDerWaalsContact C-N 3.27Å; G211-Y213 PolarHBondContact O-N 3.21Å; Y213-L215 PolarHBondContact O-N 3.43Å; Y213-L215 VanDerWaalsContact O-N 3.15Å; Y213-M216 HydrophobicContact CD1-CG 4.41Å; Y213-M216 PolarHBondContact O-N 3.07Å; Y213-M216 VanDerWaalsContact O-N 3.17Å
214	G	94.1	Very high	95.4	Very high	10 Å²	10	38.3 Å²	38.3	10%	0.103	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-61.8	-18.2	172.4	0	0	0	0	0	113.9	G211 I212 A326 D327	G211-G214 PolarHBondContact O-N 2.83Å; I212-G214 PolarHBondContact O-N 3.23Å; G214-A326 WeakPolarHBondContact O-CB 3.12Å; G214-D327 VanDerWaalsContact O-CB 3.28Å; G214-D327 WeakPolarHBondContact O-CB 3.49Å; G214-D327 VanDerWaalsContact O-CG 3.29Å; G214-D327 PolarHBondContact O-N 3.49Å
215	L	97.4	Very high	95.4	Very high	2 Å²	2	39.9 Å²	39.9	1%	0.01	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-94.9	-13.8	178.8	-63.6	166.1	0	0	0	113.1	V201 I204 N206 I212 Y213 K217 L218 A326 I330	V201-L215 HydrophobicContact CB-CB 3.86Å; V201-L215 HydrophobicContact CB-CD1 4.3Å; V201-L215 HydrophobicContact CG1-CB 4.11Å; V201-L215 HydrophobicContact CG2-CB 4.11Å; I204-L215 HydrophobicContact CB-CD1 3.95Å; I204-L215 HydrophobicContact CD1-CD1 4.38Å; I204-L215 HydrophobicContact CD1-CD2 4.42Å; I204-L215 HydrophobicContact CG2-CD1 4.15Å; I204-L215 HydrophobicContact CG2-CD2 4.24Å; N206-L215 HydrophobicContact CB-CD1 4.13Å; I212-L215 WeakPolarHBondContact O-CB 3.2Å; I212-L215 PolarHBondContact O-N 3.05Å; Y213-L215 PolarHBondContact O-N 3.43Å; Y213-L215 VanDerWaalsContact O-N 3.15Å; L215-K217 PolarHBondContact O-N 3.12Å; L215-K217 VanDerWaalsContact O-N 3.13Å; L215-L218 HydrophobicContact CD2-CD1 4.35Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 WeakPolarHBondContact O-CG 3.35Å; L215-L218 PolarHBondContact O-N 3.11Å; L215-A326 HydrophobicContact CD2-CB 4.09Å; L215-A326 HydrophobicContact CG-CB 4.35Å; L215-I330 HydrophobicContact CD2-CD1 4.29Å
216	M	97.1	Very high	95.4	Very high	1 Å²	1	42.2 Å²	42.2	1%	0.005	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-67.3	-17.7	-170.2	-65	-64.4	176.6	0	0	113.9	V136 L197 K198 V201 I212 Y213 L218 T219	V136-M216 HydrophobicContact CG1-CB 3.97Å; V136-M216 HydrophobicContact CG1-CG 4.42Å; V136-M216 HydrophobicContact CG2-CB 3.98Å; L197-M216 HydrophobicContact CB-SD 4.09Å; K198-M216 HydrophobicContact CB-CE 4.44Å; V201-M216 HydrophobicContact CG2-CE 3.79Å; V201-M216 HydrophobicContact CG2-SD 3.8Å; I212-M216 HydrophobicContact CD1-CE 4.37Å; I212-M216 HydrophobicContact CG1-CE 3.86Å; I212-M216 HydrophobicContact CG2-CE 4.43Å; Y213-M216 HydrophobicContact CD1-CG 4.41Å; Y213-M216 PolarHBondContact O-N 3.07Å; Y213-M216 VanDerWaalsContact O-N 3.17Å; M216-L218 PolarHBondContact O-N 3.49Å; M216-T219 PolarHBondContact O-N 3.44Å; M216-T219 VanDerWaalsContact O-N 3.1Å; M216-T219 PolarHBondContact O-OG1 3.32Å
217	K	97.6	Very high	95.4	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.039	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-61	-26	173	-68.5	167.7	176.8	177.8	0	112.3	V136 L215 T219 L220 V233 D235 T290 I293 D327 F331	V136-K217 HydrophobicContact CG2-CG 3.97Å; L215-K217 PolarHBondContact O-N 3.12Å; L215-K217 VanDerWaalsContact O-N 3.13Å; K217-T219 PolarHBondContact O-N 2.95Å; K217-L220 HydrophobicContact CB-CD1 4.34Å; K217-L220 WeakPolarHBondContact O-CD1 3.3Å; K217-L220 WeakPolarHBondContact O-CG 3.38Å; K217-V233 HydrophobicContact CG-CG1 4.23Å; K217-D235 WeakPolarHBondContact CE-OD1 3.48Å; K217-D235 IonicContact NZ-OD1 2.87Å; K217-D235 PolarHBondContact NZ-OD1 3.25Å; K217-D235 IonicContact NZ-OD2 2.66Å; K217-D235 PolarHBondContact NZ-OD2 3.46Å; K217-D235 VanDerWaalsContact NZ-OD2 3.09Å; K217-T290 PolarHBondContact NZ-O 3.37Å; K217-I293 HydrophobicContact CD-CD1 4.39Å; K217-D327 HydrophobicContact CB-CB 4.35Å; K217-D327 WeakPolarHBondContact CD-OD2 3.34Å; K217-D327 IonicContact NZ-OD2 2.81Å; K217-F331 HydrophobicContact CB-CE2 4.5Å
218	L	98.1	Very high	95.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-66.9	-24.7	176.8	-63.2	170	0	0	0	112.9	I204 L215 M216 W305 W309 D327 I330 F331	I204-L218 HydrophobicContact CD1-CD1 4.47Å; L215-L218 HydrophobicContact CD2-CD1 4.35Å; L215-L218 WeakPolarHBondContact O-CB 3.43Å; L215-L218 WeakPolarHBondContact O-CG 3.35Å; L215-L218 PolarHBondContact O-N 3.11Å; M216-L218 PolarHBondContact O-N 3.49Å; L218-W305 HydrophobicContact CD2-CZ2 4.09Å; L218-W305 PolarHBondContact O-NE1 3.47Å; L218-W309 HydrophobicContact CB-CD2 4.11Å; L218-W309 HydrophobicContact CB-CE3 4.48Å; L218-W309 HydrophobicContact CB-CZ2 4.16Å; L218-W309 HydrophobicContact CD1-CD2 4.33Å; L218-W309 HydrophobicContact CD1-CE3 3.93Å; L218-W309 HydrophobicContact CD1-CZ3 4.08Å; L218-W309 HydrophobicContact CD2-CB 4.49Å; L218-W309 HydrophobicContact CD2-CD2 4.36Å; L218-W309 HydrophobicContact CD2-CG 4.3Å; L218-W309 PolarHBondContact O-NE1 3.3Å; L218-D327 HydrophobicContact CD1-CB 4.47Å; L218-D327 HydrophobicContact CD2-CB 4.39Å; L218-D327 HydrophobicContact CG-CB 4.06Å; L218-I330 HydrophobicContact CD1-CB 4.34Å; L218-I330 HydrophobicContact CD1-CD1 3.66Å; L218-I330 HydrophobicContact CD1-CG2 4.29Å; L218-I330 HydrophobicContact CD2-CB 4.29Å; L218-I330 HydrophobicContact CD2-CG2 3.95Å; L218-F331 HydrophobicContact CD2-CD2 3.95Å; L218-F331 HydrophobicContact CD2-CE2 3.75Å; L218-F331 HydrophobicContact CD2-CZ 4.37Å
219	T	97.6	Very high	95.9	Very high	4 Å²	4	39.9 Å²	39.9	3%	0.025	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-96.1	2	-173.8	68.2	0	0	0	0	113.3	E200 V201 M216 K217 T221 K222 A223	E200-T219 HydrophobicContact CB-CG2 3.82Å; E200-T219 HydrophobicContact CG-CG2 4.47Å; V201-T219 HydrophobicContact CG1-CG2 3.65Å; M216-T219 PolarHBondContact O-N 3.44Å; M216-T219 VanDerWaalsContact O-N 3.1Å; M216-T219 PolarHBondContact O-OG1 3.32Å; K217-T219 PolarHBondContact O-N 2.95Å; T219-T221 VanDerWaalsContact C-N 3.26Å; T219-T221 PolarHBondContact O-N 3.33Å; T219-T221 VanDerWaalsContact O-N 3.15Å; T219-K222 WeakPolarHBondContact O-CA 3.32Å; T219-K222 WeakPolarHBondContact O-CB 3.42Å; T219-K222 PolarHBondContact O-N 2.85Å; T219-A223 PolarHBondContact O-N 3.28Å
220	L	97.9	Very high	96.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-58.2	-31.8	-175.2	-75.8	168.7	0	0	0	114	A134 I166 K217 K222 A223 L224 V233 L295	A134-L220 HydrophobicContact CB-CD2 4.11Å; I166-L220 HydrophobicContact CD1-CD2 3.46Å; I166-L220 VanDerWaalsContact CD1-CD2 3.46Å; I166-L220 HydrophobicContact CD1-CG 4.23Å; I166-L220 HydrophobicContact CG1-CD2 4.29Å; K217-L220 HydrophobicContact CB-CD1 4.34Å; K217-L220 WeakPolarHBondContact O-CD1 3.3Å; K217-L220 WeakPolarHBondContact O-CG 3.38Å; L220-K222 PolarHBondContact O-N 3.46Å; L220-A223 PolarHBondContact O-N 2.97Å; L220-L224 HydrophobicContact CB-CD1 4.3Å; L220-L224 HydrophobicContact CD2-CD1 3.98Å; L220-L224 HydrophobicContact CD2-CG 4.13Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 WeakPolarHBondContact O-CG 3.31Å; L220-L224 PolarHBondContact O-N 2.79Å; L220-V233 HydrophobicContact CD1-CB 4.33Å; L220-V233 HydrophobicContact CD1-CG1 3.77Å; L220-V233 HydrophobicContact CD1-CG2 3.54Å; L220-L295 HydrophobicContact CB-CD1 4.3Å; L220-L295 HydrophobicContact CD1-CD1 3.8Å
221	T	97.2	Very high	96.9	Very high	15 Å²	15	33.3 Å²	33.3	9%	0.092	19%	0.191	C	C	.	.	H	α-helix	trans	-64.8	-27.3	176.4	51.9	0	0	0	0	113.2	T219 L297 L300 R301 W305	T219-T221 VanDerWaalsContact C-N 3.26Å; T219-T221 PolarHBondContact O-N 3.33Å; T219-T221 VanDerWaalsContact O-N 3.15Å; T221-L297 HydrophobicContact CG2-CD2 4.05Å; T221-L300 HydrophobicContact CG2-CB 3.8Å; T221-L300 HydrophobicContact CG2-CD1 4.3Å; T221-R301 PolarHBondContact O-NE 3.2Å; T221-R301 PolarHBondContact O-NH2 3.19Å; T221-W305 HydrophobicContact CG2-CB 4.27Å; T221-W305 HydrophobicContact CG2-CG 4.17Å
222	K	96.1	Very high	97.2	Very high	103 Å²	103	31.9 Å²	31.9	45%	0.448	18%	0.176	S	C	.	.	H	α-helix	trans	-90.6	-39.9	177.7	-179.5	174.4	-178.4	167.9	0	111.8	L197 E200 T219 L220	L197-K222 HydrophobicContact CD2-CG 4.49Å; E200-K222 VanDerWaalsContact CD-NZ 3.35Å; E200-K222 HydrophobicContact CG-CD 4.38Å; E200-K222 IonicContact OE1-NZ 3.14Å; E200-K222 PolarHBondContact OE1-NZ 3.27Å; T219-K222 WeakPolarHBondContact O-CA 3.32Å; T219-K222 WeakPolarHBondContact O-CB 3.42Å; T219-K222 PolarHBondContact O-N 2.85Å; L220-K222 PolarHBondContact O-N 3.46Å
223	A	97.4	Very high	97.4	Very high	16 Å²	16	29.6 Å²	29.6	13%	0.132	16%	0.164	C	C	.	.	H	α-helix	trans	-70.3	-41.9	-177.7	0	0	0	0	0	113.3	I166 Y192 L197 T219 L220	I166-A223 HydrophobicContact CD1-CB 4.02Å; I166-A223 HydrophobicContact CG1-CB 4.45Å; Y192-A223 WeakPolarHBondContact CD1-O 3.47Å; Y192-A223 WeakPolarHBondContact CE1-O 3.16Å; L197-A223 HydrophobicContact CD1-CB 3.54Å; L197-A223 HydrophobicContact CD2-CB 4.07Å; L197-A223 HydrophobicContact CG-CB 4.44Å; T219-A223 PolarHBondContact O-N 3.28Å; L220-A223 PolarHBondContact O-N 2.97Å
224	L	98.3	Very high	97.6	Very high	5 Å²	5	26 Å²	26	3%	0.026	15%	0.15	C	C	.	.	S	Bend	trans	-84.4	156	-173.6	-61.7	178.5	0	0	0	112.4	A134 H164 Y192 L220 L228 V231 L297 R301	A134-L224 HydrophobicContact CB-CD1 4.24Å; H164-L224 HydrophobicContact CB-CD2 3.6Å; Y192-L224 HydrophobicContact CD2-CD2 4.26Å; Y192-L224 HydrophobicContact CE2-CD2 3.77Å; L220-L224 HydrophobicContact CB-CD1 4.3Å; L220-L224 HydrophobicContact CD2-CD1 3.98Å; L220-L224 HydrophobicContact CD2-CG 4.13Å; L220-L224 WeakPolarHBondContact O-CB 3.44Å; L220-L224 WeakPolarHBondContact O-CG 3.31Å; L220-L224 PolarHBondContact O-N 2.79Å; L224-L228 HydrophobicContact CB-CD2 4.23Å; L224-L228 HydrophobicContact CD1-CD2 4.15Å; L224-V231 HydrophobicContact CD1-CB 4.42Å; L224-V231 HydrophobicContact CD1-CG1 3.97Å; L224-V231 HydrophobicContact CD1-CG2 4.31Å; L224-L297 HydrophobicContact CB-CD1 4.26Å; L224-L297 HydrophobicContact CD1-CD1 3.76Å; L224-R301 PolarHBondContact O-NH2 3.36Å; L224-R301 VanDerWaalsContact O-NH2 3.13Å
225	P	97.9	Very high	97.7	Very high	39 Å²	39	27.4 Å²	27.4	25%	0.253	16%	0.156	S	C	.	.			trans	-52.4	139	-175.1	-28.1	35.9	0	0	0	112.9	Y192 D227 L228 R301	Y192-P225 VanDerWaalsContact OH-CD 3.26Å; Y192-P225 WeakPolarHBondContact OH-CD 3.46Å; P225-D227 WeakPolarHBondContact CB-OD1 3.35Å; P225-D227 PolarHBondContact O-N 3.45Å; P225-L228 HydrophobicContact CB-CB 4.32Å; P225-L228 WeakPolarHBondContact O-CB 3.19Å; P225-L228 PolarHBondContact O-N 3.26Å; P225-R301 PolarHBondContact O-NH1 3.12Å; P225-R301 PolarHBondContact O-NH2 2.92Å
226	P	96.3	Very high	97.6	Very high	114 Å²	114	28.6 Å²	28.6	74%	0.74	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-25.1	-172.7	25.6	-34.6	0	0	0	113.7	R301	P226-R301 VanDerWaalsContact C-NH1 3.35Å; P226-R301 PolarHBondContact O-NH1 3.31Å
227	D	96.6	Very high	97.5	Very high	138 Å²	138	29.4 Å²	29.4	74%	0.738	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-13.4	177.1	61.7	-36.8	0	0	0	113.5	P225 A229	P225-D227 WeakPolarHBondContact CB-OD1 3.35Å; P225-D227 PolarHBondContact O-N 3.45Å; D227-A229 PolarHBondContact O-N 3.17Å
228	L	98.1	Very high	97.5	Very high	15 Å²	15	29 Å²	29	8%	0.079	17%	0.165	C	C	.	.			trans	-69.4	115.4	176.1	-177.5	62.5	0	0	0	110.7	H132 L224 P225 V231 L297 R301	H132-L228 HydrophobicContact CB-CD1 4.05Å; H132-L228 HydrophobicContact CB-CD2 4.47Å; H132-L228 VanDerWaalsContact CG-CD1 3.44Å; L224-L228 HydrophobicContact CB-CD2 4.23Å; L224-L228 HydrophobicContact CD1-CD2 4.15Å; P225-L228 HydrophobicContact CB-CB 4.32Å; P225-L228 WeakPolarHBondContact O-CB 3.19Å; P225-L228 PolarHBondContact O-N 3.26Å; L228-V231 HydrophobicContact CD2-CB 4.37Å; L228-L297 HydrophobicContact CB-CD1 4.3Å; L228-L297 HydrophobicContact CD2-CD1 3.76Å; L228-L297 HydrophobicContact CG-CD1 3.87Å; L228-L297 WeakPolarHBondContact O-CB 3.2Å; L228-R301 PolarHBondContact O-NH1 2.72Å
229	A	97.9	Very high	97.4	Very high	34 Å²	34	29 Å²	29	28%	0.281	17%	0.166	S	C	.	.			trans	-82.3	-37.6	-172.2	0	0	0	0	0	114.6	D227 Y296 L297 E298	D227-A229 PolarHBondContact O-N 3.17Å; A229-Y296 CarbonylContact O-C 3.39Å; A229-Y296 WeakPolarHBondContact O-CD1 3.18Å; A229-L297 PolarHBondContact O-N 3.35Å; A229-E298 HydrophobicContact CB-CB 4.32Å; A229-E298 PolarHBondContact O-N 3.16Å
230	K	98.2	Very high	97.4	Very high	36 Å²	36	28.9 Å²	28.9	16%	0.157	17%	0.165	C	C	.	.			trans	-149.8	152.5	-176.1	52.5	169	174.9	162.3	0	111.5	E129 W248 F251 L295	E129-K230 IonicContact OE1-NZ 3.09Å; E129-K230 PolarHBondContact OE1-NZ 3.09Å; K230-W248 HydrophobicContact CD-CH2 4.06Å; K230-W248 HydrophobicContact CD-CZ2 3.8Å; K230-W248 HydrophobicContact CG-CH2 3.75Å; K230-W248 HydrophobicContact CG-CZ2 3.88Å; K230-W248 HydrophobicContact CG-CZ3 4.48Å; K230-W248 VanDerWaalsContact NZ-NE1 3.12Å; K230-W248 WeakPolarHBondContact O-CH2 3.47Å; K230-F251 HydrophobicContact CB-CD1 4.13Å; K230-F251 HydrophobicContact CB-CD2 4.42Å; K230-F251 HydrophobicContact CB-CE1 3.79Å; K230-F251 HydrophobicContact CB-CE2 4.09Å; K230-F251 HydrophobicContact CB-CG 4.43Å; K230-F251 HydrophobicContact CB-CZ 3.76Å; K230-F251 HydrophobicContact CD-CB 3.93Å; K230-F251 HydrophobicContact CD-CD1 4.12Å; K230-F251 HydrophobicContact CD-CD2 3.64Å; K230-F251 HydrophobicContact CD-CE2 4.1Å; K230-F251 HydrophobicContact CD-CG 3.64Å; K230-F251 HydrophobicContact CG-CD2 4.49Å; K230-F251 HydrophobicContact CG-CE2 4.48Å; K230-L295 CarbonylContact C-O 3.26Å; K230-L295 VanDerWaalsContact CA-O 3.23Å; K230-L295 WeakPolarHBondContact CA-O 3.27Å
231	V	98.8	Very high	97.3	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	145.9	-178.3	69.1	0	0	0	0	111.5	H132 A134 L224 L228 V233 F251 L295 L297	H132-V231 HydrophobicContact CB-CB 4.48Å; H132-V231 HydrophobicContact CB-CG2 4.07Å; H132-V231 WeakPolarHBondContact O-CG2 3.33Å; A134-V231 HydrophobicContact CB-CG2 3.66Å; L224-V231 HydrophobicContact CD1-CB 4.42Å; L224-V231 HydrophobicContact CD1-CG1 3.97Å; L224-V231 HydrophobicContact CD1-CG2 4.31Å; L228-V231 HydrophobicContact CD2-CB 4.37Å; V231-V233 HydrophobicContact CG1-CG2 4.19Å; V231-F251 WeakPolarHBondContact O-CZ 3.4Å; V231-L295 HydrophobicContact CG1-CB 3.92Å; V231-L295 HydrophobicContact CG1-CD1 4.46Å; V231-L295 PolarHBondContact N-O 2.04Å; V231-L295 PolarHBondContact O-N 2.92Å; V231-L297 HydrophobicContact CB-CD1 4.15Å; V231-L297 HydrophobicContact CG1-CD1 3.74Å; V231-L297 HydrophobicContact CG1-CD2 4.03Å; V231-L297 HydrophobicContact CG1-CG 3.87Å
232	I	98.9	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125	166.7	-60.3	169	0	0	0	107.8	I131 H132 V133 A134 L234 I244 L247 W248 F251 I293 L294	I131-I232 HydrophobicContact CG2-CD1 4.21Å; H132-I232 PolarHBondContact O-N 2.94Å; V133-I232 CarbonylContact C-O 3.54Å; V133-I232 VanDerWaalsContact CA-O 3.28Å; V133-I232 WeakPolarHBondContact CA-O 3.3Å; A134-I232 PolarHBondContact N-O 3.25Å; I232-L234 HydrophobicContact CG2-CD1 4.42Å; I232-L234 HydrophobicContact CG2-CD2 3.76Å; I232-L234 HydrophobicContact CG2-CG 3.91Å; I232-I244 HydrophobicContact CD1-CD1 4.04Å; I232-I244 HydrophobicContact CD1-CG1 3.71Å; I232-L247 HydrophobicContact CD1-CB 4.38Å; I232-L247 HydrophobicContact CD1-CD2 4.25Å; I232-L247 HydrophobicContact CD1-CG 4.11Å; I232-L247 HydrophobicContact CG2-CD2 3.96Å; I232-W248 HydrophobicContact CD1-CB 4.13Å; I232-W248 HydrophobicContact CD1-CE3 3.76Å; I232-W248 HydrophobicContact CG1-CE3 3.75Å; I232-W248 HydrophobicContact CG1-CZ3 4.22Å; I232-F251 HydrophobicContact CG1-CE2 4.4Å; I232-I293 CarbonylContact C-O 3.56Å; I232-I293 WeakPolarHBondContact CA-O 3.34Å; I232-L294 HydrophobicContact CB-CD2 4.36Å; I232-L294 HydrophobicContact CD1-CD2 4.47Å; I232-L294 HydrophobicContact CG1-CD2 3.63Å; I232-L294 HydrophobicContact CG2-CD2 4.35Å
233	V	98.8	Very high	97.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	130.7	174.8	-168.6	0	0	0	0	109.2	A134 K217 L220 V231 V292 I293 L295	A134-V233 HydrophobicContact CB-CG2 4.44Å; A134-V233 VanDerWaalsContact O-CA 3.3Å; A134-V233 WeakPolarHBondContact O-CA 3.28Å; K217-V233 HydrophobicContact CG-CG1 4.23Å; L220-V233 HydrophobicContact CD1-CB 4.33Å; L220-V233 HydrophobicContact CD1-CG1 3.77Å; L220-V233 HydrophobicContact CD1-CG2 3.54Å; V231-V233 HydrophobicContact CG1-CG2 4.19Å; V233-V292 WeakPolarHBondContact O-CA 3.41Å; V233-I293 HydrophobicContact CB-CB 3.94Å; V233-I293 HydrophobicContact CB-CD1 4.33Å; V233-I293 HydrophobicContact CB-CG1 4.16Å; V233-I293 HydrophobicContact CG1-CD1 4.45Å; V233-I293 HydrophobicContact CG2-CB 4.25Å; V233-I293 PolarHBondContact N-O 3.11Å; V233-I293 PolarHBondContact O-N 2.76Å; V233-L295 HydrophobicContact CG2-CD1 3.49Å; V233-L295 VanDerWaalsContact CG2-CD1 3.49Å; V233-L295 HydrophobicContact CG2-CG 3.81Å
234	L	98.6	Very high	97	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	137.2	-177.4	-59.2	173.6	0	0	0	111.5	V133 A134 C135 L149 I232 I238 F240 I244 G291 V292	V133-L234 HydrophobicContact CG1-CD1 3.56Å; V133-L234 HydrophobicContact CG1-CG 4.12Å; A134-L234 PolarHBondContact O-N 2.86Å; C135-L234 PolarHBondContact SG-O 2.76Å; L149-L234 HydrophobicContact CD1-CD1 4.18Å; L149-L234 HydrophobicContact CD2-CB 4.1Å; L149-L234 HydrophobicContact CD2-CD1 4.44Å; I232-L234 HydrophobicContact CG2-CD1 4.42Å; I232-L234 HydrophobicContact CG2-CD2 3.76Å; I232-L234 HydrophobicContact CG2-CG 3.91Å; L234-I238 HydrophobicContact CB-CD1 4.44Å; L234-I238 HydrophobicContact CD2-CD1 4.27Å; L234-F240 HydrophobicContact CD1-CE2 3.65Å; L234-F240 HydrophobicContact CD1-CZ 3.96Å; L234-F240 HydrophobicContact CD2-CE2 3.99Å; L234-F240 HydrophobicContact CD2-CZ 3.99Å; L234-F240 HydrophobicContact CG-CE2 4.49Å; L234-I244 HydrophobicContact CD1-CD1 4.25Å; L234-G291 CarbonylContact C-O 3.51Å; L234-G291 WeakPolarHBondContact CA-O 3.21Å; L234-V292 HydrophobicContact CD2-CB 4.45Å; L234-V292 HydrophobicContact CD2-CG1 4.16Å; L234-V292 HydrophobicContact CD2-CG2 4.03Å
235	D	97.2	Very high	96.9	Very high	41 Å²	41	25.5 Å²	25.5	22%	0.219	16%	0.155	C	C	.	.			trans	-69.6	152.6	162.1	-84.8	-25.8	0	0	0	111.8	L149 K217 D237 I238 G291 H373	L149-D235 WeakPolarHBondContact CD2-O 3.37Å; K217-D235 WeakPolarHBondContact CE-OD1 3.48Å; K217-D235 IonicContact NZ-OD1 2.87Å; K217-D235 PolarHBondContact NZ-OD1 3.25Å; K217-D235 IonicContact NZ-OD2 2.66Å; K217-D235 PolarHBondContact NZ-OD2 3.46Å; K217-D235 VanDerWaalsContact NZ-OD2 3.09Å; D235-D237 VanDerWaalsContact CB-OD1 3.3Å; D235-D237 WeakPolarHBondContact CB-OD1 2.95Å; D235-D237 PolarHBondContact O-N 2.96Å; D235-I238 HydrophobicContact CB-CD1 4.11Å; D235-I238 HydrophobicContact CB-CG1 4.27Å; D235-G291 PolarHBondContact N-O 2.89Å; D235-G291 VanDerWaalsContact OD2-CA 3.26Å; D235-G291 WeakPolarHBondContact OD2-CA 3.31Å; D235-H373 IonicContact OD2-CE1 3.85Å; D235-H373 IonicContact OD2-NE2 3.09Å
236	T	95.9	Very high	96.9	Very high	27 Å²	27	26.9 Å²	26.9	17%	0.166	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-13.1	-174.1	58.4	0	0	0	0	114.1	C137 V146	C137-T236 HydrophobicContact CB-CG2 4.3Å; V146-T236 HydrophobicContact CB-CG2 3.94Å; V146-T236 HydrophobicContact CG2-CG2 3.93Å
237	D	95.1	Very high	96.9	Very high	17 Å²	17	21.4 Å²	21.4	9%	0.091	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	31	-176	60	-5.9	0	0	0	112.7	D235 H373 W374 K379	D235-D237 VanDerWaalsContact CB-OD1 3.3Å; D235-D237 WeakPolarHBondContact CB-OD1 2.95Å; D235-D237 PolarHBondContact O-N 2.96Å; D237-H373 IonicContact OD1-CD2 3.96Å; D237-H373 PolarHBondContact OD1-CD2 3.06Å; D237-H373 VanDerWaalsContact OD1-CD2 3.28Å; D237-H373 IonicContact OD1-NE2 2.64Å; D237-H373 PolarHBondContact OD1-NE2 2.96Å; D237-W374 HydrophobicContact CB-CB 4.41Å; D237-W374 PolarHBondContact O-N 3.16Å; D237-W374 VanDerWaalsContact O-N 3.12Å; D237-W374 VanDerWaalsContact OD2-O 3.08Å; D237-K379 IonicContact OD2-NZ 2.83Å; D237-K379 PolarHBondContact OD2-NZ 3.04Å
238	I	96.4	Very high	97	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	148.1	177.7	-69.5	-177.6	0	0	0	111	L149 L234 D235 F240 G291 V292 V371 I372 H373	L149-I238 WeakPolarHBondContact CA-O 3.21Å; L149-I238 HydrophobicContact CD1-CB 3.92Å; L149-I238 HydrophobicContact CD1-CG2 3.92Å; L149-I238 WeakPolarHBondContact CD1-O 3.3Å; L234-I238 HydrophobicContact CB-CD1 4.44Å; L234-I238 HydrophobicContact CD2-CD1 4.27Å; D235-I238 HydrophobicContact CB-CD1 4.11Å; D235-I238 HydrophobicContact CB-CG1 4.27Å; I238-F240 HydrophobicContact CG2-CD2 4.02Å; I238-F240 HydrophobicContact CG2-CE2 3.84Å; I238-G291 WeakPolarHBondContact CD1-O 3.42Å; I238-V292 HydrophobicContact CD1-CG2 3.58Å; I238-V371 HydrophobicContact CG2-CG1 3.32Å; I238-I372 CarbonylContact C-O 3.36Å; I238-I372 WeakPolarHBondContact CA-O 2.95Å; I238-H373 HydrophobicContact CG1-CB 4.12Å
239	T	96.9	Very high	96.9	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.006	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	125.8	173.6	-54.4	0	0	0	0	110	I372 L393 F397	T239-I372 PolarHBondContact N-O 2.97Å; T239-I372 PolarHBondContact O-N 3.24Å; T239-L393 HydrophobicContact CG2-CD2 4.49Å; T239-L393 HydrophobicContact CG2-CG 4.26Å; T239-F397 HydrophobicContact CG2-CD2 3.61Å; T239-F397 HydrophobicContact CG2-CE2 4.03Å
240	F	97.1	Very high	96.9	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	140.8	174.9	-84.3	-108.9	0	0	0	110.9	L149 S152 V153 L234 I238 I244 L247 V371	L149-F240 HydrophobicContact CD1-CD2 4.04Å; L149-F240 HydrophobicContact CD1-CE2 4.13Å; S152-F240 PolarHBondContact OG-N 3.36Å; V153-F240 HydrophobicContact CG2-CB 4.32Å; V153-F240 HydrophobicContact CG2-CD1 4.49Å; V153-F240 HydrophobicContact CG2-CD2 3.44Å; V153-F240 VanDerWaalsContact CG2-CD2 3.44Å; V153-F240 HydrophobicContact CG2-CE2 3.83Å; V153-F240 HydrophobicContact CG2-CG 3.82Å; V153-F240 HydrophobicContact CG2-CZ 4.49Å; L234-F240 HydrophobicContact CD1-CE2 3.65Å; L234-F240 HydrophobicContact CD1-CZ 3.96Å; L234-F240 HydrophobicContact CD2-CE2 3.99Å; L234-F240 HydrophobicContact CD2-CZ 3.99Å; L234-F240 HydrophobicContact CG-CE2 4.49Å; I238-F240 HydrophobicContact CG2-CD2 4.02Å; I238-F240 HydrophobicContact CG2-CE2 3.84Å; F240-I244 HydrophobicContact CD1-CB 4.24Å; F240-I244 HydrophobicContact CE1-CB 3.86Å; F240-I244 HydrophobicContact CE1-CD1 4.03Å; F240-I244 HydrophobicContact CE1-CG1 3.71Å; F240-I244 HydrophobicContact CZ-CD1 3.87Å; F240-I244 HydrophobicContact CZ-CG1 4.02Å; F240-L247 HydrophobicContact CE1-CD2 4.32Å; F240-L247 HydrophobicContact CZ-CD2 4.18Å; F240-V371 HydrophobicContact CD1-CG2 3.96Å; F240-V371 HydrophobicContact CE1-CG2 3.71Å; F240-V371 HydrophobicContact CE2-CG1 4.32Å; F240-V371 HydrophobicContact CE2-CG2 4.29Å; F240-V371 HydrophobicContact CG-CG2 4.36Å; F240-V371 HydrophobicContact CZ-CG2 3.89Å
241	A	94.9	Very high	96.9	Very high	31 Å²	31	12 Å²	12	26%	0.256	7%	0.069	S	C	.	.	S	Bend	trans	-115.4	3.5	172.5	0	0	0	0	0	112.5	H156 K370 I372 L393	H156-A241 PolarHBondContact CE1-O 3.31Å; A241-K370 PolarHBondContact N-O 3.13Å; A241-I372 HydrophobicContact CB-CD1 4.14Å; A241-L393 HydrophobicContact CB-CD2 4.29Å
242	T	94.3	Very high	96.7	Very high	16 Å²	16	17.4 Å²	17.4	10%	0.098	9%	0.092	C	C	.	.	S	Bend	trans	-147.8	170.9	-172.4	-150.6	0	0	0	0	110.3	H156 I244 E246 W349 K370	H156-T242 VanDerWaalsContact CB-C 3.47Å; H156-T242 VanDerWaalsContact CB-O 3.24Å; H156-T242 WeakPolarHBondContact CB-O 3.35Å; T242-I244 PolarHBondContact O-N 3.13Å; T242-E246 PolarHBondContact OG1-OE1 3.41Å; T242-W349 HydrophobicContact CG2-CH2 3.75Å; T242-W349 HydrophobicContact CG2-CZ3 3.73Å; T242-K370 HydrophobicContact CG2-CB 3.92Å; T242-K370 HydrophobicContact CG2-CD 3.5Å; T242-K370 VanDerWaalsContact CG2-CD 3.5Å; T242-K370 HydrophobicContact CG2-CG 4.3Å; T242-K370 WeakPolarHBondContact OG1-CD 3.33Å; T242-K370 PolarHBondContact OG1-NZ 3.2Å
243	D	94.8	Very high	96.6	Very high	16 Å²	16	23.1 Å²	23.1	9%	0.086	12%	0.117	C	C	.	.			trans	-68.8	126.4	174.5	-171.1	-3.9	0	0	0	111.8	H156 R158 A245 E246	H156-D243 WeakPolarHBondContact O-CB 3.37Å; R158-D243 VanDerWaalsContact CB-OD2 3.23Å; R158-D243 WeakPolarHBondContact CB-OD2 3.28Å; R158-D243 VanDerWaalsContact CD-OD2 3.29Å; R158-D243 WeakPolarHBondContact CD-OD2 3.49Å; R158-D243 WeakPolarHBondContact CG-OD2 3.4Å; D243-A245 PolarHBondContact O-N 2.85Å; D243-A245 VanDerWaalsContact O-N 3.16Å; D243-A245 PolarHBondContact OD1-N 3.2Å; D243-E246 WeakPolarHBondContact O-CB 3.44Å; D243-E246 PolarHBondContact O-N 3.24Å; D243-E246 VanDerWaalsContact O-N 3.11Å
244	I	96.9	Very high	96.6	Very high	1 Å²	1	23.9 Å²	23.9	1%	0.005	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-20.9	177.4	-167.3	165.5	0	0	0	112.9	I131 V133 V153 L161 I232 L234 F240 T242 E246 L247 W248	I131-I244 HydrophobicContact CD1-CG2 4.29Å; I131-I244 HydrophobicContact CG2-CG2 4.48Å; V133-I244 HydrophobicContact CG2-CD1 3.67Å; V153-I244 HydrophobicContact CG1-CB 4.33Å; V153-I244 HydrophobicContact CG1-CD1 4.07Å; V153-I244 HydrophobicContact CG1-CG2 4.03Å; V153-I244 HydrophobicContact CG2-CD1 4.43Å; L161-I244 HydrophobicContact CD2-CG2 3.9Å; I232-I244 HydrophobicContact CD1-CD1 4.04Å; I232-I244 HydrophobicContact CD1-CG1 3.71Å; L234-I244 HydrophobicContact CD1-CD1 4.25Å; F240-I244 HydrophobicContact CD1-CB 4.24Å; F240-I244 HydrophobicContact CE1-CB 3.86Å; F240-I244 HydrophobicContact CE1-CD1 4.03Å; F240-I244 HydrophobicContact CE1-CG1 3.71Å; F240-I244 HydrophobicContact CZ-CD1 3.87Å; F240-I244 HydrophobicContact CZ-CG1 4.02Å; T242-I244 PolarHBondContact O-N 3.13Å; I244-E246 PolarHBondContact O-N 3.18Å; I244-L247 WeakPolarHBondContact O-CB 3.32Å; I244-L247 PolarHBondContact O-N 2.86Å; I244-L247 VanDerWaalsContact O-N 3.12Å; I244-W248 PolarHBondContact O-N 3.36Å
245	A	96.3	Very high	96.5	Very high	7 Å²	7	27.1 Å²	27.1	6%	0.058	14%	0.14	C	C	.	.	H	α-helix	trans	-58.6	-34.4	173.4	0	0	0	0	0	112.7	V125 I131 D243 L247 W248 G249	V125-A245 HydrophobicContact CB-CB 4.28Å; V125-A245 HydrophobicContact CG1-CB 4.42Å; V125-A245 HydrophobicContact CG2-CB 4.37Å; V125-A245 WeakPolarHBondContact CG2-O 3.48Å; I131-A245 HydrophobicContact CD1-CB 3.73Å; D243-A245 PolarHBondContact O-N 2.85Å; D243-A245 VanDerWaalsContact O-N 3.16Å; D243-A245 PolarHBondContact OD1-N 3.2Å; A245-L247 VanDerWaalsContact C-N 3.31Å; A245-L247 PolarHBondContact O-N 3.32Å; A245-W248 WeakPolarHBondContact O-CB 3.46Å; A245-W248 PolarHBondContact O-N 3.23Å; A245-G249 PolarHBondContact O-N 3.12Å
246	E	95.9	Very high	96.4	Very high	67 Å²	67	31.2 Å²	31.2	31%	0.313	16%	0.162	S	C	.	.	H	α-helix	trans	-61.6	-40.1	175.8	-73	175.9	-112.6	0	0	111.8	T242 D243 I244 G249 W349 K370	T242-E246 PolarHBondContact OG1-OE1 3.41Å; D243-E246 WeakPolarHBondContact O-CB 3.44Å; D243-E246 PolarHBondContact O-N 3.24Å; D243-E246 VanDerWaalsContact O-N 3.11Å; I244-E246 PolarHBondContact O-N 3.18Å; E246-G249 PolarHBondContact O-N 2.74Å; E246-W349 HydrophobicContact CB-CH2 3.56Å; E246-W349 HydrophobicContact CB-CZ2 3.87Å; E246-K370 IonicContact OE1-NZ 3.11Å; E246-K370 IonicContact OE2-NZ 2.77Å; E246-K370 PolarHBondContact OE2-NZ 3.09Å
247	L	97.2	Very high	96.4	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-67.9	-43.5	175.3	-178.7	53.3	0	0	0	111.1	I232 F240 I244 A245 G249 I250 V292 L294 W349	I232-L247 HydrophobicContact CD1-CB 4.38Å; I232-L247 HydrophobicContact CD1-CD2 4.25Å; I232-L247 HydrophobicContact CD1-CG 4.11Å; I232-L247 HydrophobicContact CG2-CD2 3.96Å; F240-L247 HydrophobicContact CE1-CD2 4.32Å; F240-L247 HydrophobicContact CZ-CD2 4.18Å; I244-L247 WeakPolarHBondContact O-CB 3.32Å; I244-L247 PolarHBondContact O-N 2.86Å; I244-L247 VanDerWaalsContact O-N 3.12Å; A245-L247 VanDerWaalsContact C-N 3.31Å; A245-L247 PolarHBondContact O-N 3.32Å; L247-G249 VanDerWaalsContact C-N 3.26Å; L247-G249 PolarHBondContact O-N 3.3Å; L247-I250 HydrophobicContact CD1-CD1 3.96Å; L247-I250 WeakPolarHBondContact O-CB 3.4Å; L247-I250 WeakPolarHBondContact O-CG1 3.46Å; L247-I250 PolarHBondContact O-N 3.3Å; L247-I250 VanDerWaalsContact O-N 3.09Å; L247-V292 HydrophobicContact CD2-CG1 3.82Å; L247-L294 HydrophobicContact CD1-CD1 4.24Å; L247-L294 HydrophobicContact CD1-CD2 3.97Å; L247-L294 HydrophobicContact CD1-CG 4.34Å; L247-L294 HydrophobicContact CG-CD2 3.98Å; L247-W349 HydrophobicContact CB-CD2 4.44Å; L247-W349 HydrophobicContact CB-CE3 3.82Å; L247-W349 HydrophobicContact CB-CH2 3.93Å; L247-W349 HydrophobicContact CB-CZ2 4.48Å; L247-W349 HydrophobicContact CB-CZ3 3.56Å; L247-W349 HydrophobicContact CD1-CD2 3.88Å; L247-W349 HydrophobicContact CD1-CE3 3.84Å; L247-W349 HydrophobicContact CD1-CG 4.2Å; L247-W349 HydrophobicContact CD1-CZ3 4.45Å; L247-W349 HydrophobicContact CD2-CE3 4.12Å; L247-W349 HydrophobicContact CD2-CZ3 4.45Å; L247-W349 HydrophobicContact CG-CE3 4.12Å; L247-W349 HydrophobicContact CG-CZ3 4.35Å
248	W	98.1	Very high	96.5	Very high	5 Å²	5	36.7 Å²	36.7	2%	0.019	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-37.2	175.9	-174.4	-103.2	0	0	0	112.5	V125 E129 I131 H132 K230 I232 I244 A245 I250 F251	V125-W248 HydrophobicContact CG2-CB 4.41Å; E129-W248 PolarHBondContact OE1-NE1 2.97Å; I131-W248 HydrophobicContact CB-CD2 4.41Å; I131-W248 HydrophobicContact CD1-CB 4.12Å; I131-W248 HydrophobicContact CD1-CG 4.3Å; I131-W248 HydrophobicContact CG1-CB 4.27Å; I131-W248 HydrophobicContact CG1-CD2 4.16Å; I131-W248 HydrophobicContact CG1-CG 3.94Å; I131-W248 HydrophobicContact CG2-CB 4.36Å; I131-W248 HydrophobicContact CG2-CD2 4.02Å; I131-W248 HydrophobicContact CG2-CE3 3.77Å; I131-W248 HydrophobicContact CG2-CG 4.3Å; I131-W248 HydrophobicContact CG2-CZ3 4.31Å; H132-W248 HydrophobicContact CB-CH2 4Å; H132-W248 HydrophobicContact CB-CZ3 4.25Å; H132-W248 WeakPolarHBondContact O-CZ3 3.25Å; K230-W248 HydrophobicContact CD-CH2 4.06Å; K230-W248 HydrophobicContact CD-CZ2 3.8Å; K230-W248 HydrophobicContact CG-CH2 3.75Å; K230-W248 HydrophobicContact CG-CZ2 3.88Å; K230-W248 HydrophobicContact CG-CZ3 4.48Å; K230-W248 VanDerWaalsContact NZ-NE1 3.12Å; K230-W248 WeakPolarHBondContact O-CH2 3.47Å; I232-W248 HydrophobicContact CD1-CB 4.13Å; I232-W248 HydrophobicContact CD1-CE3 3.76Å; I232-W248 HydrophobicContact CG1-CE3 3.75Å; I232-W248 HydrophobicContact CG1-CZ3 4.22Å; I244-W248 PolarHBondContact O-N 3.36Å; A245-W248 WeakPolarHBondContact O-CB 3.46Å; A245-W248 PolarHBondContact O-N 3.23Å; W248-I250 PolarHBondContact O-N 3.41Å; W248-I250 VanDerWaalsContact O-N 3.16Å; W248-F251 HydrophobicContact CD2-CD2 4.36Å; W248-F251 HydrophobicContact CE3-CD2 4.21Å; W248-F251 AromaticContact CE3-CE2 3.95Å; W248-F251 HydrophobicContact CE3-CE2 3.95Å; W248-F251 HydrophobicContact CZ3-CE2 4.09Å; W248-F251 WeakPolarHBondContact O-CD2 3.33Å; W248-F251 PolarHBondContact O-N 2.98Å
249	G	96.9	Very high	96.6	Very high	2 Å²	2	36.8 Å²	36.8	2%	0.021	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-60	-22.8	176.6	0	0	0	0	0	113.8	A245 E246 L247 F251 K252	A245-G249 PolarHBondContact O-N 3.12Å; E246-G249 PolarHBondContact O-N 2.74Å; L247-G249 VanDerWaalsContact C-N 3.26Å; L247-G249 PolarHBondContact O-N 3.3Å; G249-F251 PolarHBondContact O-N 2.95Å; G249-K252 WeakPolarHBondContact O-CB 3.07Å; G249-K252 PolarHBondContact O-N 3.16Å; G249-K252 VanDerWaalsContact O-N 3.09Å
250	I	97.5	Very high	96.7	Very high	11 Å²	11	36.8 Å²	36.8	6%	0.056	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-67	-23.9	-179.2	-57.2	-179.5	0	0	0	112.4	L247 W248 K252 K253 F254 L294 L345 W349	L247-I250 HydrophobicContact CD1-CD1 3.96Å; L247-I250 WeakPolarHBondContact O-CB 3.4Å; L247-I250 WeakPolarHBondContact O-CG1 3.46Å; L247-I250 PolarHBondContact O-N 3.3Å; L247-I250 VanDerWaalsContact O-N 3.09Å; W248-I250 PolarHBondContact O-N 3.41Å; W248-I250 VanDerWaalsContact O-N 3.16Å; I250-K252 PolarHBondContact O-N 3.4Å; I250-K252 VanDerWaalsContact O-N 3.07Å; I250-K253 WeakPolarHBondContact O-CA 3.37Å; I250-K253 WeakPolarHBondContact O-CB 3.34Å; I250-K253 PolarHBondContact O-N 3.26Å; I250-F254 HydrophobicContact CG2-CE1 4.37Å; I250-L294 HydrophobicContact CB-CD1 3.88Å; I250-L294 HydrophobicContact CG2-CD1 4Å; I250-L345 HydrophobicContact CB-CD2 4.4Å; I250-L345 HydrophobicContact CD1-CD2 3.83Å; I250-L345 HydrophobicContact CG2-CD2 3.61Å; I250-W349 HydrophobicContact CD1-CD2 4.44Å; I250-W349 HydrophobicContact CD1-CG 4.46Å; I250-W349 HydrophobicContact CD1-CZ2 4.44Å
251	F	97.7	Very high	96.8	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.035	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-54.9	-29	171.4	-80.8	-71	0	0	0	112.9	K230 V231 I232 W248 G249 K253 F254 L294 Y296	K230-F251 HydrophobicContact CB-CD1 4.13Å; K230-F251 HydrophobicContact CB-CD2 4.42Å; K230-F251 HydrophobicContact CB-CE1 3.79Å; K230-F251 HydrophobicContact CB-CE2 4.09Å; K230-F251 HydrophobicContact CB-CG 4.43Å; K230-F251 HydrophobicContact CB-CZ 3.76Å; K230-F251 HydrophobicContact CD-CB 3.93Å; K230-F251 HydrophobicContact CD-CD1 4.12Å; K230-F251 HydrophobicContact CD-CD2 3.64Å; K230-F251 HydrophobicContact CD-CE2 4.1Å; K230-F251 HydrophobicContact CD-CG 3.64Å; K230-F251 HydrophobicContact CG-CD2 4.49Å; K230-F251 HydrophobicContact CG-CE2 4.48Å; V231-F251 WeakPolarHBondContact O-CZ 3.4Å; I232-F251 HydrophobicContact CG1-CE2 4.4Å; W248-F251 HydrophobicContact CD2-CD2 4.36Å; W248-F251 HydrophobicContact CE3-CD2 4.21Å; W248-F251 AromaticContact CE3-CE2 3.95Å; W248-F251 HydrophobicContact CE3-CE2 3.95Å; W248-F251 HydrophobicContact CZ3-CE2 4.09Å; W248-F251 WeakPolarHBondContact O-CD2 3.33Å; W248-F251 PolarHBondContact O-N 2.98Å; G249-F251 PolarHBondContact O-N 2.95Å; F251-K253 PolarHBondContact O-N 3.07Å; F251-F254 HydrophobicContact CD1-CD2 4.35Å; F251-F254 HydrophobicContact CD1-CE2 4.05Å; F251-F254 HydrophobicContact CD1-CZ 4.17Å; F251-F254 HydrophobicContact CE1-CE2 4.18Å; F251-F254 HydrophobicContact CE1-CZ 4.31Å; F251-F254 WeakPolarHBondContact O-CB 3.38Å; F251-F254 PolarHBondContact O-N 3.29Å; F251-L294 HydrophobicContact CD2-CD2 4.5Å; F251-L294 HydrophobicContact CE1-CB 3.82Å; F251-L294 HydrophobicContact CE2-CB 4.16Å; F251-L294 HydrophobicContact CE2-CD2 3.84Å; F251-L294 HydrophobicContact CE2-CG 4.42Å; F251-L294 HydrophobicContact CZ-CB 3.61Å; F251-L294 HydrophobicContact CZ-CD2 4.11Å; F251-L294 HydrophobicContact CZ-CG 4.35Å; F251-Y296 AromaticContact CD1-CD2 3.84Å; F251-Y296 HydrophobicContact CD1-CD2 3.84Å; F251-Y296 HydrophobicContact CD1-CE2 4.35Å; F251-Y296 HydrophobicContact CD1-CG 4.49Å; F251-Y296 HydrophobicContact CE1-CD2 4.32Å
252	K	96.2	Very high	97	Very high	112 Å²	112	35.3 Å²	35.3	49%	0.487	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-69.9	-17.1	176.6	-62.1	177.1	177.4	-176.2	0	113	P123 L124 G249 I250	P123-K252 HydrophobicContact CB-CB 4.43Å; P123-K252 HydrophobicContact CB-CD 3.97Å; P123-K252 HydrophobicContact CG-CB 4.42Å; L124-K252 PolarHBondContact O-NZ 3.01Å; G249-K252 WeakPolarHBondContact O-CB 3.07Å; G249-K252 PolarHBondContact O-N 3.16Å; G249-K252 VanDerWaalsContact O-N 3.09Å; I250-K252 PolarHBondContact O-N 3.4Å; I250-K252 VanDerWaalsContact O-N 3.07Å
253	K	96.6	Very high	97.1	Very high	120 Å²	120	34.6 Å²	34.6	52%	0.522	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-90.8	-4.2	177	-58.9	-177.2	178.8	-177.4	0	113	I250 F251	I250-K253 WeakPolarHBondContact O-CA 3.37Å; I250-K253 WeakPolarHBondContact O-CB 3.34Å; I250-K253 PolarHBondContact O-N 3.26Å; F251-K253 PolarHBondContact O-N 3.07Å
254	F	97.6	Very high	97.3	Very high	18 Å²	18	36.8 Å²	36.8	8%	0.079	18%	0.177	C	C	.	.			trans	-70	136.1	177.3	-79.1	28.6	0	0	0	109.4	I250 F251 Q258 L294 Y296 H343	I250-F254 HydrophobicContact CG2-CE1 4.37Å; F251-F254 HydrophobicContact CD1-CD2 4.35Å; F251-F254 HydrophobicContact CD1-CE2 4.05Å; F251-F254 HydrophobicContact CD1-CZ 4.17Å; F251-F254 HydrophobicContact CE1-CE2 4.18Å; F251-F254 HydrophobicContact CE1-CZ 4.31Å; F251-F254 WeakPolarHBondContact O-CB 3.38Å; F251-F254 PolarHBondContact O-N 3.29Å; F254-Q258 HydrophobicContact CB-CB 4.02Å; F254-Q258 HydrophobicContact CD2-CB 3.9Å; F254-Q258 HydrophobicContact CG-CB 4.04Å; F254-L294 HydrophobicContact CE1-CD1 4.1Å; F254-L294 HydrophobicContact CZ-CB 3.83Å; F254-L294 HydrophobicContact CZ-CD1 4.18Å; F254-Y296 AromaticContact CD2-CD2 3.99Å; F254-Y296 HydrophobicContact CD2-CD2 3.99Å; F254-H343 HydrophobicContact CD1-CB 3.77Å; F254-H343 AromaticContact CD1-CG 3.69Å; F254-H343 AromaticContact CD1-ND1 3.92Å; F254-H343 HydrophobicContact CE1-CB 3.5Å; F254-H343 AromaticContact CE1-CD2 3.86Å; F254-H343 AromaticContact CE1-CG 3.62Å; F254-H343 HydrophobicContact CG-CB 4.38Å; F254-H343 HydrophobicContact CZ-CB 3.92Å
255	T	97.1	Very high	97.2	Very high	68 Å²	68	37 Å²	37	42%	0.417	18%	0.178	S	C	.	.			trans	-64.9	169.6	165.7	67.3	0	0	0	0	110.2	K257 Q258 R299	T255-K257 PolarHBondContact O-N 3.18Å; T255-K257 PolarHBondContact OG1-N 2.81Å; T255-Q258 PolarHBondContact O-N 2.94Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.39Å; T255-Q258 PolarHBondContact OG1-N 3.3Å; T255-R299 PolarHBondContact O-NH1 2.91Å
256	D	94.7	Very high	97.1	Very high	128 Å²	128	37.2 Å²	37.2	68%	0.684	18%	0.178	S	C	*	.	S	Bend	trans	-55.7	-28.9	172.5	60.6	-29.6	0	0	0	113.7	R299	D256-R299 PolarHBondContact O-NH1 2.95Å
257	K	95.8	Very high	97	Very high	129 Å²	129	34.7 Å²	34.7	56%	0.561	17%	0.167	S	C	*	.	S	Bend	trans	-88.9	-27.1	-180	-62.8	-179	-175.6	178.7	0	114.5	T255 L341	T255-K257 PolarHBondContact O-N 3.18Å; T255-K257 PolarHBondContact OG1-N 2.81Å; K257-L341 WeakPolarHBondContact O-CD2 3.47Å
258	Q	98.3	Very high	96.7	Very high	29 Å²	29	36.3 Å²	36.3	14%	0.136	18%	0.176	C	C	.	.			trans	-70.9	136.4	-174.9	-76.9	169.1	-24.3	0	0	111.5	F254 T255 R299 L341 V342 H343	F254-Q258 HydrophobicContact CB-CB 4.02Å; F254-Q258 HydrophobicContact CD2-CB 3.9Å; F254-Q258 HydrophobicContact CG-CB 4.04Å; T255-Q258 PolarHBondContact O-N 2.94Å; T255-Q258 WeakPolarHBondContact OG1-CG 3.39Å; T255-Q258 PolarHBondContact OG1-N 3.3Å; Q258-R299 PolarHBondContact O-NH1 2.75Å; Q258-L341 WeakPolarHBondContact CA-O 3.08Å; Q258-V342 PolarHBondContact NE2-O 3.45Å; Q258-H343 HydrophobicContact CB-CB 4.43Å; Q258-H343 HydrophobicContact CG-CB 4.29Å; Q258-H343 PolarHBondContact OE1-ND1 2.83Å; Q258-H343 VanDerWaalsContact OE1-ND1 3.11Å
259	V	98.3	Very high	96.5	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	19%	0.186	C	C	.	.			trans	-131.4	-19.2	-176.4	-56.7	0	0	0	0	113.6	Y296 R299 L300 I303 L341	V259-Y296 WeakPolarHBondContact O-CB 3.41Å; V259-Y296 PolarHBondContact O-N 3.49Å; V259-R299 HydrophobicContact CB-CB 4.26Å; V259-R299 HydrophobicContact CG1-CB 3.44Å; V259-R299 VanDerWaalsContact CG1-CB 3.44Å; V259-R299 HydrophobicContact CG1-CG 4.43Å; V259-L300 HydrophobicContact CB-CD2 4.06Å; V259-L300 HydrophobicContact CB-CG 4.07Å; V259-L300 HydrophobicContact CG2-CD2 3.64Å; V259-L300 HydrophobicContact CG2-CG 4.21Å; V259-I303 HydrophobicContact CG1-CD1 4.3Å; V259-I303 HydrophobicContact CG2-CD1 4.05Å; V259-L341 HydrophobicContact CG2-CB 4.08Å; V259-L341 PolarHBondContact N-O 3.01Å
260	I	98.6	Very high	96.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	133.5	179.2	-67.7	155.2	0	0	0	108.7	L262 I293 L294 L295 L300 W305 F331 F334 L341 V342 H343	I260-L262 HydrophobicContact CG2-CD1 3.49Å; I260-L262 VanDerWaalsContact CG2-CD1 3.49Å; I260-L262 HydrophobicContact CG2-CG 3.65Å; I260-I293 HydrophobicContact CG2-CG2 4.03Å; I260-L294 CarbonylContact C-O 3.12Å; I260-L294 VanDerWaalsContact CA-O 3.31Å; I260-L294 WeakPolarHBondContact CA-O 3.07Å; I260-L295 HydrophobicContact CG1-CD2 3.9Å; I260-L300 HydrophobicContact CD1-CD2 4.08Å; I260-L300 HydrophobicContact CG1-CD1 4.43Å; I260-L300 HydrophobicContact CG1-CD2 4.13Å; I260-W305 HydrophobicContact CD1-CH2 4.25Å; I260-W305 HydrophobicContact CD1-CZ3 4.12Å; I260-F331 HydrophobicContact CD1-CD1 4.19Å; I260-F331 HydrophobicContact CD1-CE1 4.01Å; I260-F334 HydrophobicContact CD1-CE1 4.42Å; I260-L341 PolarHBondContact N-O 2.76Å; I260-V342 CarbonylContact O-C 3.55Å; I260-V342 VanDerWaalsContact O-CA 3.3Å; I260-V342 WeakPolarHBondContact O-CA 3.48Å; I260-H343 PolarHBondContact O-N 3.45Å
261	G	98.6	Very high	96.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	128.3	169.2	0	0	0	0	0	111.1	I293 L294 H343	G261-I293 WeakPolarHBondContact O-CA 3.37Å; G261-L294 PolarHBondContact N-O 3.31Å; G261-L294 PolarHBondContact O-N 3.28Å; G261-H343 VanDerWaalsContact CA-O 3.24Å; G261-H343 WeakPolarHBondContact CA-O 3.08Å
262	L	98.5	Very high	95.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.2	-175	-73.6	163.1	0	0	0	111.4	I260 F288 N289 T290 I293 I335 H343 L345	I260-L262 HydrophobicContact CG2-CD1 3.49Å; I260-L262 VanDerWaalsContact CG2-CD1 3.49Å; I260-L262 HydrophobicContact CG2-CG 3.65Å; L262-F288 HydrophobicContact CB-CB 3.84Å; L262-F288 HydrophobicContact CB-CD1 3.63Å; L262-F288 HydrophobicContact CB-CG 3.96Å; L262-F288 HydrophobicContact CD1-CB 3.83Å; L262-F288 HydrophobicContact CD1-CG 4.23Å; L262-F288 HydrophobicContact CG-CB 4.35Å; L262-N289 WeakPolarHBondContact CD2-O 3.14Å; L262-T290 HydrophobicContact CD2-CG2 4.31Å; L262-I293 HydrophobicContact CD2-CB 4.04Å; L262-I293 HydrophobicContact CD2-CD1 4.45Å; L262-I293 HydrophobicContact CD2-CG1 3.76Å; L262-I293 HydrophobicContact CD2-CG2 3.73Å; L262-I293 HydrophobicContact CG-CG2 4.18Å; L262-I335 HydrophobicContact CD1-CD1 3.49Å; L262-I335 VanDerWaalsContact CD1-CD1 3.49Å; L262-H343 PolarHBondContact N-O 3.38Å; L262-H343 VanDerWaalsContact N-O 3.11Å; L262-L345 PolarHBondContact O-N 3.1Å
263	V	98	Very high	94.6	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.8	171.6	173.4	0	0	0	0	109.9	N265 F288 N289 L345 C347 W349 N350	V263-N265 PolarHBondContact O-N 2.78Å; V263-F288 WeakPolarHBondContact O-CA 3.45Å; V263-N289 PolarHBondContact O-N 2.92Å; V263-L345 HydrophobicContact CG2-CB 3.5Å; V263-L345 HydrophobicContact CG2-CD1 4.15Å; V263-L345 HydrophobicContact CG2-CG 4.46Å; V263-C347 HydrophobicContact CG1-CB 3.9Å; V263-W349 HydrophobicContact CG2-CB 4.11Å; V263-N350 HydrophobicContact CB-CB 3.66Å; V263-N350 HydrophobicContact CG1-CB 3.95Å; V263-N350 HydrophobicContact CG2-CB 3.55Å
264	E	97.4	Very high	93.5	Very high	63 Å²	63	39.5 Å²	39.5	29%	0.294	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.1	137.7	173.8	-167.2	-174.4	-135.1	0	0	110.2	Q266 R286 G287 Q352	E264-Q266 PolarHBondContact O-N 3.12Å; E264-R286 HydrophobicContact CG-CB 4.08Å; E264-R286 IonicContact OE2-NH1 3.85Å; E264-G287 CarbonylContact C-O 3.58Å; E264-G287 WeakPolarHBondContact CA-O 3.41Å; E264-G287 VanDerWaalsContact CG-O 3.31Å; E264-G287 WeakPolarHBondContact CG-O 3.42Å; E264-Q352 PolarHBondContact O-NE2 3.33Å
265	N	96.3	Very high	92.6	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.3	128.3	175.4	165.9	65.3	0	0	0	109.7	V263 S267 R286 G287 Q352	V263-N265 PolarHBondContact O-N 2.78Å; N265-S267 PolarHBondContact ND2-O 3.11Å; N265-S267 PolarHBondContact ND2-OG 3.2Å; N265-S267 PolarHBondContact O-N 3.25Å; N265-S267 PolarHBondContact OD1-OG 3.29Å; N265-R286 WeakPolarHBondContact CB-O 3.4Å; N265-R286 PolarHBondContact ND2-O 3.02Å; N265-R286 WeakPolarHBondContact O-CB 3.38Å; N265-G287 PolarHBondContact N-O 2.78Å; N265-Q352 PolarHBondContact OD1-OE1 2.71Å
266	Q	94.6	Very high	91.5	Very high	13 Å²	13	51.6 Å²	51.6	6%	0.061	25%	0.246	C	C	.	.	S	Bend	trans	-86.7	12.1	-170.7	-67.9	172.7	4.5	0	0	113.3	E264 N350 Q352 T357 R358 C362	E264-Q266 PolarHBondContact O-N 3.12Å; Q266-N350 PolarHBondContact NE2-O 3.31Å; Q266-Q352 HydrophobicContact CB-CB 4.32Å; Q266-T357 HydrophobicContact CB-CG2 4.16Å; Q266-T357 CarbonylContact O-C 3.56Å; Q266-T357 WeakPolarHBondContact O-CA 3.17Å; Q266-R358 PolarHBondContact O-N 2.81Å; Q266-C362 PolarHBondContact NE2-SG 3Å
267	S	92.1	Very high	90.7	Very high	13 Å²	13	53.6 Å²	53.6	9%	0.091	26%	0.257	C	S	.	.	S	Bend	trans	-121.1	161.4	176.8	68.4	0	0	0	0	110.9	N265 W269	N265-S267 PolarHBondContact ND2-O 3.11Å; N265-S267 PolarHBondContact ND2-OG 3.2Å; N265-S267 PolarHBondContact O-N 3.25Å; N265-S267 PolarHBondContact OD1-OG 3.29Å; S267-W269 PolarHBondContact O-N 2.87Å; S267-W269 VanDerWaalsContact O-N 3.12Å
268	D	92.7	Very high	90.1	Very high	34 Å²	34	49.1 Å²	49.1	18%	0.182	24%	0.238	C	C	.	.	S	Bend	trans	-82.5	23.2	177.1	-63.9	-29.8	0	0	0	112.7	Y270 L271 G272 L274 R286 R358	D268-Y270 PolarHBondContact O-N 3.05Å; D268-L271 HydrophobicContact CB-CB 4.32Å; D268-L271 HydrophobicContact CB-CD1 4.08Å; D268-L271 HydrophobicContact CB-CG 4.46Å; D268-L271 PolarHBondContact O-N 2.9Å; D268-L271 VanDerWaalsContact O-N 3.11Å; D268-L271 WeakPolarHBondContact OD1-CD1 3.26Å; D268-G272 PolarHBondContact O-N 3.06Å; D268-L274 VanDerWaalsContact C-CD1 3.42Å; D268-R286 IonicContact OD1-CZ 2.84Å; D268-R286 IonicContact OD1-NE 3.92Å; D268-R286 PolarHBondContact OD1-NE 3.39Å; D268-R286 IonicContact OD1-NH2 3.31Å; D268-R358 IonicContact OD1-CZ 3.49Å; D268-R358 IonicContact OD1-NE 3.36Å; D268-R358 IonicContact OD1-NH2 2.96Å; D268-R358 PolarHBondContact OD1-NH2 2.83Å; D268-R358 IonicContact OD2-CZ 2.87Å; D268-R358 IonicContact OD2-NE 3.85Å; D268-R358 IonicContact OD2-NH2 2.9Å; D268-R358 PolarHBondContact OD2-NH2 3.4Å
269	W	92.3	Very high	89.6	Confident	59 Å²	59	53.8 Å²	53.8	22%	0.223	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-51.3	-57.1	-177.6	-178.2	-91.6	0	0	0	111.8	S267 L271 G272 L274 H278 L325	S267-W269 PolarHBondContact O-N 2.87Å; S267-W269 VanDerWaalsContact O-N 3.12Å; W269-L271 PolarHBondContact O-N 3.25Å; W269-G272 PolarHBondContact O-N 3.38Å; W269-L274 HydrophobicContact CB-CD1 4.05Å; W269-L274 HydrophobicContact CE3-CD1 4.27Å; W269-H278 AromaticContact CD2-CE1 3.63Å; W269-H278 AromaticContact CE2-CE1 3.82Å; W269-H278 AromaticContact CE2-NE2 3.71Å; W269-H278 AromaticContact CE3-CE1 3.86Å; W269-H278 AromaticContact CZ2-NE2 3.83Å; W269-H278 PolarHBondContact O-CE1 3.33Å; W269-L325 HydrophobicContact CD2-CD1 3.93Å; W269-L325 HydrophobicContact CG-CD1 3.91Å; W269-L325 HydrophobicContact CZ2-CD1 4.2Å; W269-L325 HydrophobicContact CZ2-CD2 4.22Å; W269-L325 HydrophobicContact CZ2-CG 3.97Å; W269-L325 VanDerWaalsContact NE1-CD1 3.28Å
270	Y	94.6	Very high	89.3	Confident	13 Å²	13	55.2 Å²	55.2	5%	0.051	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-77.1	-6.7	-177.4	-67.2	-77.1	0	0	0	114.5	D268 G272 P280 W281 A283 R286 L325 Q328 D329 N332	D268-Y270 PolarHBondContact O-N 3.05Å; Y270-G272 VanDerWaalsContact C-N 3.34Å; Y270-P280 HydrophobicContact CD1-CB 4.39Å; Y270-P280 WeakPolarHBondContact O-CG 3.3Å; Y270-W281 WeakPolarHBondContact CD1-O 3.3Å; Y270-W281 HydrophobicContact CE1-CB 4.14Å; Y270-A283 HydrophobicContact CD1-CB 3.71Å; Y270-A283 HydrophobicContact CD2-CB 4.4Å; Y270-A283 HydrophobicContact CE1-CB 4.46Å; Y270-A283 HydrophobicContact CG-CB 3.67Å; Y270-R286 WeakPolarHBondContact CD2-O 3.41Å; Y270-L325 HydrophobicContact CE2-CD1 4.49Å; Y270-Q328 PolarHBondContact OH-NE2 2.95Å; Y270-Q328 VanDerWaalsContact OH-NE2 3.1Å; Y270-D329 VanDerWaalsContact CE1-OD1 3.32Å; Y270-D329 WeakPolarHBondContact CE1-OD1 3.38Å; Y270-D329 PolarHBondContact OH-OD1 2.72Å; Y270-N332 HydrophobicContact CE1-CB 4.24Å
271	L	92.5	Very high	89.2	Confident	69 Å²	69	55.4 Å²	55.4	36%	0.361	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-81.8	-14.7	172.1	-59.1	-177.4	0	0	0	112.5	D268 W269 N273 G285 R286	D268-L271 HydrophobicContact CB-CB 4.32Å; D268-L271 HydrophobicContact CB-CD1 4.08Å; D268-L271 HydrophobicContact CB-CG 4.46Å; D268-L271 PolarHBondContact O-N 2.9Å; D268-L271 VanDerWaalsContact O-N 3.11Å; D268-L271 WeakPolarHBondContact OD1-CD1 3.26Å; W269-L271 PolarHBondContact O-N 3.25Å; L271-N273 VanDerWaalsContact C-N 3.28Å; L271-N273 PolarHBondContact O-N 3.3Å; L271-N273 PolarHBondContact O-OD1 2.84Å; L271-G285 VanDerWaalsContact CD2-O 3.31Å; L271-G285 WeakPolarHBondContact CD2-O 3.31Å; L271-R286 HydrophobicContact CD1-CG 3.95Å; L271-R286 HydrophobicContact CD2-CG 4.46Å; L271-R286 HydrophobicContact CG-CG 4.11Å
272	G	84.4	Confident	89.1	Confident	18 Å²	18	56.6 Å²	56.6	19%	0.186	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.3	6.8	179.3	0	0	0	0	0	114.8	D268 W269 Y270	D268-G272 PolarHBondContact O-N 3.06Å; W269-G272 PolarHBondContact O-N 3.38Å; Y270-G272 VanDerWaalsContact C-N 3.34Å
273	N	77	Confident	89	Confident	125 Å²	125	57.3 Å²	57.3	67%	0.668	28%	0.281	S	S	*	.			trans	-93	-1	-170.2	-65.5	-20	0	0	0	114.8	L271	L271-N273 VanDerWaalsContact C-N 3.28Å; L271-N273 PolarHBondContact O-N 3.3Å; L271-N273 PolarHBondContact O-OD1 2.84Å
274	L	73.9	Confident	88.9	Confident	42 Å²	42	60.1 Å²	60.1	22%	0.22	30%	0.296	C	S	.	.	S	Bend	trans	-73.3	-38.5	-175.7	-85.7	131.6	0	0	0	114.2	D268 W269 H356	D268-L274 VanDerWaalsContact C-CD1 3.42Å; W269-L274 HydrophobicContact CB-CD1 4.05Å; W269-L274 HydrophobicContact CE3-CD1 4.27Å; L274-H356 HydrophobicContact CD2-CB 3.96Å
275	W	79.9	Confident	88.8	Confident	139 Å²	139	59.6 Å²	59.6	53%	0.527	31%	0.307	S	S	.	.	S	Bend	trans	-145.7	151.3	-172.4	-27.1	96.4	0	0	0	111.1	N277 H278 H356	W275-N277 PolarHBondContact O-N 3.47Å; W275-H278 HydrophobicContact CB-CB 4.35Å; W275-H278 AromaticContact CD1-ND1 3.96Å; W275-H278 WeakPolarHBondContact O-CB 3.33Å; W275-H278 PolarHBondContact O-N 3.31Å; W275-H278 VanDerWaalsContact O-N 3.16Å; W275-H356 AromaticContact CH2-CE1 3.97Å; W275-H356 AromaticContact CH2-NE2 3.47Å; W275-H356 WeakPolarHBondContact CH2-NE2 3.06Å
276	K	72.9	Confident	88.7	Confident	200 Å²	200	62.6 Å²	62.6	87%	0.87	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	128.2	171.1	-69.2	-174.7	178.6	-179.3	0	109.1
277	N	78.4	Confident	88.8	Confident	170 Å²	170	62 Å²	62	91%	0.909	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.2	13	-177.8	-46.8	-33.6	0	0	0	116.2	W275 K279	W275-N277 PolarHBondContact O-N 3.47Å; N277-K279 PolarHBondContact O-N 3.01Å
278	H	83.3	Confident	89.1	Confident	35 Å²	35	61.8 Å²	61.8	16%	0.162	31%	0.313	C	S	.	.			trans	-70.2	112.2	169.7	-177.7	-162.1	0	0	0	110.3	W269 W275 P280	W269-H278 AromaticContact CD2-CE1 3.63Å; W269-H278 AromaticContact CE2-CE1 3.82Å; W269-H278 AromaticContact CE2-NE2 3.71Å; W269-H278 AromaticContact CE3-CE1 3.86Å; W269-H278 AromaticContact CZ2-NE2 3.83Å; W269-H278 PolarHBondContact O-CE1 3.33Å; W275-H278 HydrophobicContact CB-CB 4.35Å; W275-H278 AromaticContact CD1-ND1 3.96Å; W275-H278 WeakPolarHBondContact O-CB 3.33Å; W275-H278 PolarHBondContact O-N 3.31Å; W275-H278 VanDerWaalsContact O-N 3.16Å; H278-P280 WeakPolarHBondContact O-CD 3.36Å
279	K	88.3	Confident	89.4	Confident	127 Å²	127	60.5 Å²	60.5	55%	0.552	31%	0.306	S	S	*	.			trans	-100.8	105.7	169.4	-171.8	-175.7	176.2	-166.1	0	108.7	N277 S319 M320	N277-K279 PolarHBondContact O-N 3.01Å; K279-S319 PolarHBondContact NZ-O 3.2Å; K279-S319 VanDerWaalsContact NZ-O 3.09Å; K279-M320 HydrophobicContact CD-CE 4.49Å; K279-M320 HydrophobicContact CD-SD 3.92Å; K279-M320 VanDerWaalsContact CE-SD 3.59Å; K279-M320 HydrophobicContact CG-CE 4.22Å; K279-M320 HydrophobicContact CG-SD 4.15Å; K279-M320 VanDerWaalsContact O-CE 3.3Å; K279-M320 WeakPolarHBondContact O-CE 3.25Å
280	P	91.8	Very high	89.6	Confident	34 Å²	34	57.9 Å²	57.9	22%	0.221	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-76.8	155.9	178.8	31.3	-35.1	0	0	0	111.7	Y270 H278 M320	Y270-P280 HydrophobicContact CD1-CB 4.39Å; Y270-P280 WeakPolarHBondContact O-CG 3.3Å; H278-P280 WeakPolarHBondContact O-CD 3.36Å; P280-M320 VanDerWaalsContact C-CE 3.47Å; P280-M320 WeakPolarHBondContact O-CE 3.3Å
281	W	95.3	Very high	89.8	Confident	5 Å²	5	57.2 Å²	57.2	2%	0.019	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-63.3	155.6	165.1	-84.5	70.2	0	0	0	110.6	Y270 A283 E316 L317 M320 S322 T323 D329 I330 A333	Y270-W281 WeakPolarHBondContact CD1-O 3.3Å; Y270-W281 HydrophobicContact CE1-CB 4.14Å; W281-A283 PolarHBondContact O-N 3.41Å; W281-E316 HydrophobicContact CE3-CB 3.82Å; W281-E316 HydrophobicContact CE3-CG 4.29Å; W281-E316 HydrophobicContact CH2-CB 3.9Å; W281-E316 HydrophobicContact CZ3-CB 3.36Å; W281-E316 HydrophobicContact CZ3-CG 4.08Å; W281-L317 HydrophobicContact CH2-CD2 4.01Å; W281-L317 HydrophobicContact CH2-CG 4.03Å; W281-L317 HydrophobicContact CZ2-CD2 3.91Å; W281-L317 HydrophobicContact CZ2-CG 4.42Å; W281-M320 HydrophobicContact CB-CE 4.45Å; W281-M320 VanDerWaalsContact CD1-CE 3.44Å; W281-M320 HydrophobicContact CD2-CB 4.38Å; W281-M320 HydrophobicContact CD2-CG 4.14Å; W281-M320 HydrophobicContact CG-CE 3.93Å; W281-M320 HydrophobicContact CG-CG 4.34Å; W281-M320 HydrophobicContact CZ2-CB 3.85Å; W281-M320 HydrophobicContact CZ2-CG 4.41Å; W281-S322 PolarHBondContact NE1-O 3.15Å; W281-T323 HydrophobicContact CH2-CG2 3.85Å; W281-T323 HydrophobicContact CZ2-CG2 3.6Å; W281-D329 HydrophobicContact CB-CB 3.98Å; W281-D329 HydrophobicContact CD2-CB 3.64Å; W281-D329 HydrophobicContact CE3-CB 3.96Å; W281-D329 HydrophobicContact CG-CB 3.63Å; W281-I330 HydrophobicContact CH2-CG1 4.47Å; W281-I330 HydrophobicContact CZ3-CG1 4.19Å; W281-A333 HydrophobicContact CE3-CB 4.22Å
282	P	96.3	Very high	90.1	Very high	25 Å²	25	54 Å²	54	16%	0.162	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-62.5	131.6	179.2	-16.6	27.8	0	0	0	111.6	E316 N332 A333 K336	P282-E316 HydrophobicContact CG-CG 4.24Å; P282-E316 WeakPolarHBondContact CG-OE2 3.34Å; P282-N332 CarbonylContact O-C 3.58Å; P282-A333 HydrophobicContact CB-CB 4.49Å; P282-A333 HydrophobicContact CG-CB 4.48Å; P282-A333 WeakPolarHBondContact O-CA 3.4Å; P282-A333 PolarHBondContact O-N 3.41Å; P282-A333 VanDerWaalsContact O-N 3.07Å; P282-K336 HydrophobicContact CB-CD 3.44Å; P282-K336 VanDerWaalsContact CB-CD 3.44Å
283	A	97.2	Very high	90.7	Very high	15 Å²	15	53.1 Å²	53.1	12%	0.124	27%	0.268	C	S	.	.			trans	-143.9	169.6	172	0	0	0	0	0	111.9	Y270 W281 N332 K336	Y270-A283 HydrophobicContact CD1-CB 3.71Å; Y270-A283 HydrophobicContact CD2-CB 4.4Å; Y270-A283 HydrophobicContact CE1-CB 4.46Å; Y270-A283 HydrophobicContact CG-CB 3.67Å; W281-A283 PolarHBondContact O-N 3.41Å; A283-N332 HydrophobicContact CB-CB 3.8Å; A283-K336 WeakPolarHBondContact O-CD 3.23Å
284	L	95.8	Very high	91.8	Very high	59 Å²	59	47.1 Å²	47.1	31%	0.309	24%	0.236	S	C	.	.	S	Bend	trans	-87.6	125.9	165.1	-63.9	175.1	0	0	0	109.5	R286 G287 I335 K336 P339	L284-R286 PolarHBondContact O-N 3.17Å; L284-G287 WeakPolarHBondContact O-CA 3.49Å; L284-G287 PolarHBondContact O-N 3.43Å; L284-I335 HydrophobicContact CD1-CG2 3.59Å; L284-I335 HydrophobicContact CG-CG2 4.29Å; L284-K336 HydrophobicContact CD2-CB 4.4Å; L284-K336 HydrophobicContact CD2-CG 4.11Å; L284-K336 HydrophobicContact CG-CB 4.39Å; L284-P339 HydrophobicContact CD1-CB 3.67Å
285	G	94.8	Very high	93	Very high	52 Å²	52	45.3 Å²	45.3	54%	0.536	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	-127	178.9	0	0	0	0	0	111.8	L271 G287	L271-G285 VanDerWaalsContact CD2-O 3.31Å; L271-G285 WeakPolarHBondContact CD2-O 3.31Å; G285-G287 PolarHBondContact O-N 2.88Å
286	R	95.1	Very high	93.8	Very high	67 Å²	67	40.9 Å²	40.9	25%	0.253	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	2.3	175.2	-69.5	-171.3	-176.4	87.1	7.1	114.3	E264 N265 D268 Y270 L271 L284	E264-R286 HydrophobicContact CG-CB 4.08Å; E264-R286 IonicContact OE2-NH1 3.85Å; N265-R286 WeakPolarHBondContact CB-O 3.4Å; N265-R286 PolarHBondContact ND2-O 3.02Å; N265-R286 WeakPolarHBondContact O-CB 3.38Å; D268-R286 IonicContact OD1-CZ 2.84Å; D268-R286 IonicContact OD1-NE 3.92Å; D268-R286 PolarHBondContact OD1-NE 3.39Å; D268-R286 IonicContact OD1-NH2 3.31Å; Y270-R286 WeakPolarHBondContact CD2-O 3.41Å; L271-R286 HydrophobicContact CD1-CG 3.95Å; L271-R286 HydrophobicContact CD2-CG 4.46Å; L271-R286 HydrophobicContact CG-CG 4.11Å; L284-R286 PolarHBondContact O-N 3.17Å
287	G	97.3	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.			trans	71.1	-172.1	-171	0	0	0	0	0	112.6	E264 N265 L284 G285 N332	E264-G287 CarbonylContact C-O 3.58Å; E264-G287 WeakPolarHBondContact CA-O 3.41Å; E264-G287 VanDerWaalsContact CG-O 3.31Å; E264-G287 WeakPolarHBondContact CG-O 3.42Å; N265-G287 PolarHBondContact N-O 2.78Å; L284-G287 WeakPolarHBondContact O-CA 3.49Å; L284-G287 PolarHBondContact O-N 3.43Å; G285-G287 PolarHBondContact O-N 2.88Å; G287-N332 WeakPolarHBondContact CA-OD1 3.47Å
288	F	98.1	Very high	96	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.044	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.7	-177.2	-66.5	-85.6	0	0	0	110.6	L262 V263 Q328 N332 I335 V342 Q344	L262-F288 HydrophobicContact CB-CB 3.84Å; L262-F288 HydrophobicContact CB-CD1 3.63Å; L262-F288 HydrophobicContact CB-CG 3.96Å; L262-F288 HydrophobicContact CD1-CB 3.83Å; L262-F288 HydrophobicContact CD1-CG 4.23Å; L262-F288 HydrophobicContact CG-CB 4.35Å; V263-F288 WeakPolarHBondContact O-CA 3.45Å; F288-Q328 WeakPolarHBondContact O-CG 3.35Å; F288-N332 PolarHBondContact N-OD1 3.02Å; F288-N332 PolarHBondContact O-ND2 3.48Å; F288-I335 HydrophobicContact CD2-CD1 4.15Å; F288-I335 HydrophobicContact CD2-CG2 4.16Å; F288-I335 HydrophobicContact CE2-CG2 3.81Å; F288-V342 HydrophobicContact CE1-CG2 4.33Å; F288-V342 HydrophobicContact CE2-CG1 4.44Å; F288-V342 HydrophobicContact CZ-CG1 4.25Å; F288-V342 HydrophobicContact CZ-CG2 4.24Å; F288-Q344 HydrophobicContact CE1-CB 4.35Å; F288-Q344 HydrophobicContact CE1-CG 4.15Å
289	N	98.1	Very high	96.7	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.037	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	131.9	174.6	178.4	-97.2	0	0	0	111.2	L262 V263 G291 Q328 N350 Q352 H373	L262-N289 WeakPolarHBondContact CD2-O 3.14Å; V263-N289 PolarHBondContact O-N 2.92Å; N289-G291 VanDerWaalsContact C-N 3.32Å; N289-G291 PolarHBondContact O-N 3.15Å; N289-G291 WeakPolarHBondContact OD1-CA 3.41Å; N289-G291 PolarHBondContact OD1-N 2.89Å; N289-Q328 VanDerWaalsContact CA-OE1 3.3Å; N289-Q328 PolarHBondContact ND2-OE1 3.39Å; N289-N350 PolarHBondContact OD1-ND2 2.98Å; N289-Q352 HydrophobicContact CB-CG 4.33Å; N289-H373 PolarHBondContact OD1-CE1 2.92Å; N289-H373 PolarHBondContact OD1-ND1 3.39Å; N289-H373 VanDerWaalsContact OD1-ND1 3.13Å
290	T	97.8	Very high	97.1	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.018	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	17.1	-177.1	51.6	0	0	0	0	114.2	K217 L262 I293 D327 Q328 F331	K217-T290 PolarHBondContact NZ-O 3.37Å; L262-T290 HydrophobicContact CD2-CG2 4.31Å; T290-I293 HydrophobicContact CG2-CD1 4.07Å; T290-I293 WeakPolarHBondContact O-CG1 3.47Å; T290-D327 VanDerWaalsContact CB-OD2 3.32Å; T290-D327 WeakPolarHBondContact CB-OD2 3.27Å; T290-D327 PolarHBondContact OG1-OD1 3.48Å; T290-D327 PolarHBondContact OG1-OD2 3.49Å; T290-D327 VanDerWaalsContact OG1-OD2 3.11Å; T290-Q328 HydrophobicContact CG2-CB 4.11Å; T290-Q328 HydrophobicContact CG2-CG 3.98Å; T290-Q328 WeakPolarHBondContact OG1-CB 3.39Å; T290-F331 HydrophobicContact CG2-CB 4.01Å; T290-F331 HydrophobicContact CG2-CD2 3.71Å; T290-F331 HydrophobicContact CG2-CE2 4.4Å; T290-F331 HydrophobicContact CG2-CG 3.97Å
291	G	97	Very high	97.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	-35.8	174.9	0	0	0	0	0	113.8	L234 D235 I238 N289 H373	L234-G291 CarbonylContact C-O 3.51Å; L234-G291 WeakPolarHBondContact CA-O 3.21Å; D235-G291 PolarHBondContact N-O 2.89Å; D235-G291 VanDerWaalsContact OD2-CA 3.26Å; D235-G291 WeakPolarHBondContact OD2-CA 3.31Å; I238-G291 WeakPolarHBondContact CD1-O 3.42Å; N289-G291 VanDerWaalsContact C-N 3.32Å; N289-G291 PolarHBondContact O-N 3.15Å; N289-G291 WeakPolarHBondContact OD1-CA 3.41Å; N289-G291 PolarHBondContact OD1-N 2.89Å; G291-H373 VanDerWaalsContact CA-CE1 3.46Å; G291-H373 WeakPolarHBondContact CA-CE1 3.45Å
292	V	98.6	Very high	97.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	114.3	175	-178.9	0	0	0	0	108	V233 L234 I238 L247 N350 V371	V233-V292 WeakPolarHBondContact O-CA 3.41Å; L234-V292 HydrophobicContact CD2-CB 4.45Å; L234-V292 HydrophobicContact CD2-CG1 4.16Å; L234-V292 HydrophobicContact CD2-CG2 4.03Å; I238-V292 HydrophobicContact CD1-CG2 3.58Å; L247-V292 HydrophobicContact CD2-CG1 3.82Å; V292-N350 HydrophobicContact CB-CB 4.16Å; V292-N350 HydrophobicContact CG2-CB 3.97Å; V292-V371 HydrophobicContact CG2-CG1 3.98Å
293	I	98.8	Very high	97.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.2	-178.8	-35.5	-179.6	0	0	0	109.9	K217 I232 V233 I260 G261 L262 T290 L295 F331	K217-I293 HydrophobicContact CD-CD1 4.39Å; I232-I293 CarbonylContact C-O 3.56Å; I232-I293 WeakPolarHBondContact CA-O 3.34Å; V233-I293 HydrophobicContact CB-CB 3.94Å; V233-I293 HydrophobicContact CB-CD1 4.33Å; V233-I293 HydrophobicContact CB-CG1 4.16Å; V233-I293 HydrophobicContact CG1-CD1 4.45Å; V233-I293 HydrophobicContact CG2-CB 4.25Å; V233-I293 PolarHBondContact N-O 3.11Å; V233-I293 PolarHBondContact O-N 2.76Å; I260-I293 HydrophobicContact CG2-CG2 4.03Å; G261-I293 WeakPolarHBondContact O-CA 3.37Å; L262-I293 HydrophobicContact CD2-CB 4.04Å; L262-I293 HydrophobicContact CD2-CD1 4.45Å; L262-I293 HydrophobicContact CD2-CG1 3.76Å; L262-I293 HydrophobicContact CD2-CG2 3.73Å; L262-I293 HydrophobicContact CG-CG2 4.18Å; T290-I293 HydrophobicContact CG2-CD1 4.07Å; T290-I293 WeakPolarHBondContact O-CG1 3.47Å; I293-L295 HydrophobicContact CB-CG 4.45Å; I293-L295 HydrophobicContact CG2-CD2 3.46Å; I293-L295 VanDerWaalsContact CG2-CD2 3.46Å; I293-L295 HydrophobicContact CG2-CG 3.84Å; I293-F331 HydrophobicContact CD1-CE2 4.34Å; I293-F331 HydrophobicContact CD1-CZ 4.35Å
294	L	98.8	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	111.2	163.7	-61.3	-171.7	0	0	0	108.5	I232 L247 I250 F251 F254 I260 G261 L345	I232-L294 HydrophobicContact CB-CD2 4.36Å; I232-L294 HydrophobicContact CD1-CD2 4.47Å; I232-L294 HydrophobicContact CG1-CD2 3.63Å; I232-L294 HydrophobicContact CG2-CD2 4.35Å; L247-L294 HydrophobicContact CD1-CD1 4.24Å; L247-L294 HydrophobicContact CD1-CD2 3.97Å; L247-L294 HydrophobicContact CD1-CG 4.34Å; L247-L294 HydrophobicContact CG-CD2 3.98Å; I250-L294 HydrophobicContact CB-CD1 3.88Å; I250-L294 HydrophobicContact CG2-CD1 4Å; F251-L294 HydrophobicContact CD2-CD2 4.5Å; F251-L294 HydrophobicContact CE1-CB 3.82Å; F251-L294 HydrophobicContact CE2-CB 4.16Å; F251-L294 HydrophobicContact CE2-CD2 3.84Å; F251-L294 HydrophobicContact CE2-CG 4.42Å; F251-L294 HydrophobicContact CZ-CB 3.61Å; F251-L294 HydrophobicContact CZ-CD2 4.11Å; F251-L294 HydrophobicContact CZ-CG 4.35Å; F254-L294 HydrophobicContact CE1-CD1 4.1Å; F254-L294 HydrophobicContact CZ-CB 3.83Å; F254-L294 HydrophobicContact CZ-CD1 4.18Å; I260-L294 CarbonylContact C-O 3.12Å; I260-L294 VanDerWaalsContact CA-O 3.31Å; I260-L294 WeakPolarHBondContact CA-O 3.07Å; G261-L294 PolarHBondContact N-O 3.31Å; G261-L294 PolarHBondContact O-N 3.28Å; L294-L345 HydrophobicContact CD1-CD1 4.39Å; L294-L345 HydrophobicContact CD1-CD2 3.89Å; L294-L345 HydrophobicContact CG-CD1 4.24Å
295	L	98.8	Very high	97.5	Very high	4 Å²	4	32.5 Å²	32.5	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	121.3	177.9	-64.8	-176.9	0	0	0	110.8	L220 K230 V231 V233 I260 I293 L297 L300 F331	L220-L295 HydrophobicContact CB-CD1 4.3Å; L220-L295 HydrophobicContact CD1-CD1 3.8Å; K230-L295 CarbonylContact C-O 3.26Å; K230-L295 VanDerWaalsContact CA-O 3.23Å; K230-L295 WeakPolarHBondContact CA-O 3.27Å; V231-L295 HydrophobicContact CG1-CB 3.92Å; V231-L295 HydrophobicContact CG1-CD1 4.46Å; V231-L295 PolarHBondContact N-O 2.04Å; V231-L295 PolarHBondContact O-N 2.92Å; V233-L295 HydrophobicContact CG2-CD1 3.49Å; V233-L295 VanDerWaalsContact CG2-CD1 3.49Å; V233-L295 HydrophobicContact CG2-CG 3.81Å; I260-L295 HydrophobicContact CG1-CD2 3.9Å; I293-L295 HydrophobicContact CB-CG 4.45Å; I293-L295 HydrophobicContact CG2-CD2 3.46Å; I293-L295 VanDerWaalsContact CG2-CD2 3.46Å; I293-L295 HydrophobicContact CG2-CG 3.84Å; L295-L297 HydrophobicContact CB-CD2 4.02Å; L295-L297 HydrophobicContact CB-CG 4.47Å; L295-L297 HydrophobicContact CD1-CD2 4.25Å; L295-L297 PolarHBondContact O-N 3.13Å; L295-L300 HydrophobicContact CB-CD1 4.05Å; L295-L300 HydrophobicContact CD2-CD1 3.84Å; L295-L300 HydrophobicContact CG-CD1 4.41Å; L295-F331 HydrophobicContact CD2-CE1 4.41Å
296	Y	98.6	Very high	97.5	Very high	45 Å²	45	33 Å²	33	18%	0.176	15%	0.146	C	C	.	.			trans	-89.2	76.8	169.3	-143.3	-50.1	0	0	0	109	A229 F251 F254 V259 E298 R299 L300	A229-Y296 CarbonylContact O-C 3.39Å; A229-Y296 WeakPolarHBondContact O-CD1 3.18Å; F251-Y296 AromaticContact CD1-CD2 3.84Å; F251-Y296 HydrophobicContact CD1-CD2 3.84Å; F251-Y296 HydrophobicContact CD1-CE2 4.35Å; F251-Y296 HydrophobicContact CD1-CG 4.49Å; F251-Y296 HydrophobicContact CE1-CD2 4.32Å; F254-Y296 AromaticContact CD2-CD2 3.99Å; F254-Y296 HydrophobicContact CD2-CD2 3.99Å; V259-Y296 WeakPolarHBondContact O-CB 3.41Å; V259-Y296 PolarHBondContact O-N 3.49Å; Y296-E298 VanDerWaalsContact C-N 3.31Å; Y296-E298 HydrophobicContact CD1-CB 4.48Å; Y296-E298 PolarHBondContact O-N 3.38Å; Y296-R299 HydrophobicContact CD1-CB 4.41Å; Y296-R299 HydrophobicContact CD1-CG 3.8Å; Y296-R299 HydrophobicContact CE1-CG 4.22Å; Y296-R299 HydrophobicContact CG-CG 4.16Å; Y296-R299 PolarHBondContact O-N 2.86Å; Y296-L300 PolarHBondContact O-N 3.36Å
297	L	98.4	Very high	97.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-51.3	-43.8	-171.6	-63.2	176.2	0	0	0	113.7	T221 L224 L228 A229 V231 L295 R299 L300 R301	T221-L297 HydrophobicContact CG2-CD2 4.05Å; L224-L297 HydrophobicContact CB-CD1 4.26Å; L224-L297 HydrophobicContact CD1-CD1 3.76Å; L228-L297 HydrophobicContact CB-CD1 4.3Å; L228-L297 HydrophobicContact CD2-CD1 3.76Å; L228-L297 HydrophobicContact CG-CD1 3.87Å; L228-L297 WeakPolarHBondContact O-CB 3.2Å; A229-L297 PolarHBondContact O-N 3.35Å; V231-L297 HydrophobicContact CB-CD1 4.15Å; V231-L297 HydrophobicContact CG1-CD1 3.74Å; V231-L297 HydrophobicContact CG1-CD2 4.03Å; V231-L297 HydrophobicContact CG1-CG 3.87Å; L295-L297 HydrophobicContact CB-CD2 4.02Å; L295-L297 HydrophobicContact CB-CG 4.47Å; L295-L297 HydrophobicContact CD1-CD2 4.25Å; L295-L297 PolarHBondContact O-N 3.13Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 2.84Å; L297-L300 PolarHBondContact O-N 3.37Å; L297-R301 WeakPolarHBondContact O-CB 3.42Å; L297-R301 VanDerWaalsContact O-CG 3.3Å; L297-R301 WeakPolarHBondContact O-CG 3.47Å; L297-R301 PolarHBondContact O-N 3.26Å
298	E	97.8	Very high	97.6	Very high	71 Å²	71	37.8 Å²	37.8	33%	0.332	17%	0.171	S	C	.	.	H	α-helix	trans	-56.8	-45.3	178.8	-176.3	-169.5	163.6	0	0	111.5	A229 Y296 R302	A229-E298 HydrophobicContact CB-CB 4.32Å; A229-E298 PolarHBondContact O-N 3.16Å; Y296-E298 VanDerWaalsContact C-N 3.31Å; Y296-E298 HydrophobicContact CD1-CB 4.48Å; Y296-E298 PolarHBondContact O-N 3.38Å; E298-R302 WeakPolarHBondContact O-CG 3.23Å; E298-R302 PolarHBondContact O-N 2.96Å; E298-R302 IonicContact OE1-CZ 3.89Å; E298-R302 IonicContact OE1-NH1 3.02Å; E298-R302 PolarHBondContact OE1-NH1 3.28Å; E298-R302 IonicContact OE1-NH2 2.61Å; E298-R302 PolarHBondContact OE1-NH2 3.23Å
299	R	97.7	Very high	97.6	Very high	54 Å²	54	37.3 Å²	37.3	20%	0.204	17%	0.169	C	C	.	.	H	α-helix	trans	-72.9	-39	179.9	-61.3	-179.9	-178.1	-177.9	-5.6	111.6	T255 D256 Q258 V259 Y296 L297 R301 R302 I303	T255-R299 PolarHBondContact O-NH1 2.91Å; D256-R299 PolarHBondContact O-NH1 2.95Å; Q258-R299 PolarHBondContact O-NH1 2.75Å; V259-R299 HydrophobicContact CB-CB 4.26Å; V259-R299 HydrophobicContact CG1-CB 3.44Å; V259-R299 VanDerWaalsContact CG1-CB 3.44Å; V259-R299 HydrophobicContact CG1-CG 4.43Å; Y296-R299 HydrophobicContact CD1-CB 4.41Å; Y296-R299 HydrophobicContact CD1-CG 3.8Å; Y296-R299 HydrophobicContact CE1-CG 4.22Å; Y296-R299 HydrophobicContact CG-CG 4.16Å; Y296-R299 PolarHBondContact O-N 2.86Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 2.84Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 2.91Å; R299-R302 WeakPolarHBondContact O-CB 3.04Å; R299-R302 PolarHBondContact O-N 3.46Å; R299-I303 WeakPolarHBondContact O-CG1 3.34Å; R299-I303 PolarHBondContact O-N 3.12Å; R299-I303 VanDerWaalsContact O-N 3.17Å
300	L	97.9	Very high	97.6	Very high	1 Å²	1	40 Å²	40	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-58.9	-42.1	173.9	-76.7	167.1	0	0	0	112	T221 V259 I260 L295 Y296 L297 I303 S304 W305	T221-L300 HydrophobicContact CG2-CB 3.8Å; T221-L300 HydrophobicContact CG2-CD1 4.3Å; V259-L300 HydrophobicContact CB-CD2 4.06Å; V259-L300 HydrophobicContact CB-CG 4.07Å; V259-L300 HydrophobicContact CG2-CD2 3.64Å; V259-L300 HydrophobicContact CG2-CG 4.21Å; I260-L300 HydrophobicContact CD1-CD2 4.08Å; I260-L300 HydrophobicContact CG1-CD1 4.43Å; I260-L300 HydrophobicContact CG1-CD2 4.13Å; L295-L300 HydrophobicContact CB-CD1 4.05Å; L295-L300 HydrophobicContact CD2-CD1 3.84Å; L295-L300 HydrophobicContact CG-CD1 4.41Å; Y296-L300 PolarHBondContact O-N 3.36Å; L297-L300 PolarHBondContact O-N 3.37Å; L300-I303 HydrophobicContact CD2-CD1 4.36Å; L300-I303 VanDerWaalsContact O-CG1 3.32Å; L300-I303 WeakPolarHBondContact O-CG1 3.5Å; L300-I303 PolarHBondContact O-N 2.99Å; L300-S304 PolarHBondContact O-N 2.9Å; L300-W305 HydrophobicContact CB-CB 3.95Å; L300-W305 HydrophobicContact CB-CG 4.38Å; L300-W305 HydrophobicContact CD2-CB 4.09Å; L300-W305 HydrophobicContact CD2-CD2 3.87Å; L300-W305 HydrophobicContact CD2-CE3 3.78Å; L300-W305 HydrophobicContact CD2-CG 4.01Å; L300-W305 VanDerWaalsContact O-CB 3.27Å; L300-W305 WeakPolarHBondContact O-CB 3.44Å; L300-W305 PolarHBondContact O-N 2.81Å
301	R	97.7	Very high	97.5	Very high	63 Å²	63	44 Å²	44	24%	0.238	20%	0.199	C	C	.	.	H	α-helix	trans	-62.9	-42	174.8	-71	172.5	-174.8	135.6	3.9	111.6	T221 L224 P225 P226 L228 L297 R299 I303 S304	T221-R301 PolarHBondContact O-NE 3.2Å; T221-R301 PolarHBondContact O-NH2 3.19Å; L224-R301 PolarHBondContact O-NH2 3.36Å; L224-R301 VanDerWaalsContact O-NH2 3.13Å; P225-R301 PolarHBondContact O-NH1 3.12Å; P225-R301 PolarHBondContact O-NH2 2.92Å; P226-R301 VanDerWaalsContact C-NH1 3.35Å; P226-R301 PolarHBondContact O-NH1 3.31Å; L228-R301 PolarHBondContact O-NH1 2.72Å; L297-R301 WeakPolarHBondContact O-CB 3.42Å; L297-R301 VanDerWaalsContact O-CG 3.3Å; L297-R301 WeakPolarHBondContact O-CG 3.47Å; L297-R301 PolarHBondContact O-N 3.26Å; R299-R301 VanDerWaalsContact C-N 3.32Å; R299-R301 PolarHBondContact O-N 2.91Å; R301-I303 VanDerWaalsContact C-N 3.3Å; R301-I303 PolarHBondContact O-N 3.16Å; R301-S304 PolarHBondContact O-N 3.07Å; R301-S304 VanDerWaalsContact O-N 3.09Å
302	R	96.8	Very high	97.6	Very high	178 Å²	178	44.1 Å²	44.1	67%	0.672	20%	0.2	S	C	*	.	H	α-helix	trans	-61.7	-33.6	177.9	-75.1	177.2	177.5	156.7	6.4	114	E298 R299 S304	E298-R302 WeakPolarHBondContact O-CG 3.23Å; E298-R302 PolarHBondContact O-N 2.96Å; E298-R302 IonicContact OE1-CZ 3.89Å; E298-R302 IonicContact OE1-NH1 3.02Å; E298-R302 PolarHBondContact OE1-NH1 3.28Å; E298-R302 IonicContact OE1-NH2 2.61Å; E298-R302 PolarHBondContact OE1-NH2 3.23Å; R299-R302 WeakPolarHBondContact O-CB 3.04Å; R299-R302 PolarHBondContact O-N 3.46Å; R302-S304 VanDerWaalsContact C-N 3.28Å
303	I	95.9	Very high	97.5	Very high	58 Å²	58	44.1 Å²	44.1	30%	0.297	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	12.5	177.9	65	178.6	0	0	0	112.6	V259 R299 L300 R301 W305 M308 L341	V259-I303 HydrophobicContact CG1-CD1 4.3Å; V259-I303 HydrophobicContact CG2-CD1 4.05Å; R299-I303 WeakPolarHBondContact O-CG1 3.34Å; R299-I303 PolarHBondContact O-N 3.12Å; R299-I303 VanDerWaalsContact O-N 3.17Å; L300-I303 HydrophobicContact CD2-CD1 4.36Å; L300-I303 VanDerWaalsContact O-CG1 3.32Å; L300-I303 WeakPolarHBondContact O-CG1 3.5Å; L300-I303 PolarHBondContact O-N 2.99Å; R301-I303 VanDerWaalsContact C-N 3.3Å; R301-I303 PolarHBondContact O-N 3.16Å; I303-W305 PolarHBondContact O-N 2.86Å; I303-M308 HydrophobicContact CB-CE 3.95Å; I303-M308 HydrophobicContact CD1-CE 3.48Å; I303-M308 VanDerWaalsContact CD1-CE 3.48Å; I303-M308 HydrophobicContact CG1-CE 3.42Å; I303-M308 VanDerWaalsContact CG1-CE 3.42Å; I303-M308 VanDerWaalsContact O-CE 3.23Å; I303-M308 WeakPolarHBondContact O-CE 3.49Å; I303-M308 VanDerWaalsContact O-SD 3.32Å; I303-L341 HydrophobicContact CD1-CD1 4.07Å
304	S	96.6	Very high	97.5	Very high	63 Å²	63	49 Å²	49	44%	0.441	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.3	49.2	-179.5	-58.4	0	0	0	0	113	L300 R301 R302 E306 Q307 M308	L300-S304 PolarHBondContact O-N 2.9Å; R301-S304 PolarHBondContact O-N 3.07Å; R301-S304 VanDerWaalsContact O-N 3.09Å; R302-S304 VanDerWaalsContact C-N 3.28Å; S304-E306 PolarHBondContact O-N 2.85Å; S304-Q307 PolarHBondContact O-N 3.03Å; S304-M308 PolarHBondContact O-N 3.13Å; S304-M308 VanDerWaalsContact O-N 3.16Å
305	W	96.8	Very high	97.4	Very high	6 Å²	6	55 Å²	55	2%	0.023	25%	0.246	C	C	.	.	H	α-helix	trans	-41.4	-47	-179.4	170.3	-112.5	0	0	0	113.6	L218 T221 I260 L300 I303 Q307 M308 W309 F331 F334	L218-W305 HydrophobicContact CD2-CZ2 4.09Å; L218-W305 PolarHBondContact O-NE1 3.47Å; T221-W305 HydrophobicContact CG2-CB 4.27Å; T221-W305 HydrophobicContact CG2-CG 4.17Å; I260-W305 HydrophobicContact CD1-CH2 4.25Å; I260-W305 HydrophobicContact CD1-CZ3 4.12Å; L300-W305 HydrophobicContact CB-CB 3.95Å; L300-W305 HydrophobicContact CB-CG 4.38Å; L300-W305 HydrophobicContact CD2-CB 4.09Å; L300-W305 HydrophobicContact CD2-CD2 3.87Å; L300-W305 HydrophobicContact CD2-CE3 3.78Å; L300-W305 HydrophobicContact CD2-CG 4.01Å; L300-W305 VanDerWaalsContact O-CB 3.27Å; L300-W305 WeakPolarHBondContact O-CB 3.44Å; L300-W305 PolarHBondContact O-N 2.81Å; I303-W305 PolarHBondContact O-N 2.86Å; W305-Q307 PolarHBondContact O-N 3.11Å; W305-M308 HydrophobicContact CE3-CE 4.18Å; W305-M308 PolarHBondContact O-N 3.22Å; W305-M308 VanDerWaalsContact O-N 3.12Å; W305-W309 AromaticContact CD1-CD1 3.67Å; W305-W309 AromaticContact CD2-CD1 3.91Å; W305-W309 AromaticContact CE2-CD1 3.5Å; W305-W309 VanDerWaalsContact CE2-CD1 3.5Å; W305-W309 HydrophobicContact CH2-CB 4.01Å; W305-W309 HydrophobicContact CZ2-CB 3.94Å; W305-W309 AromaticContact CZ2-CD1 3.99Å; W305-W309 HydrophobicContact CZ2-CG 4.23Å; W305-W309 HydrophobicContact CZ3-CB 4.32Å; W305-W309 AromaticContact NE1-CD1 3.33Å; W305-W309 VanDerWaalsContact NE1-CD1 3.33Å; W305-W309 AromaticContact NE1-NE1 3.86Å; W305-W309 PolarHBondContact O-N 3.29Å; W305-F331 AromaticContact CH2-CD1 3.8Å; W305-F331 HydrophobicContact CH2-CD1 3.8Å; W305-F331 AromaticContact CH2-CE1 3.65Å; W305-F331 HydrophobicContact CH2-CE1 3.65Å; W305-F331 HydrophobicContact CH2-CZ 4.33Å; W305-F331 HydrophobicContact CZ2-CD1 4.05Å; W305-F331 AromaticContact CZ2-CE1 3.5Å; W305-F331 HydrophobicContact CZ2-CE1 3.5Å; W305-F331 VanDerWaalsContact CZ2-CE1 3.5Å; W305-F331 HydrophobicContact CZ2-CE2 4.45Å; W305-F331 AromaticContact CZ2-CZ 3.73Å; W305-F331 HydrophobicContact CZ2-CZ 3.73Å; W305-F334 HydrophobicContact CE3-CE1 4.31Å; W305-F334 HydrophobicContact CE3-CE2 4.42Å; W305-F334 HydrophobicContact CE3-CZ 4.21Å; W305-F334 HydrophobicContact CH2-CD1 4.12Å; W305-F334 HydrophobicContact CH2-CG 4.22Å; W305-F334 HydrophobicContact CZ3-CB 4.5Å; W305-F334 AromaticContact CZ3-CD1 3.52Å; W305-F334 HydrophobicContact CZ3-CD1 3.52Å; W305-F334 AromaticContact CZ3-CD2 3.96Å; W305-F334 HydrophobicContact CZ3-CD2 3.96Å; W305-F334 AromaticContact CZ3-CE1 3.59Å; W305-F334 HydrophobicContact CZ3-CE1 3.59Å; W305-F334 HydrophobicContact CZ3-CE2 4.03Å; W305-F334 AromaticContact CZ3-CG 3.7Å; W305-F334 HydrophobicContact CZ3-CG 3.7Å; W305-F334 AromaticContact CZ3-CZ 3.84Å; W305-F334 HydrophobicContact CZ3-CZ 3.84Å
306	E	95.6	Very high	97.3	Very high	64 Å²	64	56.1 Å²	56.1	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-54.5	-49.4	-179.2	-168.7	-170.6	140.5	0	0	112.8	S304 M308 R310	S304-E306 PolarHBondContact O-N 2.85Å; E306-M308 VanDerWaalsContact C-N 3.34Å; E306-R310 WeakPolarHBondContact O-CB 3.44Å; E306-R310 WeakPolarHBondContact O-CG 3.41Å; E306-R310 PolarHBondContact O-N 3.14Å; E306-R310 IonicContact OE1-CZ 3.4Å; E306-R310 IonicContact OE1-NH1 2.62Å; E306-R310 PolarHBondContact OE1-NH1 3.03Å
307	Q	96.9	Very high	97.2	Very high	123 Å²	123	55.1 Å²	55.1	58%	0.575	25%	0.249	S	C	*	.	H	α-helix	trans	-65.9	-40.5	178.9	-173.4	-179.8	7.6	0	0	111	S304 W305 L311	S304-Q307 PolarHBondContact O-N 3.03Å; W305-Q307 PolarHBondContact O-N 3.11Å; Q307-L311 HydrophobicContact CG-CD1 4.04Å; Q307-L311 WeakPolarHBondContact O-CB 3.46Å; Q307-L311 VanDerWaalsContact O-CG 3.28Å; Q307-L311 WeakPolarHBondContact O-CG 3.29Å; Q307-L311 PolarHBondContact O-N 3.18Å
308	M	96.8	Very high	97	Very high	43 Å²	43	62.6 Å²	62.6	21%	0.212	29%	0.285	C	S	.	.	H	α-helix	trans	-67.8	-46.7	-175.9	-67.5	-164.8	-59.4	0	0	113.3	I303 S304 W305 E306 R310 L311 T312 F334	I303-M308 HydrophobicContact CB-CE 3.95Å; I303-M308 HydrophobicContact CD1-CE 3.48Å; I303-M308 VanDerWaalsContact CD1-CE 3.48Å; I303-M308 HydrophobicContact CG1-CE 3.42Å; I303-M308 VanDerWaalsContact CG1-CE 3.42Å; I303-M308 VanDerWaalsContact O-CE 3.23Å; I303-M308 WeakPolarHBondContact O-CE 3.49Å; I303-M308 VanDerWaalsContact O-SD 3.32Å; S304-M308 PolarHBondContact O-N 3.13Å; S304-M308 VanDerWaalsContact O-N 3.16Å; W305-M308 HydrophobicContact CE3-CE 4.18Å; W305-M308 PolarHBondContact O-N 3.22Å; W305-M308 VanDerWaalsContact O-N 3.12Å; E306-M308 VanDerWaalsContact C-N 3.34Å; M308-R310 VanDerWaalsContact C-N 3.32Å; M308-L311 PolarHBondContact O-N 2.57Å; M308-T312 WeakPolarHBondContact O-CB 3.3Å; M308-T312 PolarHBondContact O-N 3.39Å; M308-T312 PolarHBondContact O-OG1 3.1Å; M308-F334 HydrophobicContact CB-CD2 4.25Å; M308-F334 HydrophobicContact CB-CE2 3.78Å; M308-F334 HydrophobicContact CE-CE2 3.6Å; M308-F334 HydrophobicContact CE-CZ 3.6Å; M308-F334 HydrophobicContact CG-CE2 4.41Å; M308-F334 HydrophobicContact SD-CE2 3.76Å; M308-F334 HydrophobicContact SD-CZ 4.16Å
309	W	97.3	Very high	96.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-69.1	-34.8	179.4	75.5	-110.7	0	0	0	110.8	E200 V201 W203 I204 L218 W305 T312 A313 I330	E200-W309 WeakPolarHBondContact O-CH2 3.47Å; V201-W309 HydrophobicContact CG1-CH2 4.06Å; W203-W309 HydrophobicContact CZ2-CH2 4.4Å; W203-W309 AromaticContact CZ2-CZ3 3.93Å; W203-W309 HydrophobicContact CZ2-CZ3 3.93Å; I204-W309 HydrophobicContact CD1-CH2 4.33Å; I204-W309 HydrophobicContact CD1-CZ3 3.73Å; L218-W309 HydrophobicContact CB-CD2 4.11Å; L218-W309 HydrophobicContact CB-CE3 4.48Å; L218-W309 HydrophobicContact CB-CZ2 4.16Å; L218-W309 HydrophobicContact CD1-CD2 4.33Å; L218-W309 HydrophobicContact CD1-CE3 3.93Å; L218-W309 HydrophobicContact CD1-CZ3 4.08Å; L218-W309 HydrophobicContact CD2-CB 4.49Å; L218-W309 HydrophobicContact CD2-CD2 4.36Å; L218-W309 HydrophobicContact CD2-CG 4.3Å; L218-W309 PolarHBondContact O-NE1 3.3Å; W305-W309 AromaticContact CD1-CD1 3.67Å; W305-W309 AromaticContact CD2-CD1 3.91Å; W305-W309 AromaticContact CE2-CD1 3.5Å; W305-W309 VanDerWaalsContact CE2-CD1 3.5Å; W305-W309 HydrophobicContact CH2-CB 4.01Å; W305-W309 HydrophobicContact CZ2-CB 3.94Å; W305-W309 AromaticContact CZ2-CD1 3.99Å; W305-W309 HydrophobicContact CZ2-CG 4.23Å; W305-W309 HydrophobicContact CZ3-CB 4.32Å; W305-W309 AromaticContact NE1-CD1 3.33Å; W305-W309 VanDerWaalsContact NE1-CD1 3.33Å; W305-W309 AromaticContact NE1-NE1 3.86Å; W305-W309 PolarHBondContact O-N 3.29Å; W309-T312 PolarHBondContact O-N 3.09Å; W309-A313 HydrophobicContact CE3-CB 4.48Å; W309-A313 WeakPolarHBondContact O-CB 3.35Å; W309-A313 PolarHBondContact O-N 3.02Å; W309-I330 HydrophobicContact CB-CG2 4.04Å; W309-I330 HydrophobicContact CE3-CG2 4.32Å
310	R	98.1	Very high	96.4	Very high	65 Å²	65	60.8 Å²	60.8	25%	0.245	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-52.8	173.2	-85.2	-177.1	145.5	148.7	-0.6	111.6	E200 W203 E306 M308 T312 A313 E314	E200-R310 PolarHBondContact O-NH2 2.95Å; E200-R310 IonicContact OE2-CZ 3.89Å; E200-R310 IonicContact OE2-NH1 3.9Å; E200-R310 PolarHBondContact OE2-NH1 3.19Å; E200-R310 IonicContact OE2-NH2 2.8Å; E200-R310 PolarHBondContact OE2-NH2 3.4Å; W203-R310 HydrophobicContact CZ2-CG 4.14Å; E306-R310 WeakPolarHBondContact O-CB 3.44Å; E306-R310 WeakPolarHBondContact O-CG 3.41Å; E306-R310 PolarHBondContact O-N 3.14Å; E306-R310 IonicContact OE1-CZ 3.4Å; E306-R310 IonicContact OE1-NH1 2.62Å; E306-R310 PolarHBondContact OE1-NH1 3.03Å; M308-R310 VanDerWaalsContact C-N 3.32Å; R310-T312 PolarHBondContact O-N 2.75Å; R310-A313 PolarHBondContact O-N 2.93Å; R310-A313 VanDerWaalsContact O-N 3.11Å; R310-E314 WeakPolarHBondContact O-CG 3.35Å; R310-E314 PolarHBondContact O-N 3.16Å
311	L	97.7	Very high	96.1	Very high	85 Å²	85	67.2 Å²	67.2	45%	0.445	32%	0.32	S	S	.	.	H	α-helix	trans	-60.5	-35.6	178.4	-72.5	172.4	0	0	0	112.4	Q307 M308 R315	Q307-L311 HydrophobicContact CG-CD1 4.04Å; Q307-L311 WeakPolarHBondContact O-CB 3.46Å; Q307-L311 VanDerWaalsContact O-CG 3.28Å; Q307-L311 WeakPolarHBondContact O-CG 3.29Å; Q307-L311 PolarHBondContact O-N 3.18Å; M308-L311 PolarHBondContact O-N 2.57Å; L311-R315 VanDerWaalsContact O-CB 3.3Å; L311-R315 WeakPolarHBondContact O-CB 3.27Å; L311-R315 PolarHBondContact O-N 3.13Å; L311-R315 VanDerWaalsContact O-N 3.15Å
312	T	97.8	Very high	96	Very high	4 Å²	4	64.6 Å²	64.6	3%	0.025	31%	0.312	C	S	.	.	H	α-helix	trans	-66.7	-47.7	174.4	-62.2	0	0	0	0	110.8	M308 W309 R310 R315 E316 A333 F334	M308-T312 WeakPolarHBondContact O-CB 3.3Å; M308-T312 PolarHBondContact O-N 3.39Å; M308-T312 PolarHBondContact O-OG1 3.1Å; W309-T312 PolarHBondContact O-N 3.09Å; R310-T312 PolarHBondContact O-N 2.75Å; T312-R315 PolarHBondContact O-N 3.33Å; T312-E316 HydrophobicContact CG2-CG 4.46Å; T312-E316 WeakPolarHBondContact O-CG 3.49Å; T312-E316 PolarHBondContact O-N 2.9Å; T312-A333 HydrophobicContact CG2-CB 3.62Å; T312-F334 HydrophobicContact CG2-CB 4.33Å
313	A	97.8	Very high	96	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-48.7	179.4	0	0	0	0	0	111.8	W203 W309 R310 R315 E316 L317 I330	W203-A313 HydrophobicContact CH2-CB 3.81Å; W309-A313 HydrophobicContact CE3-CB 4.48Å; W309-A313 WeakPolarHBondContact O-CB 3.35Å; W309-A313 PolarHBondContact O-N 3.02Å; R310-A313 PolarHBondContact O-N 2.93Å; R310-A313 VanDerWaalsContact O-N 3.11Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 3.13Å; A313-E316 PolarHBondContact O-N 3.26Å; A313-L317 VanDerWaalsContact O-CB 3.25Å; A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CD1 3.26Å; A313-L317 WeakPolarHBondContact O-CG 3.31Å; A313-L317 PolarHBondContact O-N 3.4Å; A313-I330 HydrophobicContact CB-CD1 3.81Å; A313-I330 HydrophobicContact CB-CG1 4.04Å; A313-I330 HydrophobicContact CB-CG2 4.36Å
314	E	97.3	Very high	95.9	Very high	102 Å²	102	55.5 Å²	55.5	48%	0.477	28%	0.28	S	S	.	.	H	α-helix	trans	-55.5	-45.7	176.1	-72	176.9	162.1	0	0	111.9	W203 R310	W203-E314 HydrophobicContact CH2-CG 3.73Å; W203-E314 HydrophobicContact CZ3-CG 3.84Å; R310-E314 WeakPolarHBondContact O-CG 3.35Å; R310-E314 PolarHBondContact O-N 3.16Å
315	R	97	Very high	95.8	Very high	125 Å²	125	54.5 Å²	54.5	47%	0.472	27%	0.27	S	S	.	.	H	α-helix	trans	-61.2	-50.9	179.8	-174.6	-172.2	-57.8	160.5	6	112.2	L311 T312 A313 M318 Q337	L311-R315 VanDerWaalsContact O-CB 3.3Å; L311-R315 WeakPolarHBondContact O-CB 3.27Å; L311-R315 PolarHBondContact O-N 3.13Å; L311-R315 VanDerWaalsContact O-N 3.15Å; T312-R315 PolarHBondContact O-N 3.33Å; A313-R315 VanDerWaalsContact C-N 3.31Å; A313-R315 PolarHBondContact O-N 3.13Å; R315-M318 HydrophobicContact CG-CE 4.29Å; R315-M318 PolarHBondContact O-N 3.26Å; R315-Q337 VanDerWaalsContact NH1-CD 3.25Å; R315-Q337 VanDerWaalsContact NH1-NE2 3.16Å
316	E	96.9	Very high	95.7	Very high	29 Å²	29	54.2 Å²	54.2	14%	0.136	27%	0.269	C	S	.	.	H	α-helix	trans	-73.8	-32.1	-174.7	-62.8	-52.7	147.7	0	0	112.1	W281 P282 T312 A313 M318 S319 M320 A333	W281-E316 HydrophobicContact CE3-CB 3.82Å; W281-E316 HydrophobicContact CE3-CG 4.29Å; W281-E316 HydrophobicContact CH2-CB 3.9Å; W281-E316 HydrophobicContact CZ3-CB 3.36Å; W281-E316 HydrophobicContact CZ3-CG 4.08Å; P282-E316 HydrophobicContact CG-CG 4.24Å; P282-E316 WeakPolarHBondContact CG-OE2 3.34Å; T312-E316 HydrophobicContact CG2-CG 4.46Å; T312-E316 WeakPolarHBondContact O-CG 3.49Å; T312-E316 PolarHBondContact O-N 2.9Å; A313-E316 PolarHBondContact O-N 3.26Å; E316-M318 PolarHBondContact O-N 2.97Å; E316-S319 PolarHBondContact O-N 2.86Å; E316-S319 PolarHBondContact O-OG 2.9Å; E316-M320 WeakPolarHBondContact O-CB 3.3Å; E316-M320 WeakPolarHBondContact O-CG 3.34Å; E316-M320 PolarHBondContact O-N 3.33Å; E316-A333 HydrophobicContact CG-CB 4.03Å
317	L	96.7	Very high	95.8	Very high	24 Å²	24	51.6 Å²	51.6	13%	0.126	26%	0.257	C	S	.	.	H	α-helix	trans	-61.7	-27.2	177.2	-77.9	170	0	0	0	113.2	W203 I204 W281 A313 S319 L321	W203-L317 HydrophobicContact CE3-CD1 4.46Å; W203-L317 HydrophobicContact CH2-CD1 4.49Å; W203-L317 HydrophobicContact CZ3-CD1 3.75Å; I204-L317 HydrophobicContact CG2-CD1 4.3Å; W281-L317 HydrophobicContact CH2-CD2 4.01Å; W281-L317 HydrophobicContact CH2-CG 4.03Å; W281-L317 HydrophobicContact CZ2-CD2 3.91Å; W281-L317 HydrophobicContact CZ2-CG 4.42Å; A313-L317 VanDerWaalsContact O-CB 3.25Å; A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CD1 3.26Å; A313-L317 WeakPolarHBondContact O-CG 3.31Å; A313-L317 PolarHBondContact O-N 3.4Å; L317-S319 PolarHBondContact O-N 3.04Å; L317-S319 VanDerWaalsContact O-N 3.15Å; L317-L321 WeakPolarHBondContact O-CA 3.41Å; L317-L321 PolarHBondContact O-N 3.43Å
318	M	93.6	Very high	95.9	Very high	156 Å²	156	46.2 Å²	46.2	77%	0.768	23%	0.232	S	C	*	.	H	α-helix	trans	-57	-27.8	172.1	-68.4	-168.5	-81.2	0	0	112.9	R315 E316	R315-M318 HydrophobicContact CG-CE 4.29Å; R315-M318 PolarHBondContact O-N 3.26Å; E316-M318 PolarHBondContact O-N 2.97Å
319	S	91.8	Very high	95.9	Very high	62 Å²	62	44.2 Å²	44.2	43%	0.434	22%	0.222	S	C	.	.	H	α-helix	trans	-114.4	-23.3	-177	83.9	0	0	0	0	114.7	K279 E316 L317	K279-S319 PolarHBondContact NZ-O 3.2Å; K279-S319 VanDerWaalsContact NZ-O 3.09Å; E316-S319 PolarHBondContact O-N 2.86Å; E316-S319 PolarHBondContact O-OG 2.9Å; L317-S319 PolarHBondContact O-N 3.04Å; L317-S319 VanDerWaalsContact O-N 3.15Å
320	M	91.1	Very high	95.9	Very high	25 Å²	25	44.2 Å²	44.2	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-100.6	-18.6	-175.9	-61.8	-56.4	-70.7	0	0	113.3	K279 P280 W281 E316 S322	K279-M320 HydrophobicContact CD-CE 4.49Å; K279-M320 HydrophobicContact CD-SD 3.92Å; K279-M320 VanDerWaalsContact CE-SD 3.59Å; K279-M320 HydrophobicContact CG-CE 4.22Å; K279-M320 HydrophobicContact CG-SD 4.15Å; K279-M320 VanDerWaalsContact O-CE 3.3Å; K279-M320 WeakPolarHBondContact O-CE 3.25Å; P280-M320 VanDerWaalsContact C-CE 3.47Å; P280-M320 WeakPolarHBondContact O-CE 3.3Å; W281-M320 HydrophobicContact CB-CE 4.45Å; W281-M320 VanDerWaalsContact CD1-CE 3.44Å; W281-M320 HydrophobicContact CD2-CB 4.38Å; W281-M320 HydrophobicContact CD2-CG 4.14Å; W281-M320 HydrophobicContact CG-CE 3.93Å; W281-M320 HydrophobicContact CG-CG 4.34Å; W281-M320 HydrophobicContact CZ2-CB 3.85Å; W281-M320 HydrophobicContact CZ2-CG 4.41Å; E316-M320 WeakPolarHBondContact O-CB 3.3Å; E316-M320 WeakPolarHBondContact O-CG 3.34Å; E316-M320 PolarHBondContact O-N 3.33Å; M320-S322 PolarHBondContact O-N 3.01Å
321	L	91.7	Very high	96	Very high	136 Å²	136	41.1 Å²	41.1	71%	0.712	21%	0.21	S	C	*	.			trans	65.1	-31.6	-178.8	-51.8	173.8	0	0	0	116	L317	L317-L321 WeakPolarHBondContact O-CA 3.41Å; L317-L321 PolarHBondContact O-N 3.43Å
322	S	95.6	Very high	96	Very high	9 Å²	9	37.1 Å²	37.1	6%	0.063	19%	0.189	C	C	.	.	S	Bend	trans	-161.2	152.2	-179.4	60.2	0	0	0	0	112.1	P205 K207 W281 M320	P205-S322 CarbonylContact O-C 3.47Å; P205-S322 WeakPolarHBondContact O-CA 3.48Å; P205-S322 WeakPolarHBondContact O-CB 3.46Å; K207-S322 WeakPolarHBondContact CD-OG 3.31Å; K207-S322 WeakPolarHBondContact CE-OG 3.15Å; K207-S322 PolarHBondContact NZ-OG 2.9Å; K207-S322 VanDerWaalsContact NZ-OG 3.1Å; W281-S322 PolarHBondContact NE1-O 3.15Å; M320-S322 PolarHBondContact O-N 3.01Å
323	T	96.4	Very high	96	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.188	C	C	.	.	B	Isolated β-bridge	trans	-71.6	146.2	164.9	57.8	0	0	0	0	110.7	I204 P205 N206 K207 W281 D329 I330	I204-T323 HydrophobicContact CG2-CG2 3.92Å; P205-T323 PolarHBondContact O-N 2.91Å; P205-T323 PolarHBondContact O-OG1 3.19Å; N206-T323 WeakPolarHBondContact CA-OG1 3.37Å; N206-T323 WeakPolarHBondContact CB-OG1 3.44Å; N206-T323 VanDerWaalsContact CG-OG1 3.3Å; N206-T323 PolarHBondContact OD1-O 3.05Å; N206-T323 PolarHBondContact OD1-OG1 3.46Å; K207-T323 PolarHBondContact N-O 3.16Å; W281-T323 HydrophobicContact CH2-CG2 3.85Å; W281-T323 HydrophobicContact CZ2-CG2 3.6Å; T323-D329 HydrophobicContact CG2-CB 4.32Å; T323-I330 HydrophobicContact CG2-CD1 4.06Å; T323-I330 HydrophobicContact CG2-CG1 4.14Å
324	S	93.8	Very high	96	Very high	45 Å²	45	37 Å²	37	32%	0.315	19%	0.188	S	C	.	.	S	Bend	trans	-107.4	-37.9	174.4	-60	0	0	0	0	111.8	D329	S324-D329 PolarHBondContact N-OD2 3.24Å
325	L	94.4	Very high	96.1	Very high	41 Å²	41	32.2 Å²	32.2	22%	0.215	17%	0.166	C	C	.	.	S	Bend	trans	-111.2	34.3	176.8	-57.7	-176	0	0	0	111.8	W269 Y270 D327 Q328 D329	W269-L325 HydrophobicContact CD2-CD1 3.93Å; W269-L325 HydrophobicContact CG-CD1 3.91Å; W269-L325 HydrophobicContact CZ2-CD1 4.2Å; W269-L325 HydrophobicContact CZ2-CD2 4.22Å; W269-L325 HydrophobicContact CZ2-CG 3.97Å; W269-L325 VanDerWaalsContact NE1-CD1 3.28Å; Y270-L325 HydrophobicContact CE2-CD1 4.49Å; L325-D327 PolarHBondContact O-N 3.48Å; L325-Q328 HydrophobicContact CB-CB 4.02Å; L325-Q328 WeakPolarHBondContact O-CB 3.39Å; L325-Q328 PolarHBondContact O-N 2.83Å; L325-D329 PolarHBondContact N-OD2 3.48Å
326	A	96.3	Very high	96.1	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.008	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	-124	176.4	0	0	0	0	0	113.8	H208 G214 L215 Q328 D329	H208-A326 HydrophobicContact CB-CB 3.81Å; G214-A326 WeakPolarHBondContact O-CB 3.12Å; L215-A326 HydrophobicContact CD2-CB 4.09Å; L215-A326 HydrophobicContact CG-CB 4.35Å; A326-Q328 PolarHBondContact O-N 3.43Å; A326-D329 PolarHBondContact O-N 3.28Å
327	D	97.2	Very high	96.1	Very high	8 Å²	8	33.4 Å²	33.4	4%	0.043	18%	0.175	C	C	.	.	H	α-helix	trans	-58.1	-35.1	-179.9	67.2	-47.9	0	0	0	112.5	G214 K217 L218 T290 L325 D329 I330 F331	G214-D327 VanDerWaalsContact O-CB 3.28Å; G214-D327 WeakPolarHBondContact O-CB 3.49Å; G214-D327 VanDerWaalsContact O-CG 3.29Å; G214-D327 PolarHBondContact O-N 3.49Å; K217-D327 HydrophobicContact CB-CB 4.35Å; K217-D327 WeakPolarHBondContact CD-OD2 3.34Å; K217-D327 IonicContact NZ-OD2 2.81Å; L218-D327 HydrophobicContact CD1-CB 4.47Å; L218-D327 HydrophobicContact CD2-CB 4.39Å; L218-D327 HydrophobicContact CG-CB 4.06Å; T290-D327 VanDerWaalsContact CB-OD2 3.32Å; T290-D327 WeakPolarHBondContact CB-OD2 3.27Å; T290-D327 PolarHBondContact OG1-OD1 3.48Å; T290-D327 PolarHBondContact OG1-OD2 3.49Å; T290-D327 VanDerWaalsContact OG1-OD2 3.11Å; L325-D327 PolarHBondContact O-N 3.48Å; D327-D329 PolarHBondContact O-N 3.22Å; D327-I330 PolarHBondContact O-N 2.93Å; D327-F331 HydrophobicContact CB-CD2 4.18Å; D327-F331 HydrophobicContact CB-CE2 4.31Å; D327-F331 WeakPolarHBondContact O-CD2 2.74Å; D327-F331 PolarHBondContact O-N 2.74Å
328	Q	97.8	Very high	96.1	Very high	11 Å²	11	34.7 Å²	34.7	5%	0.051	18%	0.182	C	C	.	.	H	α-helix	trans	-56.8	-39.3	-177.6	-161.9	-177.7	-89.4	0	0	111.9	Y270 F288 N289 T290 L325 A326 N332	Y270-Q328 PolarHBondContact OH-NE2 2.95Å; Y270-Q328 VanDerWaalsContact OH-NE2 3.1Å; F288-Q328 WeakPolarHBondContact O-CG 3.35Å; N289-Q328 VanDerWaalsContact CA-OE1 3.3Å; N289-Q328 PolarHBondContact ND2-OE1 3.39Å; T290-Q328 HydrophobicContact CG2-CB 4.11Å; T290-Q328 HydrophobicContact CG2-CG 3.98Å; T290-Q328 WeakPolarHBondContact OG1-CB 3.39Å; L325-Q328 HydrophobicContact CB-CB 4.02Å; L325-Q328 WeakPolarHBondContact O-CB 3.39Å; L325-Q328 PolarHBondContact O-N 2.83Å; A326-Q328 PolarHBondContact O-N 3.43Å; Q328-N332 WeakPolarHBondContact O-CB 3.36Å; Q328-N332 PolarHBondContact O-N 3.26Å; Q328-N332 PolarHBondContact O-ND2 3.4Å
329	D	97.9	Very high	96.2	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-65.3	-40.6	178.5	-75.7	-19.4	0	0	0	111.9	Y270 W281 T323 S324 L325 A326 D327 A333	Y270-D329 VanDerWaalsContact CE1-OD1 3.32Å; Y270-D329 WeakPolarHBondContact CE1-OD1 3.38Å; Y270-D329 PolarHBondContact OH-OD1 2.72Å; W281-D329 HydrophobicContact CB-CB 3.98Å; W281-D329 HydrophobicContact CD2-CB 3.64Å; W281-D329 HydrophobicContact CE3-CB 3.96Å; W281-D329 HydrophobicContact CG-CB 3.63Å; T323-D329 HydrophobicContact CG2-CB 4.32Å; S324-D329 PolarHBondContact N-OD2 3.24Å; L325-D329 PolarHBondContact N-OD2 3.48Å; A326-D329 PolarHBondContact O-N 3.28Å; D327-D329 PolarHBondContact O-N 3.22Å; D329-A333 WeakPolarHBondContact O-CB 3.04Å; D329-A333 PolarHBondContact O-N 2.88Å
330	I	98.2	Very high	96.5	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-73.4	-42.5	-179.7	-65.8	167.2	0	0	0	110.7	I204 L215 L218 W281 W309 A313 T323 D327 N332 A333 F334	I204-I330 HydrophobicContact CD1-CD1 3.91Å; I204-I330 HydrophobicContact CG2-CD1 4.25Å; L215-I330 HydrophobicContact CD2-CD1 4.29Å; L218-I330 HydrophobicContact CD1-CB 4.34Å; L218-I330 HydrophobicContact CD1-CD1 3.66Å; L218-I330 HydrophobicContact CD1-CG2 4.29Å; L218-I330 HydrophobicContact CD2-CB 4.29Å; L218-I330 HydrophobicContact CD2-CG2 3.95Å; W281-I330 HydrophobicContact CH2-CG1 4.47Å; W281-I330 HydrophobicContact CZ3-CG1 4.19Å; W309-I330 HydrophobicContact CB-CG2 4.04Å; W309-I330 HydrophobicContact CE3-CG2 4.32Å; A313-I330 HydrophobicContact CB-CD1 3.81Å; A313-I330 HydrophobicContact CB-CG1 4.04Å; A313-I330 HydrophobicContact CB-CG2 4.36Å; T323-I330 HydrophobicContact CG2-CD1 4.06Å; T323-I330 HydrophobicContact CG2-CG1 4.14Å; D327-I330 PolarHBondContact O-N 2.93Å; I330-N332 VanDerWaalsContact C-N 3.32Å; I330-N332 PolarHBondContact O-N 2.86Å; I330-A333 PolarHBondContact O-N 3.28Å; I330-F334 WeakPolarHBondContact O-CB 3.05Å; I330-F334 PolarHBondContact O-N 3.42Å
331	F	98.4	Very high	96.8	Very high	1 Å²	1	32 Å²	32	0%	0.004	17%	0.174	C	C	.	.	H	α-helix	trans	-56.4	-47.4	172.6	-90.1	-77.7	0	0	0	111.2	K217 L218 I260 T290 I293 L295 W305 D327 F334 I335	K217-F331 HydrophobicContact CB-CE2 4.5Å; L218-F331 HydrophobicContact CD2-CD2 3.95Å; L218-F331 HydrophobicContact CD2-CE2 3.75Å; L218-F331 HydrophobicContact CD2-CZ 4.37Å; I260-F331 HydrophobicContact CD1-CD1 4.19Å; I260-F331 HydrophobicContact CD1-CE1 4.01Å; T290-F331 HydrophobicContact CG2-CB 4.01Å; T290-F331 HydrophobicContact CG2-CD2 3.71Å; T290-F331 HydrophobicContact CG2-CE2 4.4Å; T290-F331 HydrophobicContact CG2-CG 3.97Å; I293-F331 HydrophobicContact CD1-CE2 4.34Å; I293-F331 HydrophobicContact CD1-CZ 4.35Å; L295-F331 HydrophobicContact CD2-CE1 4.41Å; W305-F331 AromaticContact CH2-CD1 3.8Å; W305-F331 HydrophobicContact CH2-CD1 3.8Å; W305-F331 AromaticContact CH2-CE1 3.65Å; W305-F331 HydrophobicContact CH2-CE1 3.65Å; W305-F331 HydrophobicContact CH2-CZ 4.33Å; W305-F331 HydrophobicContact CZ2-CD1 4.05Å; W305-F331 AromaticContact CZ2-CE1 3.5Å; W305-F331 HydrophobicContact CZ2-CE1 3.5Å; W305-F331 VanDerWaalsContact CZ2-CE1 3.5Å; W305-F331 HydrophobicContact CZ2-CE2 4.45Å; W305-F331 AromaticContact CZ2-CZ 3.73Å; W305-F331 HydrophobicContact CZ2-CZ 3.73Å; D327-F331 HydrophobicContact CB-CD2 4.18Å; D327-F331 HydrophobicContact CB-CE2 4.31Å; D327-F331 WeakPolarHBondContact O-CD2 2.74Å; D327-F331 PolarHBondContact O-N 2.74Å; F331-F334 PolarHBondContact O-N 2.84Å; F331-I335 WeakPolarHBondContact O-CB 3.49Å; F331-I335 WeakPolarHBondContact O-CD1 3.36Å; F331-I335 WeakPolarHBondContact O-CG1 3.39Å; F331-I335 PolarHBondContact O-N 3.43Å
332	N	98.6	Very high	97.1	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.8	-42.3	179.9	-85.3	-70.7	0	0	0	113	Y270 P282 A283 G287 F288 Q328 I330 F334 I335 K336	Y270-N332 HydrophobicContact CE1-CB 4.24Å; P282-N332 CarbonylContact O-C 3.58Å; A283-N332 HydrophobicContact CB-CB 3.8Å; G287-N332 WeakPolarHBondContact CA-OD1 3.47Å; F288-N332 PolarHBondContact N-OD1 3.02Å; F288-N332 PolarHBondContact O-ND2 3.48Å; Q328-N332 WeakPolarHBondContact O-CB 3.36Å; Q328-N332 PolarHBondContact O-N 3.26Å; Q328-N332 PolarHBondContact O-ND2 3.4Å; I330-N332 VanDerWaalsContact C-N 3.32Å; I330-N332 PolarHBondContact O-N 2.86Å; N332-F334 VanDerWaalsContact C-N 3.33Å; N332-F334 PolarHBondContact O-N 3.23Å; N332-I335 PolarHBondContact O-N 3.19Å; N332-K336 WeakPolarHBondContact O-CB 3.32Å; N332-K336 PolarHBondContact O-N 2.83Å
333	A	98.2	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-41.4	176.8	0	0	0	0	0	111.7	W281 P282 T312 E316 D329 I330 K336 Q337	W281-A333 HydrophobicContact CE3-CB 4.22Å; P282-A333 HydrophobicContact CB-CB 4.49Å; P282-A333 HydrophobicContact CG-CB 4.48Å; P282-A333 WeakPolarHBondContact O-CA 3.4Å; P282-A333 PolarHBondContact O-N 3.41Å; P282-A333 VanDerWaalsContact O-N 3.07Å; T312-A333 HydrophobicContact CG2-CB 3.62Å; E316-A333 HydrophobicContact CG-CB 4.03Å; D329-A333 WeakPolarHBondContact O-CB 3.04Å; D329-A333 PolarHBondContact O-N 2.88Å; I330-A333 PolarHBondContact O-N 3.28Å; A333-K336 PolarHBondContact O-N 2.97Å; A333-Q337 PolarHBondContact O-N 3.42Å
334	F	97.9	Very high	97.3	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	17%	0.174	C	C	.	.	H	α-helix	trans	-63.8	-46.8	175.7	171.6	-92.2	0	0	0	111.6	I260 W305 M308 T312 I330 F331 N332 K336 Q337 N338 L341	I260-F334 HydrophobicContact CD1-CE1 4.42Å; W305-F334 HydrophobicContact CE3-CE1 4.31Å; W305-F334 HydrophobicContact CE3-CE2 4.42Å; W305-F334 HydrophobicContact CE3-CZ 4.21Å; W305-F334 HydrophobicContact CH2-CD1 4.12Å; W305-F334 HydrophobicContact CH2-CG 4.22Å; W305-F334 HydrophobicContact CZ3-CB 4.5Å; W305-F334 AromaticContact CZ3-CD1 3.52Å; W305-F334 HydrophobicContact CZ3-CD1 3.52Å; W305-F334 AromaticContact CZ3-CD2 3.96Å; W305-F334 HydrophobicContact CZ3-CD2 3.96Å; W305-F334 AromaticContact CZ3-CE1 3.59Å; W305-F334 HydrophobicContact CZ3-CE1 3.59Å; W305-F334 HydrophobicContact CZ3-CE2 4.03Å; W305-F334 AromaticContact CZ3-CG 3.7Å; W305-F334 HydrophobicContact CZ3-CG 3.7Å; W305-F334 AromaticContact CZ3-CZ 3.84Å; W305-F334 HydrophobicContact CZ3-CZ 3.84Å; M308-F334 HydrophobicContact CB-CD2 4.25Å; M308-F334 HydrophobicContact CB-CE2 3.78Å; M308-F334 HydrophobicContact CE-CE2 3.6Å; M308-F334 HydrophobicContact CE-CZ 3.6Å; M308-F334 HydrophobicContact CG-CE2 4.41Å; M308-F334 HydrophobicContact SD-CE2 3.76Å; M308-F334 HydrophobicContact SD-CZ 4.16Å; T312-F334 HydrophobicContact CG2-CB 4.33Å; I330-F334 WeakPolarHBondContact O-CB 3.05Å; I330-F334 PolarHBondContact O-N 3.42Å; F331-F334 PolarHBondContact O-N 2.84Å; N332-F334 VanDerWaalsContact C-N 3.33Å; N332-F334 PolarHBondContact O-N 3.23Å; F334-K336 VanDerWaalsContact C-N 3.3Å; F334-K336 PolarHBondContact O-N 2.9Å; F334-Q337 PolarHBondContact O-N 3.48Å; F334-Q337 VanDerWaalsContact O-N 3.12Å; F334-N338 HydrophobicContact CE1-CB 4.24Å; F334-N338 WeakPolarHBondContact CE2-ND2 3.32Å; F334-N338 HydrophobicContact CZ-CB 4.18Å; F334-N338 PolarHBondContact O-N 3.26Å; F334-N338 PolarHBondContact O-ND2 2.96Å; F334-L341 HydrophobicContact CE1-CD1 4.01Å; F334-L341 HydrophobicContact CZ-CD1 3.72Å
335	I	98.1	Very high	97.5	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-64	-37	-179.4	-71.9	164.6	0	0	0	110.9	L262 L284 F288 F331 N332 Q337 N338 P339 V342	L262-I335 HydrophobicContact CD1-CD1 3.49Å; L262-I335 VanDerWaalsContact CD1-CD1 3.49Å; L284-I335 HydrophobicContact CD1-CG2 3.59Å; L284-I335 HydrophobicContact CG-CG2 4.29Å; F288-I335 HydrophobicContact CD2-CD1 4.15Å; F288-I335 HydrophobicContact CD2-CG2 4.16Å; F288-I335 HydrophobicContact CE2-CG2 3.81Å; F331-I335 WeakPolarHBondContact O-CB 3.49Å; F331-I335 WeakPolarHBondContact O-CD1 3.36Å; F331-I335 WeakPolarHBondContact O-CG1 3.39Å; F331-I335 PolarHBondContact O-N 3.43Å; N332-I335 PolarHBondContact O-N 3.19Å; I335-Q337 PolarHBondContact O-N 2.7Å; I335-N338 CarbonylContact O-C 3.44Å; I335-N338 PolarHBondContact O-N 2.98Å; I335-P339 WeakPolarHBondContact O-CA 3.31Å; I335-V342 HydrophobicContact CD1-CG2 4.32Å; I335-V342 HydrophobicContact CG1-CB 4.49Å; I335-V342 HydrophobicContact CG2-CB 4.19Å; I335-V342 HydrophobicContact CG2-CG1 3.76Å
336	K	97.4	Very high	97.5	Very high	105 Å²	105	31.7 Å²	31.7	46%	0.457	17%	0.167	S	C	.	.	H	α-helix	trans	-57.7	-37.1	174.4	-171.1	-176.6	-174	172.6	0	112.6	P282 A283 L284 N332 A333 F334	P282-K336 HydrophobicContact CB-CD 3.44Å; P282-K336 VanDerWaalsContact CB-CD 3.44Å; A283-K336 WeakPolarHBondContact O-CD 3.23Å; L284-K336 HydrophobicContact CD2-CB 4.4Å; L284-K336 HydrophobicContact CD2-CG 4.11Å; L284-K336 HydrophobicContact CG-CB 4.39Å; N332-K336 WeakPolarHBondContact O-CB 3.32Å; N332-K336 PolarHBondContact O-N 2.83Å; A333-K336 PolarHBondContact O-N 2.97Å; F334-K336 VanDerWaalsContact C-N 3.3Å; F334-K336 PolarHBondContact O-N 2.9Å
337	Q	96.3	Very high	97.4	Very high	73 Å²	73	33.5 Å²	33.5	34%	0.341	18%	0.18	S	C	.	.	H	α-helix	trans	-79.2	-23.5	176.9	-62.2	176.4	26.9	0	0	112	R315 A333 F334 I335	R315-Q337 VanDerWaalsContact NH1-CD 3.25Å; R315-Q337 VanDerWaalsContact NH1-NE2 3.16Å; A333-Q337 PolarHBondContact O-N 3.42Å; F334-Q337 PolarHBondContact O-N 3.48Å; F334-Q337 VanDerWaalsContact O-N 3.12Å; I335-Q337 PolarHBondContact O-N 2.7Å
338	N	96.7	Very high	97.3	Very high	51 Å²	51	36.3 Å²	36.3	27%	0.273	19%	0.192	S	C	.	.			trans	-134.4	59.3	-172.5	-55.6	-81.7	0	0	0	113.1	F334 I335 V340 L341	F334-N338 HydrophobicContact CE1-CB 4.24Å; F334-N338 WeakPolarHBondContact CE2-ND2 3.32Å; F334-N338 HydrophobicContact CZ-CB 4.18Å; F334-N338 PolarHBondContact O-N 3.26Å; F334-N338 PolarHBondContact O-ND2 2.96Å; I335-N338 CarbonylContact O-C 3.44Å; I335-N338 PolarHBondContact O-N 2.98Å; N338-V340 PolarHBondContact O-N 3.17Å; N338-V340 VanDerWaalsContact O-N 3.12Å; N338-L341 HydrophobicContact CB-CB 4.49Å; N338-L341 HydrophobicContact CB-CD1 3.69Å; N338-L341 HydrophobicContact CB-CG 4.03Å; N338-L341 WeakPolarHBondContact O-CB 3.44Å; N338-L341 PolarHBondContact O-N 3.07Å; N338-L341 VanDerWaalsContact O-N 3.14Å
339	P	97	Very high	97.2	Very high	67 Å²	67	36.4 Å²	36.4	44%	0.435	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-61.7	-26.7	-172.3	22.8	-34.5	0	0	0	114.1	L284 I335 L341 V342	L284-P339 HydrophobicContact CD1-CB 3.67Å; I335-P339 WeakPolarHBondContact O-CA 3.31Å; P339-L341 PolarHBondContact O-N 2.62Å; P339-V342 WeakPolarHBondContact O-CG1 3.4Å; P339-V342 PolarHBondContact O-N 3.47Å
340	V	97.1	Very high	97.2	Very high	94 Å²	94	36.4 Å²	36.4	57%	0.57	19%	0.192	S	C	*	.	G	3₁₀ helix	trans	-70.3	-13.2	-179	-62	0	0	0	0	113.8	N338	N338-V340 PolarHBondContact O-N 3.17Å; N338-V340 VanDerWaalsContact O-N 3.12Å
341	L	97.4	Very high	97.1	Very high	27 Å²	27	36.4 Å²	36.4	14%	0.141	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-89.7	-10.9	-176.4	-63.2	-172.7	0	0	0	113.4	K257 Q258 V259 I260 I303 F334 N338 P339	K257-L341 WeakPolarHBondContact O-CD2 3.47Å; Q258-L341 WeakPolarHBondContact CA-O 3.08Å; V259-L341 HydrophobicContact CG2-CB 4.08Å; V259-L341 PolarHBondContact N-O 3.01Å; I260-L341 PolarHBondContact N-O 2.76Å; I303-L341 HydrophobicContact CD1-CD1 4.07Å; F334-L341 HydrophobicContact CE1-CD1 4.01Å; F334-L341 HydrophobicContact CZ-CD1 3.72Å; N338-L341 HydrophobicContact CB-CB 4.49Å; N338-L341 HydrophobicContact CB-CD1 3.69Å; N338-L341 HydrophobicContact CB-CG 4.03Å; N338-L341 WeakPolarHBondContact O-CB 3.44Å; N338-L341 PolarHBondContact O-N 3.07Å; N338-L341 VanDerWaalsContact O-N 3.14Å; P339-L341 PolarHBondContact O-N 2.62Å
342	V	97.9	Very high	97	Very high	16 Å²	16	36.4 Å²	36.4	10%	0.097	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	137.1	-178.2	67	0	0	0	0	112	Q258 I260 F288 I335 P339	Q258-V342 PolarHBondContact NE2-O 3.45Å; I260-V342 CarbonylContact O-C 3.55Å; I260-V342 VanDerWaalsContact O-CA 3.3Å; I260-V342 WeakPolarHBondContact O-CA 3.48Å; F288-V342 HydrophobicContact CE1-CG2 4.33Å; F288-V342 HydrophobicContact CE2-CG1 4.44Å; F288-V342 HydrophobicContact CZ-CG1 4.25Å; F288-V342 HydrophobicContact CZ-CG2 4.24Å; I335-V342 HydrophobicContact CD1-CG2 4.32Å; I335-V342 HydrophobicContact CG1-CB 4.49Å; I335-V342 HydrophobicContact CG2-CB 4.19Å; I335-V342 HydrophobicContact CG2-CG1 3.76Å; P339-V342 WeakPolarHBondContact O-CG1 3.4Å; P339-V342 PolarHBondContact O-N 3.47Å
343	H	98.3	Very high	96.7	Very high	30 Å²	30	36.4 Å²	36.4	14%	0.139	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	116.3	165.4	-173.6	92.9	0	0	0	108.8	F254 Q258 I260 G261 L262 L345	F254-H343 HydrophobicContact CD1-CB 3.77Å; F254-H343 AromaticContact CD1-CG 3.69Å; F254-H343 AromaticContact CD1-ND1 3.92Å; F254-H343 HydrophobicContact CE1-CB 3.5Å; F254-H343 AromaticContact CE1-CD2 3.86Å; F254-H343 AromaticContact CE1-CG 3.62Å; F254-H343 HydrophobicContact CG-CB 4.38Å; F254-H343 HydrophobicContact CZ-CB 3.92Å; Q258-H343 HydrophobicContact CB-CB 4.43Å; Q258-H343 HydrophobicContact CG-CB 4.29Å; Q258-H343 PolarHBondContact OE1-ND1 2.83Å; Q258-H343 VanDerWaalsContact OE1-ND1 3.11Å; I260-H343 PolarHBondContact O-N 3.45Å; G261-H343 VanDerWaalsContact CA-O 3.24Å; G261-H343 WeakPolarHBondContact CA-O 3.08Å; L262-H343 PolarHBondContact N-O 3.38Å; L262-H343 VanDerWaalsContact N-O 3.11Å; H343-L345 PolarHBondContact O-N 2.76Å
344	Q	97.9	Very high	96.3	Very high	115 Å²	115	37.2 Å²	37.2	54%	0.537	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.2	178.3	-177.5	169.6	-8.2	0	0	110.3	F288	F288-Q344 HydrophobicContact CE1-CB 4.35Å; F288-Q344 HydrophobicContact CE1-CG 4.15Å
345	L	97.5	Very high	95.7	Very high	4 Å²	4	39.5 Å²	39.5	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	144.6	176.1	-64.7	174.1	0	0	0	110.8	I250 L262 V263 L294 H343	I250-L345 HydrophobicContact CB-CD2 4.4Å; I250-L345 HydrophobicContact CD1-CD2 3.83Å; I250-L345 HydrophobicContact CG2-CD2 3.61Å; L262-L345 PolarHBondContact O-N 3.1Å; V263-L345 HydrophobicContact CG2-CB 3.5Å; V263-L345 HydrophobicContact CG2-CD1 4.15Å; V263-L345 HydrophobicContact CG2-CG 4.46Å; L294-L345 HydrophobicContact CD1-CD1 4.39Å; L294-L345 HydrophobicContact CD1-CD2 3.89Å; L294-L345 HydrophobicContact CG-CD1 4.24Å; H343-L345 PolarHBondContact O-N 2.76Å
346	P	95.4	Very high	95.1	Very high	58 Å²	58	44.1 Å²	44.1	38%	0.377	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-56.3	143.5	167.5	-23.6	32.7	0	0	0	111.8	F348 W349	P346-F348 VanDerWaalsContact C-N 3.29Å; P346-F348 HydrophobicContact CB-CD1 3.87Å; P346-F348 HydrophobicContact CB-CD2 4.32Å; P346-F348 HydrophobicContact CB-CE1 3.32Å; P346-F348 HydrophobicContact CB-CE2 3.86Å; P346-F348 HydrophobicContact CB-CG 4.35Å; P346-F348 HydrophobicContact CB-CZ 3.32Å; P346-F348 HydrophobicContact CG-CE1 4.23Å; P346-F348 HydrophobicContact CG-CE2 4.4Å; P346-F348 HydrophobicContact CG-CZ 3.84Å; P346-F348 PolarHBondContact O-N 3.09Å; P346-W349 WeakPolarHBondContact O-CB 3.38Å; P346-W349 PolarHBondContact O-N 3.28Å; P346-W349 VanDerWaalsContact O-N 3.14Å
347	C	94.6	Very high	94.7	Very high	40 Å²	40	39.7 Å²	39.7	27%	0.27	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-74.4	-15.5	-165.7	69.6	0	0	0	0	115.7	V263 W349 N350 V351 C362	V263-C347 HydrophobicContact CG1-CB 3.9Å; C347-W349 PolarHBondContact O-N 3.29Å; C347-N350 CarbonylContact O-C 3.48Å; C347-N350 VanDerWaalsContact O-C 3.24Å; C347-N350 PolarHBondContact O-N 3.24Å; C347-N350 VanDerWaalsContact O-N 3.12Å; C347-V351 PolarHBondContact O-N 2.69Å; C347-C362 HydrophobicContact CB-CB 4.04Å; C347-C362 WeakPolarHBondContact CB-SG 3.44Å; C347-C362 WeakPolarHBondContact SG-CA 3.41Å; C347-C362 WeakPolarHBondContact SG-CB 3.46Å; C347-C362 CovalentContact SG-SG 2.04Å; C347-C362 PolarHBondContact SG-SG 3.39Å
348	F	94.8	Very high	94.3	Very high	67 Å²	67	40.4 Å²	40.4	29%	0.294	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-65.6	-15.5	170.4	51.3	-106.9	0	0	0	114.2	P346 N350 D368 K370 V371	P346-F348 VanDerWaalsContact C-N 3.29Å; P346-F348 HydrophobicContact CB-CD1 3.87Å; P346-F348 HydrophobicContact CB-CD2 4.32Å; P346-F348 HydrophobicContact CB-CE1 3.32Å; P346-F348 HydrophobicContact CB-CE2 3.86Å; P346-F348 HydrophobicContact CB-CG 4.35Å; P346-F348 HydrophobicContact CB-CZ 3.32Å; P346-F348 HydrophobicContact CG-CE1 4.23Å; P346-F348 HydrophobicContact CG-CE2 4.4Å; P346-F348 HydrophobicContact CG-CZ 3.84Å; P346-F348 PolarHBondContact O-N 3.09Å; F348-N350 VanDerWaalsContact C-N 3.26Å; F348-N350 PolarHBondContact O-N 2.84Å; F348-D368 WeakPolarHBondContact CB-O 3.12Å; F348-K370 HydrophobicContact CD2-CB 4.17Å; F348-K370 HydrophobicContact CD2-CG 3.58Å; F348-K370 HydrophobicContact CE2-CG 4.12Å; F348-K370 HydrophobicContact CG-CG 4.46Å; F348-K370 WeakPolarHBondContact O-CB 3.39Å; F348-K370 PolarHBondContact O-N 3.15Å; F348-V371 PolarHBondContact O-N 3.37Å; F348-V371 VanDerWaalsContact O-N 3.07Å
349	W	96.5	Very high	93.9	Very high	13 Å²	13	38 Å²	38	5%	0.049	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-79.1	-3.2	172	-75.7	112	0	0	0	114.1	T242 E246 L247 I250 V263 P346 C347 K370 V371	T242-W349 HydrophobicContact CG2-CH2 3.75Å; T242-W349 HydrophobicContact CG2-CZ3 3.73Å; E246-W349 HydrophobicContact CB-CH2 3.56Å; E246-W349 HydrophobicContact CB-CZ2 3.87Å; L247-W349 HydrophobicContact CB-CD2 4.44Å; L247-W349 HydrophobicContact CB-CE3 3.82Å; L247-W349 HydrophobicContact CB-CH2 3.93Å; L247-W349 HydrophobicContact CB-CZ2 4.48Å; L247-W349 HydrophobicContact CB-CZ3 3.56Å; L247-W349 HydrophobicContact CD1-CD2 3.88Å; L247-W349 HydrophobicContact CD1-CE3 3.84Å; L247-W349 HydrophobicContact CD1-CG 4.2Å; L247-W349 HydrophobicContact CD1-CZ3 4.45Å; L247-W349 HydrophobicContact CD2-CE3 4.12Å; L247-W349 HydrophobicContact CD2-CZ3 4.45Å; L247-W349 HydrophobicContact CG-CE3 4.12Å; L247-W349 HydrophobicContact CG-CZ3 4.35Å; I250-W349 HydrophobicContact CD1-CD2 4.44Å; I250-W349 HydrophobicContact CD1-CG 4.46Å; I250-W349 HydrophobicContact CD1-CZ2 4.44Å; V263-W349 HydrophobicContact CG2-CB 4.11Å; P346-W349 WeakPolarHBondContact O-CB 3.38Å; P346-W349 PolarHBondContact O-N 3.28Å; P346-W349 VanDerWaalsContact O-N 3.14Å; C347-W349 PolarHBondContact O-N 3.29Å; W349-K370 HydrophobicContact CD2-CB 4.13Å; W349-K370 HydrophobicContact CE3-CB 3.78Å; W349-K370 HydrophobicContact CH2-CB 4.09Å; W349-K370 HydrophobicContact CH2-CD 4.12Å; W349-K370 HydrophobicContact CH2-CG 4.21Å; W349-K370 HydrophobicContact CZ2-CB 4.48Å; W349-K370 HydrophobicContact CZ2-CD 4.36Å; W349-K370 HydrophobicContact CZ2-CG 4.26Å; W349-K370 HydrophobicContact CZ3-CB 3.74Å; W349-K370 HydrophobicContact CZ3-CG 4.36Å; W349-V371 HydrophobicContact CE3-CG2 3.73Å; W349-V371 HydrophobicContact CZ3-CG2 4.1Å; W349-V371 VanDerWaalsContact O-CB 3.31Å; W349-V371 WeakPolarHBondContact O-CB 3.45Å
350	N	97.3	Very high	93.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.197	C	C	.	.	S	Bend	trans	-163.6	73.5	173.3	-173.5	-0.5	0	0	0	109	V263 Q266 N289 V292 C347 F348 Q352 H373	V263-N350 HydrophobicContact CB-CB 3.66Å; V263-N350 HydrophobicContact CG1-CB 3.95Å; V263-N350 HydrophobicContact CG2-CB 3.55Å; Q266-N350 PolarHBondContact NE2-O 3.31Å; N289-N350 PolarHBondContact OD1-ND2 2.98Å; V292-N350 HydrophobicContact CB-CB 4.16Å; V292-N350 HydrophobicContact CG2-CB 3.97Å; C347-N350 CarbonylContact O-C 3.48Å; C347-N350 VanDerWaalsContact O-C 3.24Å; C347-N350 PolarHBondContact O-N 3.24Å; C347-N350 VanDerWaalsContact O-N 3.12Å; F348-N350 VanDerWaalsContact C-N 3.26Å; F348-N350 PolarHBondContact O-N 2.84Å; N350-Q352 PolarHBondContact O-N 3.1Å; N350-Q352 PolarHBondContact O-NE2 2.75Å; N350-H373 WeakPolarHBondContact OD1-CB 3.36Å; N350-H373 PolarHBondContact OD1-ND1 2.87Å
351	V	95.8	Very high	93	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	109.1	176.6	-177.6	0	0	0	0	108.8	C347 L353 C362 Y363 L369 V371 H373 F390	C347-V351 PolarHBondContact O-N 2.69Å; V351-L353 HydrophobicContact CG1-CD2 4.39Å; V351-C362 HydrophobicContact CG2-CB 4.24Å; V351-Y363 HydrophobicContact CG1-CD1 4.29Å; V351-Y363 HydrophobicContact CG1-CE1 4Å; V351-L369 HydrophobicContact CB-CD2 4.34Å; V351-L369 HydrophobicContact CG1-CD2 4.32Å; V351-L369 HydrophobicContact CG2-CD2 3.67Å; V351-V371 PolarHBondContact N-O 3.25Å; V351-H373 PolarHBondContact O-N 2.76Å; V351-F390 HydrophobicContact CG1-CZ 4.35Å
352	Q	95.4	Very high	92.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	122.3	-168.4	-69.8	153.3	51.6	0	0	110.5	E264 N265 Q266 N289 N350 T357 S359	E264-Q352 PolarHBondContact O-NE2 3.33Å; N265-Q352 PolarHBondContact OD1-OE1 2.71Å; Q266-Q352 HydrophobicContact CB-CB 4.32Å; N289-Q352 HydrophobicContact CB-CG 4.33Å; N350-Q352 PolarHBondContact O-N 3.1Å; N350-Q352 PolarHBondContact O-NE2 2.75Å; Q352-T357 HydrophobicContact CB-CG2 3.9Å; Q352-T357 VanDerWaalsContact O-CB 3.23Å; Q352-T357 WeakPolarHBondContact O-CB 3.18Å; Q352-T357 WeakPolarHBondContact O-CG2 3.45Å; Q352-T357 PolarHBondContact O-OG1 3.15Å; Q352-S359 WeakPolarHBondContact O-CB 3.38Å
353	L	93.4	Very high	91.8	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.196	C	C	.	.			trans	-104.9	103.8	-175.7	-59.3	-176.5	0	0	0	112.2	V351 I372 H373 W374 N375 S376 V382 F390	V351-L353 HydrophobicContact CG1-CD2 4.39Å; L353-I372 HydrophobicContact CD1-CG2 3.44Å; L353-I372 VanDerWaalsContact CD1-CG2 3.44Å; L353-I372 HydrophobicContact CG-CG2 4.11Å; L353-H373 PolarHBondContact N-O 3.25Å; L353-W374 HydrophobicContact CB-CE3 4.03Å; L353-W374 HydrophobicContact CB-CZ3 4.37Å; L353-W374 HydrophobicContact CD1-CD2 3.81Å; L353-W374 HydrophobicContact CD1-CE3 3.68Å; L353-W374 HydrophobicContact CD1-CH2 3.69Å; L353-W374 HydrophobicContact CD1-CZ2 3.82Å; L353-W374 HydrophobicContact CD1-CZ3 3.62Å; L353-N375 VanDerWaalsContact C-OD1 3.23Å; L353-N375 PolarHBondContact N-OD1 3.41Å; L353-N375 VanDerWaalsContact N-OD1 3.14Å; L353-N375 PolarHBondContact O-OD1 3.39Å; L353-S376 WeakPolarHBondContact O-CB 3.26Å; L353-V382 HydrophobicContact CB-CG2 4.32Å; L353-F390 HydrophobicContact CD1-CB 3.79Å; L353-F390 HydrophobicContact CD1-CD1 4.3Å; L353-F390 HydrophobicContact CD1-CD2 3.86Å; L353-F390 HydrophobicContact CD1-CG 3.74Å; L353-F390 HydrophobicContact CD2-CD2 3.78Å; L353-F390 HydrophobicContact CD2-CE2 3.69Å; L353-F390 HydrophobicContact CD2-CG 4.38Å; L353-F390 HydrophobicContact CD2-CZ 4.18Å
354	S	89.9	Confident	90.9	Very high	17 Å²	17	45 Å²	45	12%	0.119	23%	0.228	C	C	.	.	S	Bend	trans	-144.2	174.4	171.7	83.8	0	0	0	0	111.8	H356 T357	S354-H356 PolarHBondContact O-N 3.18Å; S354-H356 PolarHBondContact OG-N 3.48Å; S354-H356 VanDerWaalsContact OG-N 3.13Å; S354-T357 PolarHBondContact N-OG1 2.91Å; S354-T357 PolarHBondContact O-OG1 3.38Å; S354-T357 WeakPolarHBondContact OG-CG2 3.44Å; S354-T357 PolarHBondContact OG-N 3.19Å; S354-T357 VanDerWaalsContact OG-N 3.16Å; S354-T357 PolarHBondContact OG-OG1 2.79Å; S354-T357 VanDerWaalsContact OG-OG1 3.13Å
355	D	85.6	Confident	89.7	Confident	51 Å²	51	44.7 Å²	44.7	27%	0.273	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-9.2	175.6	-63.6	-14.1	0	0	0	113.4	K378 V382 K383	D355-K378 WeakPolarHBondContact OD2-CD 3.36Å; D355-K378 WeakPolarHBondContact OD2-CE 3.4Å; D355-K378 IonicContact OD2-NZ 2.69Å; D355-K378 PolarHBondContact OD2-NZ 2.75Å; D355-V382 VanDerWaalsContact OD1-CA 3.31Å; D355-V382 WeakPolarHBondContact OD1-CA 3.05Å; D355-K383 PolarHBondContact OD1-N 2.68Å
356	H	85.6	Confident	88.3	Confident	98 Å²	98	46.2 Å²	46.2	45%	0.454	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	12.5	-173.2	-56.8	-62.8	0	0	0	113.5	L274 W275 S354	L274-H356 HydrophobicContact CD2-CB 3.96Å; W275-H356 AromaticContact CH2-CE1 3.97Å; W275-H356 AromaticContact CH2-NE2 3.47Å; W275-H356 WeakPolarHBondContact CH2-NE2 3.06Å; S354-H356 PolarHBondContact O-N 3.18Å; S354-H356 PolarHBondContact OG-N 3.48Å; S354-H356 VanDerWaalsContact OG-N 3.13Å
357	T	87.3	Confident	87.2	Confident	12 Å²	12	47 Å²	47	7%	0.074	24%	0.243	C	C	.	.			trans	-94.3	145.3	179.4	39.6	0	0	0	0	111.1	Q266 Q352 S354 S359	Q266-T357 HydrophobicContact CB-CG2 4.16Å; Q266-T357 CarbonylContact O-C 3.56Å; Q266-T357 WeakPolarHBondContact O-CA 3.17Å; Q352-T357 HydrophobicContact CB-CG2 3.9Å; Q352-T357 VanDerWaalsContact O-CB 3.23Å; Q352-T357 WeakPolarHBondContact O-CB 3.18Å; Q352-T357 WeakPolarHBondContact O-CG2 3.45Å; Q352-T357 PolarHBondContact O-OG1 3.15Å; S354-T357 PolarHBondContact N-OG1 2.91Å; S354-T357 PolarHBondContact O-OG1 3.38Å; S354-T357 WeakPolarHBondContact OG-CG2 3.44Å; S354-T357 PolarHBondContact OG-N 3.19Å; S354-T357 VanDerWaalsContact OG-N 3.16Å; S354-T357 PolarHBondContact OG-OG1 2.79Å; S354-T357 VanDerWaalsContact OG-OG1 3.13Å; T357-S359 VanDerWaalsContact C-N 3.26Å; T357-S359 PolarHBondContact O-N 3.49Å
358	R	88.6	Confident	86.4	Confident	88 Å²	88	47.7 Å²	47.7	33%	0.332	24%	0.244	S	C	.	.			trans	-93.8	43.3	175.8	-55.1	177.8	-174.7	-158.4	-0.8	111.7	Q266 D268 E360 Q361	Q266-R358 PolarHBondContact O-N 2.81Å; D268-R358 IonicContact OD1-CZ 3.49Å; D268-R358 IonicContact OD1-NE 3.36Å; D268-R358 IonicContact OD1-NH2 2.96Å; D268-R358 PolarHBondContact OD1-NH2 2.83Å; D268-R358 IonicContact OD2-CZ 2.87Å; D268-R358 IonicContact OD2-NE 3.85Å; D268-R358 IonicContact OD2-NH2 2.9Å; D268-R358 PolarHBondContact OD2-NH2 3.4Å; R358-E360 VanDerWaalsContact C-OE2 3.29Å; R358-E360 WeakPolarHBondContact CA-OE1 3.44Å; R358-E360 PolarHBondContact O-N 2.84Å; R358-Q361 HydrophobicContact CB-CG 4.24Å; R358-Q361 WeakPolarHBondContact O-CB 3.2Å; R358-Q361 PolarHBondContact O-N 3.17Å; R358-Q361 VanDerWaalsContact O-N 3.11Å
359	S	89.1	Confident	86	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-59.5	-30.8	-170.9	57.6	0	0	0	0	113.9	Q352 T357 Q361 C362 Y363 N384	Q352-S359 WeakPolarHBondContact O-CB 3.38Å; T357-S359 VanDerWaalsContact C-N 3.26Å; T357-S359 PolarHBondContact O-N 3.49Å; S359-Q361 PolarHBondContact O-N 3.26Å; S359-Q361 VanDerWaalsContact O-N 3.13Å; S359-C362 WeakPolarHBondContact O-CB 3.17Å; S359-C362 PolarHBondContact O-N 3Å; S359-Y363 WeakPolarHBondContact O-CD1 3.29Å; S359-Y363 WeakPolarHBondContact O-CE1 3.49Å; S359-N384 PolarHBondContact OG-ND2 2.82Å
360	E	85.6	Confident	85.8	Confident	84 Å²	84	46.1 Å²	46.1	39%	0.393	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-63.1	-13.6	178	65.8	-74.5	170.6	0	0	113.5	R358 C362	R358-E360 VanDerWaalsContact C-OE2 3.29Å; R358-E360 WeakPolarHBondContact CA-OE1 3.44Å; R358-E360 PolarHBondContact O-N 2.84Å; E360-C362 VanDerWaalsContact C-N 3.26Å
361	Q	88.2	Confident	85.8	Confident	133 Å²	133	46.1 Å²	46.1	62%	0.621	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-82.6	-6.7	175.3	-57.5	-177.6	-1.8	0	0	112.4	R358 S359	R358-Q361 HydrophobicContact CB-CG 4.24Å; R358-Q361 WeakPolarHBondContact O-CB 3.2Å; R358-Q361 PolarHBondContact O-N 3.17Å; R358-Q361 VanDerWaalsContact O-N 3.11Å; S359-Q361 PolarHBondContact O-N 3.26Å; S359-Q361 VanDerWaalsContact O-N 3.13Å
362	C	88.6	Confident	85.8	Confident	12 Å²	12	46.2 Å²	46.2	8%	0.081	24%	0.238	C	C	.	.	S	Bend	trans	-99.9	-5.2	-173.3	-70.4	0	0	0	0	115.4	Q266 C347 V351 S359 E360	Q266-C362 PolarHBondContact NE2-SG 3Å; C347-C362 HydrophobicContact CB-CB 4.04Å; C347-C362 WeakPolarHBondContact CB-SG 3.44Å; C347-C362 WeakPolarHBondContact SG-CA 3.41Å; C347-C362 WeakPolarHBondContact SG-CB 3.46Å; C347-C362 CovalentContact SG-SG 2.04Å; C347-C362 PolarHBondContact SG-SG 3.39Å; V351-C362 HydrophobicContact CG2-CB 4.24Å; S359-C362 WeakPolarHBondContact O-CB 3.17Å; S359-C362 PolarHBondContact O-N 3Å; E360-C362 VanDerWaalsContact C-N 3.26Å
363	Y	83.3	Confident	85.9	Confident	20 Å²	20	46.3 Å²	46.3	8%	0.078	24%	0.239	C	C	.	.			trans	-150.3	141.1	179.3	54.7	-85.2	0	0	0	108.8	V351 S359 L369 H386 F390	V351-Y363 HydrophobicContact CG1-CD1 4.29Å; V351-Y363 HydrophobicContact CG1-CE1 4Å; S359-Y363 WeakPolarHBondContact O-CD1 3.29Å; S359-Y363 WeakPolarHBondContact O-CE1 3.49Å; Y363-L369 HydrophobicContact CD1-CD2 3.44Å; Y363-L369 VanDerWaalsContact CD1-CD2 3.44Å; Y363-L369 HydrophobicContact CD1-CG 4.37Å; Y363-L369 HydrophobicContact CD2-CD2 4.42Å; Y363-L369 HydrophobicContact CE1-CD2 4.05Å; Y363-L369 HydrophobicContact CG-CD2 3.65Å; Y363-L369 HydrophobicContact CG-CG 4.11Å; Y363-H386 AromaticContact CE2-CD2 3.75Å; Y363-H386 AromaticContact CZ-CD2 3.89Å; Y363-H386 PolarHBondContact OH-CD2 2.96Å; Y363-F390 AromaticContact CE1-CZ 3.8Å; Y363-F390 HydrophobicContact CE1-CZ 3.8Å; Y363-F390 HydrophobicContact CE2-CZ 4.48Å; Y363-F390 AromaticContact CZ-CZ 3.66Å; Y363-F390 WeakPolarHBondContact OH-CE2 3.3Å; Y363-F390 WeakPolarHBondContact OH-CZ 3.5Å
364	T	77.6	Confident	85.9	Confident	133 Å²	133	46.5 Å²	46.5	82%	0.816	24%	0.239	S	C	*	.	S	Bend	trans	-99.6	-40.1	170.1	42.5	0	0	0	0	110.3	D368	T364-D368 PolarHBondContact N-OD2 3.25Å; T364-D368 PolarHBondContact OG1-OD2 2.8Å
365	E	73.1	Confident	86	Confident	109 Å²	109	47.3 Å²	47.3	51%	0.509	24%	0.242	S	C	.	.	S	Bend	trans	-121.2	160.6	175.4	-64.4	-174.5	178.4	0	0	110.1	S367 D368	E365-S367 WeakPolarHBondContact CB-OG 2.91Å; E365-S367 PolarHBondContact O-N 3.41Å; E365-S367 PolarHBondContact OE2-OG 2.97Å; E365-D368 PolarHBondContact N-OD2 3.19Å; E365-D368 VanDerWaalsContact O-CB 3.31Å; E365-D368 WeakPolarHBondContact O-CB 3.19Å; E365-D368 PolarHBondContact O-N 3.19Å; E365-D368 VanDerWaalsContact O-N 3.11Å
366	V	68.3	Low	86.2	Confident	36 Å²	36	45.5 Å²	45.5	22%	0.218	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-67.1	-26.6	179.7	-179.9	0	0	0	0	112.1	Q80 D368 L369 F389	Q80-V366 HydrophobicContact CB-CB 4.33Å; Q80-V366 HydrophobicContact CB-CG1 4.23Å; Q80-V366 HydrophobicContact CG-CB 4.13Å; Q80-V366 HydrophobicContact CG-CG1 3.49Å; Q80-V366 VanDerWaalsContact CG-CG1 3.49Å; V366-D368 PolarHBondContact O-N 3.12Å; V366-L369 HydrophobicContact CG1-CD1 4.17Å; V366-L369 WeakPolarHBondContact O-CB 3.45Å; V366-L369 PolarHBondContact O-N 3.26Å; V366-L369 VanDerWaalsContact O-N 3.15Å; V366-F389 HydrophobicContact CB-CZ 4.48Å; V366-F389 HydrophobicContact CG1-CD1 4.33Å; V366-F389 HydrophobicContact CG1-CD2 4.29Å; V366-F389 HydrophobicContact CG1-CE1 3.56Å; V366-F389 HydrophobicContact CG1-CE2 3.52Å; V366-F389 HydrophobicContact CG1-CZ 3.1Å
367	S	73.7	Confident	86.3	Confident	74 Å²	74	45.2 Å²	45.2	52%	0.517	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.4	-22.6	172.7	48.6	0	0	0	0	113.5	E365 L369	E365-S367 WeakPolarHBondContact CB-OG 2.91Å; E365-S367 PolarHBondContact O-N 3.41Å; E365-S367 PolarHBondContact OE2-OG 2.97Å; S367-L369 VanDerWaalsContact C-N 3.28Å; S367-L369 PolarHBondContact O-N 3.2Å
368	D	77.7	Confident	86.4	Confident	54 Å²	54	49.6 Å²	49.6	29%	0.289	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-74.3	-19.9	177.2	-60.6	-36.6	0	0	0	112.2	F348 T364 E365 V366 K370	F348-D368 WeakPolarHBondContact CB-O 3.12Å; T364-D368 PolarHBondContact N-OD2 3.25Å; T364-D368 PolarHBondContact OG1-OD2 2.8Å; E365-D368 PolarHBondContact N-OD2 3.19Å; E365-D368 VanDerWaalsContact O-CB 3.31Å; E365-D368 WeakPolarHBondContact O-CB 3.19Å; E365-D368 PolarHBondContact O-N 3.19Å; E365-D368 VanDerWaalsContact O-N 3.11Å; V366-D368 PolarHBondContact O-N 3.12Å; D368-K370 PolarHBondContact O-N 3.18Å
369	L	84.6	Confident	86.5	Confident	7 Å²	7	48.4 Å²	48.4	4%	0.037	26%	0.256	C	S	.	.			trans	-73.7	122.7	-174.8	-68.5	172.9	0	0	0	111.3	V351 Y363 V366 S367 F389 F390	V351-L369 HydrophobicContact CB-CD2 4.34Å; V351-L369 HydrophobicContact CG1-CD2 4.32Å; V351-L369 HydrophobicContact CG2-CD2 3.67Å; Y363-L369 HydrophobicContact CD1-CD2 3.44Å; Y363-L369 VanDerWaalsContact CD1-CD2 3.44Å; Y363-L369 HydrophobicContact CD1-CG 4.37Å; Y363-L369 HydrophobicContact CD2-CD2 4.42Å; Y363-L369 HydrophobicContact CE1-CD2 4.05Å; Y363-L369 HydrophobicContact CG-CD2 3.65Å; Y363-L369 HydrophobicContact CG-CG 4.11Å; V366-L369 HydrophobicContact CG1-CD1 4.17Å; V366-L369 WeakPolarHBondContact O-CB 3.45Å; V366-L369 PolarHBondContact O-N 3.26Å; V366-L369 VanDerWaalsContact O-N 3.15Å; S367-L369 VanDerWaalsContact C-N 3.28Å; S367-L369 PolarHBondContact O-N 3.2Å; L369-F389 HydrophobicContact CD1-CD1 4.2Å; L369-F389 HydrophobicContact CD1-CE1 3.53Å; L369-F389 HydrophobicContact CD1-CZ 4.43Å; L369-F390 HydrophobicContact CD1-CD1 4.44Å; L369-F390 HydrophobicContact CD1-CE1 3.54Å; L369-F390 HydrophobicContact CD1-CZ 4.17Å; L369-F390 HydrophobicContact CD2-CE1 4.11Å; L369-F390 HydrophobicContact CD2-CZ 4.44Å
370	K	93.9	Very high	86.5	Confident	41 Å²	41	50.8 Å²	50.8	18%	0.178	27%	0.268	C	S	.	.			trans	-108.1	-48.1	179	-61.1	-73.1	170.7	169.3	0	111.5	A241 T242 E246 F348 W349 D368	A241-K370 PolarHBondContact N-O 3.13Å; T242-K370 HydrophobicContact CG2-CB 3.92Å; T242-K370 HydrophobicContact CG2-CD 3.5Å; T242-K370 VanDerWaalsContact CG2-CD 3.5Å; T242-K370 HydrophobicContact CG2-CG 4.3Å; T242-K370 WeakPolarHBondContact OG1-CD 3.33Å; T242-K370 PolarHBondContact OG1-NZ 3.2Å; E246-K370 IonicContact OE1-NZ 3.11Å; E246-K370 IonicContact OE2-NZ 2.77Å; E246-K370 PolarHBondContact OE2-NZ 3.09Å; F348-K370 HydrophobicContact CD2-CB 4.17Å; F348-K370 HydrophobicContact CD2-CG 3.58Å; F348-K370 HydrophobicContact CE2-CG 4.12Å; F348-K370 HydrophobicContact CG-CG 4.46Å; F348-K370 WeakPolarHBondContact O-CB 3.39Å; F348-K370 PolarHBondContact O-N 3.15Å; W349-K370 HydrophobicContact CD2-CB 4.13Å; W349-K370 HydrophobicContact CE3-CB 3.78Å; W349-K370 HydrophobicContact CH2-CB 4.09Å; W349-K370 HydrophobicContact CH2-CD 4.12Å; W349-K370 HydrophobicContact CH2-CG 4.21Å; W349-K370 HydrophobicContact CZ2-CB 4.48Å; W349-K370 HydrophobicContact CZ2-CD 4.36Å; W349-K370 HydrophobicContact CZ2-CG 4.26Å; W349-K370 HydrophobicContact CZ3-CB 3.74Å; W349-K370 HydrophobicContact CZ3-CG 4.36Å; D368-K370 PolarHBondContact O-N 3.18Å
371	V	96.7	Very high	86.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	127.4	-176.9	-177.7	0	0	0	0	110.8	I238 F240 V292 F348 W349 V351	I238-V371 HydrophobicContact CG2-CG1 3.32Å; F240-V371 HydrophobicContact CD1-CG2 3.96Å; F240-V371 HydrophobicContact CE1-CG2 3.71Å; F240-V371 HydrophobicContact CE2-CG1 4.32Å; F240-V371 HydrophobicContact CE2-CG2 4.29Å; F240-V371 HydrophobicContact CG-CG2 4.36Å; F240-V371 HydrophobicContact CZ-CG2 3.89Å; V292-V371 HydrophobicContact CG2-CG1 3.98Å; F348-V371 PolarHBondContact O-N 3.37Å; F348-V371 VanDerWaalsContact O-N 3.07Å; W349-V371 HydrophobicContact CE3-CG2 3.73Å; W349-V371 HydrophobicContact CZ3-CG2 4.1Å; W349-V371 VanDerWaalsContact O-CB 3.31Å; W349-V371 WeakPolarHBondContact O-CB 3.45Å; V351-V371 PolarHBondContact N-O 3.25Å
372	I	96.1	Very high	86.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	133.8	-179.5	-58.6	80.1	0	0	0	108.6	I238 T239 A241 L353 F390 L393	I238-I372 CarbonylContact C-O 3.36Å; I238-I372 WeakPolarHBondContact CA-O 2.95Å; T239-I372 PolarHBondContact N-O 2.97Å; T239-I372 PolarHBondContact O-N 3.24Å; A241-I372 HydrophobicContact CB-CD1 4.14Å; L353-I372 HydrophobicContact CD1-CG2 3.44Å; L353-I372 VanDerWaalsContact CD1-CG2 3.44Å; L353-I372 HydrophobicContact CG-CG2 4.11Å; I372-F390 HydrophobicContact CG1-CD1 3.8Å; I372-F390 HydrophobicContact CG1-CE1 3.94Å; I372-F390 HydrophobicContact CG2-CD1 3.87Å; I372-F390 HydrophobicContact CG2-CE1 4.39Å; I372-F390 HydrophobicContact CG2-CG 4.39Å; I372-L393 HydrophobicContact CD1-CD2 3.6Å; I372-L393 HydrophobicContact CG1-CD2 4.32Å
373	H	96.6	Very high	86.6	Confident	2 Å²	2	57.7 Å²	57.7	1%	0.009	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	115.1	-175.2	-179.7	-168.3	0	0	0	111.6	D235 D237 I238 N289 G291 N350 V351 L353 N375	D235-H373 IonicContact OD2-CE1 3.85Å; D235-H373 IonicContact OD2-NE2 3.09Å; D237-H373 IonicContact OD1-CD2 3.96Å; D237-H373 PolarHBondContact OD1-CD2 3.06Å; D237-H373 VanDerWaalsContact OD1-CD2 3.28Å; D237-H373 IonicContact OD1-NE2 2.64Å; D237-H373 PolarHBondContact OD1-NE2 2.96Å; I238-H373 HydrophobicContact CG1-CB 4.12Å; N289-H373 PolarHBondContact OD1-CE1 2.92Å; N289-H373 PolarHBondContact OD1-ND1 3.39Å; N289-H373 VanDerWaalsContact OD1-ND1 3.13Å; G291-H373 VanDerWaalsContact CA-CE1 3.46Å; G291-H373 WeakPolarHBondContact CA-CE1 3.45Å; N350-H373 WeakPolarHBondContact OD1-CB 3.36Å; N350-H373 PolarHBondContact OD1-ND1 2.87Å; V351-H373 PolarHBondContact O-N 2.76Å; L353-H373 PolarHBondContact N-O 3.25Å; H373-N375 VanDerWaalsContact CE1-CB 3.49Å; H373-N375 WeakPolarHBondContact CE1-CB 3.16Å; H373-N375 WeakPolarHBondContact NE2-CB 3.36Å; H373-N375 PolarHBondContact O-N 3.35Å
374	W	94.8	Very high	86.7	Confident	4 Å²	4	57.9 Å²	57.9	2%	0.015	29%	0.29	C	S	.	.			trans	-82.7	54.5	177.7	-62.3	96.8	0	0	0	112.7	D237 L353 S376 K379 L380 V382 V387 F390 R391 Y394	D237-W374 HydrophobicContact CB-CB 4.41Å; D237-W374 PolarHBondContact O-N 3.16Å; D237-W374 VanDerWaalsContact O-N 3.12Å; D237-W374 VanDerWaalsContact OD2-O 3.08Å; L353-W374 HydrophobicContact CB-CE3 4.03Å; L353-W374 HydrophobicContact CB-CZ3 4.37Å; L353-W374 HydrophobicContact CD1-CD2 3.81Å; L353-W374 HydrophobicContact CD1-CE3 3.68Å; L353-W374 HydrophobicContact CD1-CH2 3.69Å; L353-W374 HydrophobicContact CD1-CZ2 3.82Å; L353-W374 HydrophobicContact CD1-CZ3 3.62Å; W374-S376 PolarHBondContact O-N 3.14Å; W374-S376 VanDerWaalsContact O-N 3.09Å; W374-K379 HydrophobicContact CB-CD 4.36Å; W374-K379 WeakPolarHBondContact O-CD 3.49Å; W374-K379 PolarHBondContact O-NZ 3.17Å; W374-L380 HydrophobicContact CD2-CD2 3.83Å; W374-L380 HydrophobicContact CE3-CD2 4.04Å; W374-L380 HydrophobicContact CH2-CD2 3.74Å; W374-L380 HydrophobicContact CZ2-CD2 3.49Å; W374-L380 VanDerWaalsContact CZ2-CD2 3.49Å; W374-L380 HydrophobicContact CZ3-CD2 4Å; W374-V382 HydrophobicContact CE3-CG2 4.1Å; W374-V382 HydrophobicContact CZ3-CG2 3.74Å; W374-V387 HydrophobicContact CH2-CG2 4.37Å; W374-V387 HydrophobicContact CZ3-CG2 4.37Å; W374-F390 HydrophobicContact CH2-CB 3.71Å; W374-F390 HydrophobicContact CZ2-CB 3.67Å; W374-R391 HydrophobicContact CH2-CG 3.86Å; W374-R391 HydrophobicContact CZ2-CG 4.49Å; W374-Y394 AromaticContact NE1-CD2 3.79Å
375	N	90.9	Very high	87	Confident	33 Å²	33	59.1 Å²	59.1	18%	0.176	28%	0.284	C	S	.	.			trans	-64.5	-17.6	-169.4	67.9	-31.1	0	0	0	114.9	L353 H373	L353-N375 VanDerWaalsContact C-OD1 3.23Å; L353-N375 PolarHBondContact N-OD1 3.41Å; L353-N375 VanDerWaalsContact N-OD1 3.14Å; L353-N375 PolarHBondContact O-OD1 3.39Å; H373-N375 VanDerWaalsContact CE1-CB 3.49Å; H373-N375 WeakPolarHBondContact CE1-CB 3.16Å; H373-N375 WeakPolarHBondContact NE2-CB 3.36Å; H373-N375 PolarHBondContact O-N 3.35Å
376	S	90.1	Very high	87.6	Confident	14 Å²	14	56.8 Å²	56.8	10%	0.098	27%	0.274	C	S	.	.	S	Bend	trans	-73.2	143.4	175.5	178.9	0	0	0	0	113.1	L353 W374 K378 K379 V382	L353-S376 WeakPolarHBondContact O-CB 3.26Å; W374-S376 PolarHBondContact O-N 3.14Å; W374-S376 VanDerWaalsContact O-N 3.09Å; S376-K378 PolarHBondContact O-N 3.34Å; S376-K378 VanDerWaalsContact O-N 3.1Å; S376-K378 PolarHBondContact OG-N 3.43Å; S376-K378 VanDerWaalsContact OG-N 3.15Å; S376-K379 WeakPolarHBondContact O-CD 3.38Å; S376-K379 PolarHBondContact O-N 3.38Å; S376-V382 VanDerWaalsContact CB-CG1 3.42Å; S376-V382 WeakPolarHBondContact OG-CG1 3.44Å
377	P	87.6	Confident	88.4	Confident	91 Å²	91	55.9 Å²	55.9	59%	0.591	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.6	168.2	-23.9	33.9	0	0	0	113.9	Y209 K379	Y209-P377 HydrophobicContact CD1-CG 4.08Å; Y209-P377 HydrophobicContact CE1-CG 4.04Å; P377-K379 PolarHBondContact O-N 3.48Å
378	K	88.7	Confident	89	Confident	105 Å²	105	57.3 Å²	57.3	46%	0.457	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-15.8	174.6	-64.5	-176.8	-177.8	177.7	0	112.4	D355 S376 L380 R381 V382	D355-K378 WeakPolarHBondContact OD2-CD 3.36Å; D355-K378 WeakPolarHBondContact OD2-CE 3.4Å; D355-K378 IonicContact OD2-NZ 2.69Å; D355-K378 PolarHBondContact OD2-NZ 2.75Å; S376-K378 PolarHBondContact O-N 3.34Å; S376-K378 VanDerWaalsContact O-N 3.1Å; S376-K378 PolarHBondContact OG-N 3.43Å; S376-K378 VanDerWaalsContact OG-N 3.15Å; K378-L380 PolarHBondContact O-N 3.43Å; K378-R381 HydrophobicContact CB-CB 4.27Å; K378-R381 VanDerWaalsContact O-CB 3.3Å; K378-R381 WeakPolarHBondContact O-CB 3.36Å; K378-R381 PolarHBondContact O-N 3.07Å; K378-V382 HydrophobicContact CB-CG1 3.93Å
379	K	90.8	Very high	89.5	Confident	63 Å²	63	56 Å²	56	27%	0.274	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	49	-124.6	-178.1	-56.7	-63.3	173.7	-160.8	0	110.4	Y209 D237 W374 S376 P377 R381 V382	Y209-K379 PolarHBondContact OH-NZ 2.98Å; D237-K379 IonicContact OD2-NZ 2.83Å; D237-K379 PolarHBondContact OD2-NZ 3.04Å; W374-K379 HydrophobicContact CB-CD 4.36Å; W374-K379 WeakPolarHBondContact O-CD 3.49Å; W374-K379 PolarHBondContact O-NZ 3.17Å; S376-K379 WeakPolarHBondContact O-CD 3.38Å; S376-K379 PolarHBondContact O-N 3.38Å; P377-K379 PolarHBondContact O-N 3.48Å; K379-R381 PolarHBondContact O-N 2.64Å; K379-V382 WeakPolarHBondContact O-CG1 3.4Å; K379-V382 PolarHBondContact O-N 2.65Å
380	L	89.3	Confident	89.8	Confident	50 Å²	50	55.7 Å²	55.7	26%	0.262	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-58.9	-15.5	179	-56.3	-179.2	0	0	0	113.9	W374 K378 V382 R391 Y394	W374-L380 HydrophobicContact CD2-CD2 3.83Å; W374-L380 HydrophobicContact CE3-CD2 4.04Å; W374-L380 HydrophobicContact CH2-CD2 3.74Å; W374-L380 HydrophobicContact CZ2-CD2 3.49Å; W374-L380 VanDerWaalsContact CZ2-CD2 3.49Å; W374-L380 HydrophobicContact CZ3-CD2 4Å; K378-L380 PolarHBondContact O-N 3.43Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.03Å; L380-R391 HydrophobicContact CD2-CG 4.42Å; L380-R391 PolarHBondContact O-NE 3.09Å; L380-R391 PolarHBondContact O-NH2 3.14Å; L380-Y394 HydrophobicContact CD1-CD1 3.84Å; L380-Y394 HydrophobicContact CD1-CE1 3.81Å; L380-Y394 HydrophobicContact CD2-CD1 3.69Å; L380-Y394 HydrophobicContact CD2-CE1 4.16Å; L380-Y394 HydrophobicContact CD2-CG 3.99Å; L380-Y394 HydrophobicContact CG-CD1 4.32Å; L380-Y394 HydrophobicContact CG-CE1 4.38Å
381	R	89	Confident	89.6	Confident	200 Å²	200	56.5 Å²	56.5	76%	0.755	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-86.6	7.3	-176.6	-62.6	178.2	-84.2	-178.6	-9.2	114.9	K378 K379	K378-R381 HydrophobicContact CB-CB 4.27Å; K378-R381 VanDerWaalsContact O-CB 3.3Å; K378-R381 WeakPolarHBondContact O-CB 3.36Å; K378-R381 PolarHBondContact O-N 3.07Å; K379-R381 PolarHBondContact O-N 2.64Å
382	V	89.6	Confident	89.3	Confident	2 Å²	2	60.6 Å²	60.6	1%	0.012	28%	0.28	C	S	.	.			trans	-66.6	158.6	175.7	-65.1	0	0	0	0	112.3	L353 D355 W374 S376 K378 K379 L380 V387 R391	L353-V382 HydrophobicContact CB-CG2 4.32Å; D355-V382 VanDerWaalsContact OD1-CA 3.31Å; D355-V382 WeakPolarHBondContact OD1-CA 3.05Å; W374-V382 HydrophobicContact CE3-CG2 4.1Å; W374-V382 HydrophobicContact CZ3-CG2 3.74Å; S376-V382 VanDerWaalsContact CB-CG1 3.42Å; S376-V382 WeakPolarHBondContact OG-CG1 3.44Å; K378-V382 HydrophobicContact CB-CG1 3.93Å; K379-V382 WeakPolarHBondContact O-CG1 3.4Å; K379-V382 PolarHBondContact O-N 2.65Å; L380-V382 VanDerWaalsContact C-N 3.33Å; L380-V382 PolarHBondContact O-N 3.03Å; V382-V387 HydrophobicContact CG2-CG2 4.3Å; V382-R391 PolarHBondContact O-NH2 2.84Å
383	K	86.4	Confident	89.1	Confident	172 Å²	172	61 Å²	61	75%	0.748	28%	0.282	S	S	*	.			trans	-96.8	121.3	170.9	-64.5	-175.8	179.5	-176.4	0	109.6	D355	D355-K383 PolarHBondContact OD1-N 2.68Å
384	N	85.8	Confident	89	Confident	24 Å²	24	62.4 Å²	62.4	13%	0.128	29%	0.288	C	S	.	.			trans	-149.8	148.4	175.5	-173.5	-81.3	0	0	0	109.6	S359 H386 V387	S359-N384 PolarHBondContact OG-ND2 2.82Å; N384-H386 PolarHBondContact O-N 3.33Å; N384-H386 PolarHBondContact OD1-N 3.31Å; N384-V387 HydrophobicContact CB-CB 3.93Å; N384-V387 HydrophobicContact CB-CG2 4.44Å; N384-V387 WeakPolarHBondContact O-CB 3.28Å; N384-V387 WeakPolarHBondContact O-CG1 3.3Å; N384-V387 PolarHBondContact O-N 3.13Å
385	K	83.1	Confident	88.9	Confident	158 Å²	158	65 Å²	65	69%	0.687	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-40	-179.8	-177	-179.6	174.5	-170.5	0	112.1
386	H	85.2	Confident	89	Confident	61 Å²	61	65.6 Å²	65.6	28%	0.282	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	24.1	-177.1	-57.5	-80.5	0	0	0	112.3	Y363 N384 E388 F389 F390	Y363-H386 AromaticContact CE2-CD2 3.75Å; Y363-H386 AromaticContact CZ-CD2 3.89Å; Y363-H386 PolarHBondContact OH-CD2 2.96Å; N384-H386 PolarHBondContact O-N 3.33Å; N384-H386 PolarHBondContact OD1-N 3.31Å; H386-E388 VanDerWaalsContact C-N 3.28Å; H386-E388 PolarHBondContact O-N 3.38Å; H386-F389 WeakPolarHBondContact O-CB 3.38Å; H386-F389 PolarHBondContact O-N 2.85Å; H386-F389 VanDerWaalsContact O-N 3.14Å; H386-F390 HydrophobicContact CB-CD2 4.32Å; H386-F390 HydrophobicContact CB-CE2 3.85Å; H386-F390 HydrophobicContact CB-CZ 4.49Å; H386-F390 WeakPolarHBondContact O-CD2 3.38Å; H386-F390 PolarHBondContact O-N 2.64Å
387	V	86.4	Confident	89.3	Confident	16 Å²	16	65 Å²	65	10%	0.097	30%	0.302	C	S	.	.	H	α-helix	trans	-58.4	-36.9	-172.7	73.4	0	0	0	0	113.5	W374 V382 N384 F389 F390 R391	W374-V387 HydrophobicContact CH2-CG2 4.37Å; W374-V387 HydrophobicContact CZ3-CG2 4.37Å; V382-V387 HydrophobicContact CG2-CG2 4.3Å; N384-V387 HydrophobicContact CB-CB 3.93Å; N384-V387 HydrophobicContact CB-CG2 4.44Å; N384-V387 WeakPolarHBondContact O-CB 3.28Å; N384-V387 WeakPolarHBondContact O-CG1 3.3Å; N384-V387 PolarHBondContact O-N 3.13Å; V387-F389 PolarHBondContact O-N 3.41Å; V387-F390 PolarHBondContact O-N 2.84Å; V387-R391 HydrophobicContact CG2-CG 4.26Å; V387-R391 WeakPolarHBondContact O-CB 3.46Å; V387-R391 VanDerWaalsContact O-CG 3.26Å; V387-R391 WeakPolarHBondContact O-CG 3.5Å; V387-R391 PolarHBondContact O-N 2.71Å
388	E	86.9	Confident	89.6	Confident	105 Å²	105	61.5 Å²	61.5	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-64.9	-40.1	179.9	-65.7	-53.6	136.8	0	0	111.7	H386 R391 N392	H386-E388 VanDerWaalsContact C-N 3.28Å; H386-E388 PolarHBondContact O-N 3.38Å; E388-R391 PolarHBondContact O-N 2.54Å; E388-R391 IonicContact OE1-CZ 3.15Å; E388-R391 IonicContact OE1-NH1 3.87Å; E388-R391 PolarHBondContact OE1-NH1 3.4Å; E388-N392 WeakPolarHBondContact O-CB 3.31Å; E388-N392 PolarHBondContact O-N 3.02Å; E388-N392 PolarHBondContact O-ND2 2.95Å
389	F	86.9	Confident	89.9	Confident	25 Å²	25	60.4 Å²	60.4	11%	0.11	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-50.2	174	169.3	-97.8	0	0	0	111.1	Q80 V366 L369 H386 V387 R391 N392 L393	Q80-F389 HydrophobicContact CG-CD2 4.43Å; Q80-F389 HydrophobicContact CG-CE2 3.6Å; Q80-F389 HydrophobicContact CG-CZ 4.26Å; V366-F389 HydrophobicContact CB-CZ 4.48Å; V366-F389 HydrophobicContact CG1-CD1 4.33Å; V366-F389 HydrophobicContact CG1-CD2 4.29Å; V366-F389 HydrophobicContact CG1-CE1 3.56Å; V366-F389 HydrophobicContact CG1-CE2 3.52Å; V366-F389 HydrophobicContact CG1-CZ 3.1Å; L369-F389 HydrophobicContact CD1-CD1 4.2Å; L369-F389 HydrophobicContact CD1-CE1 3.53Å; L369-F389 HydrophobicContact CD1-CZ 4.43Å; H386-F389 WeakPolarHBondContact O-CB 3.38Å; H386-F389 PolarHBondContact O-N 2.85Å; H386-F389 VanDerWaalsContact O-N 3.14Å; V387-F389 PolarHBondContact O-N 3.41Å; F389-R391 VanDerWaalsContact C-N 3.34Å; F389-R391 PolarHBondContact O-N 3.15Å; F389-N392 PolarHBondContact O-N 3.16Å; F389-L393 HydrophobicContact CZ-CD2 4.41Å; F389-L393 PolarHBondContact O-N 3.33Å
390	F	90.5	Very high	90.1	Very high	1 Å²	1	58.3 Å²	58.3	0%	0.004	27%	0.265	C	S	.	.	H	α-helix	trans	-61.7	-42	178.9	-63.8	-56.6	0	0	0	112.4	V351 L353 Y363 L369 I372 W374 H386 V387 L393 Y394	V351-F390 HydrophobicContact CG1-CZ 4.35Å; L353-F390 HydrophobicContact CD1-CB 3.79Å; L353-F390 HydrophobicContact CD1-CD1 4.3Å; L353-F390 HydrophobicContact CD1-CD2 3.86Å; L353-F390 HydrophobicContact CD1-CG 3.74Å; L353-F390 HydrophobicContact CD2-CD2 3.78Å; L353-F390 HydrophobicContact CD2-CE2 3.69Å; L353-F390 HydrophobicContact CD2-CG 4.38Å; L353-F390 HydrophobicContact CD2-CZ 4.18Å; Y363-F390 AromaticContact CE1-CZ 3.8Å; Y363-F390 HydrophobicContact CE1-CZ 3.8Å; Y363-F390 HydrophobicContact CE2-CZ 4.48Å; Y363-F390 AromaticContact CZ-CZ 3.66Å; Y363-F390 WeakPolarHBondContact OH-CE2 3.3Å; Y363-F390 WeakPolarHBondContact OH-CZ 3.5Å; L369-F390 HydrophobicContact CD1-CD1 4.44Å; L369-F390 HydrophobicContact CD1-CE1 3.54Å; L369-F390 HydrophobicContact CD1-CZ 4.17Å; L369-F390 HydrophobicContact CD2-CE1 4.11Å; L369-F390 HydrophobicContact CD2-CZ 4.44Å; I372-F390 HydrophobicContact CG1-CD1 3.8Å; I372-F390 HydrophobicContact CG1-CE1 3.94Å; I372-F390 HydrophobicContact CG2-CD1 3.87Å; I372-F390 HydrophobicContact CG2-CE1 4.39Å; I372-F390 HydrophobicContact CG2-CG 4.39Å; W374-F390 HydrophobicContact CH2-CB 3.71Å; W374-F390 HydrophobicContact CZ2-CB 3.67Å; H386-F390 HydrophobicContact CB-CD2 4.32Å; H386-F390 HydrophobicContact CB-CE2 3.85Å; H386-F390 HydrophobicContact CB-CZ 4.49Å; H386-F390 WeakPolarHBondContact O-CD2 3.38Å; H386-F390 PolarHBondContact O-N 2.64Å; V387-F390 PolarHBondContact O-N 2.84Å; F390-L393 PolarHBondContact O-N 3.02Å; F390-Y394 PolarHBondContact O-N 3.01Å
391	R	91.1	Very high	90.4	Very high	59 Å²	59	59 Å²	59	22%	0.223	27%	0.269	C	S	.	.	H	α-helix	trans	-59.9	-47.5	175.8	-77.3	174	-179.1	156.3	5.6	110.8	W374 L380 V382 V387 E388 F389 L393 Y394 L395	W374-R391 HydrophobicContact CH2-CG 3.86Å; W374-R391 HydrophobicContact CZ2-CG 4.49Å; L380-R391 HydrophobicContact CD2-CG 4.42Å; L380-R391 PolarHBondContact O-NE 3.09Å; L380-R391 PolarHBondContact O-NH2 3.14Å; V382-R391 PolarHBondContact O-NH2 2.84Å; V387-R391 HydrophobicContact CG2-CG 4.26Å; V387-R391 WeakPolarHBondContact O-CB 3.46Å; V387-R391 VanDerWaalsContact O-CG 3.26Å; V387-R391 WeakPolarHBondContact O-CG 3.5Å; V387-R391 PolarHBondContact O-N 2.71Å; E388-R391 PolarHBondContact O-N 2.54Å; E388-R391 IonicContact OE1-CZ 3.15Å; E388-R391 IonicContact OE1-NH1 3.87Å; E388-R391 PolarHBondContact OE1-NH1 3.4Å; F389-R391 VanDerWaalsContact C-N 3.34Å; F389-R391 PolarHBondContact O-N 3.15Å; R391-L393 VanDerWaalsContact C-N 3.34Å; R391-L393 PolarHBondContact O-N 2.8Å; R391-Y394 PolarHBondContact O-N 3.38Å; R391-L395 WeakPolarHBondContact O-CB 3.32Å; R391-L395 VanDerWaalsContact O-CG 3.23Å; R391-L395 WeakPolarHBondContact O-CG 3.47Å; R391-L395 PolarHBondContact O-N 2.8Å
392	N	90.4	Very high	90.7	Very high	85 Å²	85	49.5 Å²	49.5	46%	0.455	23%	0.234	S	C	.	.	H	α-helix	trans	-62.8	-40.6	-179.7	-70.4	-16	0	0	0	111.8	E388 F389 L395 T396	E388-N392 WeakPolarHBondContact O-CB 3.31Å; E388-N392 PolarHBondContact O-N 3.02Å; E388-N392 PolarHBondContact O-ND2 2.95Å; F389-N392 PolarHBondContact O-N 3.16Å; N392-L395 PolarHBondContact O-N 3.46Å; N392-T396 WeakPolarHBondContact O-CB 3.45Å; N392-T396 PolarHBondContact O-N 2.81Å; N392-T396 PolarHBondContact O-OG1 3.14Å
393	L	90.8	Very high	90.8	Very high	10 Å²	10	50 Å²	50	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-62.2	-46.6	174.6	-177.1	64.3	0	0	0	111.8	L76 T239 A241 I372 F389 F390 R391 T396 F397	L76-L393 HydrophobicContact CD2-CD1 4.05Å; T239-L393 HydrophobicContact CG2-CD2 4.49Å; T239-L393 HydrophobicContact CG2-CG 4.26Å; A241-L393 HydrophobicContact CB-CD2 4.29Å; I372-L393 HydrophobicContact CD1-CD2 3.6Å; I372-L393 HydrophobicContact CG1-CD2 4.32Å; F389-L393 HydrophobicContact CZ-CD2 4.41Å; F389-L393 PolarHBondContact O-N 3.33Å; F390-L393 PolarHBondContact O-N 3.02Å; R391-L393 VanDerWaalsContact C-N 3.34Å; R391-L393 PolarHBondContact O-N 2.8Å; L393-T396 WeakPolarHBondContact O-CB 3.32Å; L393-T396 PolarHBondContact O-N 3.43Å; L393-F397 HydrophobicContact CD1-CD2 4.41Å; L393-F397 HydrophobicContact CD1-CE2 3.81Å; L393-F397 HydrophobicContact CG-CE2 4.36Å; L393-F397 WeakPolarHBondContact O-CD2 3.21Å; L393-F397 PolarHBondContact O-N 2.92Å
394	Y	94.1	Very high	91.1	Very high	32 Å²	32	43.7 Å²	43.7	13%	0.125	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-47.4	175.9	174.3	-92.5	0	0	0	111.9	T148 W374 L380 F390 R391 T396 F397 L398	T148-Y394 HydrophobicContact CG2-CD2 3.87Å; T148-Y394 HydrophobicContact CG2-CE2 3.63Å; W374-Y394 AromaticContact NE1-CD2 3.79Å; L380-Y394 HydrophobicContact CD1-CD1 3.84Å; L380-Y394 HydrophobicContact CD1-CE1 3.81Å; L380-Y394 HydrophobicContact CD2-CD1 3.69Å; L380-Y394 HydrophobicContact CD2-CE1 4.16Å; L380-Y394 HydrophobicContact CD2-CG 3.99Å; L380-Y394 HydrophobicContact CG-CD1 4.32Å; L380-Y394 HydrophobicContact CG-CE1 4.38Å; F390-Y394 PolarHBondContact O-N 3.01Å; R391-Y394 PolarHBondContact O-N 3.38Å; Y394-T396 VanDerWaalsContact C-N 3.28Å; Y394-T396 PolarHBondContact O-N 2.63Å; Y394-F397 PolarHBondContact O-N 3.48Å; Y394-L398 HydrophobicContact CE1-CB 4.32Å; Y394-L398 HydrophobicContact CE1-CD1 4.33Å; Y394-L398 HydrophobicContact CE1-CD2 3.99Å; Y394-L398 HydrophobicContact CE1-CG 4.45Å; Y394-L398 WeakPolarHBondContact O-CB 3.34Å; Y394-L398 PolarHBondContact O-N 2.77Å
395	L	93.4	Very high	91.4	Very high	59 Å²	59	42.7 Å²	42.7	31%	0.309	21%	0.205	S	C	.	.	H	α-helix	trans	-63.1	-35.2	179.9	-71.5	174	0	0	0	111.9	R391 N392 F397 L398 E399	R391-L395 WeakPolarHBondContact O-CB 3.32Å; R391-L395 VanDerWaalsContact O-CG 3.23Å; R391-L395 WeakPolarHBondContact O-CG 3.47Å; R391-L395 PolarHBondContact O-N 2.8Å; N392-L395 PolarHBondContact O-N 3.46Å; L395-F397 PolarHBondContact O-N 3.2Å; L395-L398 HydrophobicContact CD2-CD2 3.88Å; L395-L398 WeakPolarHBondContact O-CB 3.48Å; L395-L398 PolarHBondContact O-N 3.48Å; L395-E399 WeakPolarHBondContact O-CB 3.22Å; L395-E399 PolarHBondContact O-N 3.49Å
396	T	92.9	Very high	91.7	Very high	46 Å²	46	37 Å²	37	28%	0.282	18%	0.18	S	C	.	.	H	α-helix	trans	-54.6	-53.3	173.8	-59.8	0	0	0	0	110.2	L76 N392 L393 Y394 E399 Y400	L76-T396 HydrophobicContact CD2-CG2 4.32Å; N392-T396 WeakPolarHBondContact O-CB 3.45Å; N392-T396 PolarHBondContact O-N 2.81Å; N392-T396 PolarHBondContact O-OG1 3.14Å; L393-T396 WeakPolarHBondContact O-CB 3.32Å; L393-T396 PolarHBondContact O-N 3.43Å; Y394-T396 VanDerWaalsContact C-N 3.28Å; Y394-T396 PolarHBondContact O-N 2.63Å; T396-E399 PolarHBondContact O-N 3.11Å; T396-Y400 WeakPolarHBondContact O-CA 3.13Å; T396-Y400 VanDerWaalsContact O-CB 3.25Å; T396-Y400 WeakPolarHBondContact O-CB 3.43Å; T396-Y400 PolarHBondContact O-N 3.28Å
397	F	95.7	Very high	91.3	Very high	1 Å²	1	39.5 Å²	39.5	0%	0.004	19%	0.186	C	C	.	.	H	α-helix	trans	-74.1	-28.7	-180	-68.2	-63.1	0	0	0	113.7	T148 K151 F155 H156 T239 L393 Y394 L395 E399	T148-F397 HydrophobicContact CG2-CB 3.92Å; K151-F397 WeakPolarHBondContact CD-O 3Å; K151-F397 PolarHBondContact NZ-O 3.01Å; F155-F397 HydrophobicContact CB-CD1 4.47Å; F155-F397 HydrophobicContact CB-CE1 3.66Å; F155-F397 HydrophobicContact CB-CZ 4.43Å; F155-F397 AromaticContact CD1-CE1 3.76Å; F155-F397 HydrophobicContact CD1-CE1 3.76Å; F155-F397 AromaticContact CD1-CZ 3.93Å; F155-F397 HydrophobicContact CD1-CZ 3.93Å; F155-F397 HydrophobicContact CD2-CE1 4.25Å; F155-F397 HydrophobicContact CE1-CE1 4.45Å; F155-F397 HydrophobicContact CE1-CZ 4.48Å; F155-F397 AromaticContact CG-CE1 3.64Å; F155-F397 HydrophobicContact CG-CE1 3.64Å; F155-F397 HydrophobicContact CG-CZ 4.28Å; H156-F397 AromaticContact NE2-CZ 3.7Å; T239-F397 HydrophobicContact CG2-CD2 3.61Å; T239-F397 HydrophobicContact CG2-CE2 4.03Å; L393-F397 HydrophobicContact CD1-CD2 4.41Å; L393-F397 HydrophobicContact CD1-CE2 3.81Å; L393-F397 HydrophobicContact CG-CE2 4.36Å; L393-F397 WeakPolarHBondContact O-CD2 3.21Å; L393-F397 PolarHBondContact O-N 2.92Å; Y394-F397 PolarHBondContact O-N 3.48Å; L395-F397 PolarHBondContact O-N 3.2Å; F397-E399 VanDerWaalsContact C-N 3.33Å
398	L	94.8	Very high	90.6	Very high	18 Å²	18	44.4 Å²	44.4	9%	0.094	21%	0.208	C	C	.	.	H	α-helix	trans	-60.3	-46.2	174	-174.3	71.6	0	0	0	110.6	T148 K151 Y394 L395 Q504	T148-L398 HydrophobicContact CG2-CB 4.42Å; T148-L398 VanDerWaalsContact OG1-CD1 3.26Å; T148-L398 WeakPolarHBondContact OG1-CD1 3.38Å; K151-L398 PolarHBondContact NZ-O 3.37Å; Y394-L398 HydrophobicContact CE1-CB 4.32Å; Y394-L398 HydrophobicContact CE1-CD1 4.33Å; Y394-L398 HydrophobicContact CE1-CD2 3.99Å; Y394-L398 HydrophobicContact CE1-CG 4.45Å; Y394-L398 WeakPolarHBondContact O-CB 3.34Å; Y394-L398 PolarHBondContact O-N 2.77Å; L395-L398 HydrophobicContact CD2-CD2 3.88Å; L395-L398 WeakPolarHBondContact O-CB 3.48Å; L395-L398 PolarHBondContact O-N 3.48Å; L398-Q504 HydrophobicContact CD1-CG 4.39Å; L398-Q504 HydrophobicContact CD2-CG 3.76Å; L398-Q504 HydrophobicContact CG-CG 3.74Å
399	E	95.1	Very high	89.9	Confident	81 Å²	81	43.3 Å²	43.3	38%	0.379	21%	0.205	S	C	.	.	H	α-helix	trans	-92.3	-11.9	-175.9	-61.1	-172.8	169.8	0	0	113.9	L395 T396 F397 D401 A501 Q504	L395-E399 WeakPolarHBondContact O-CB 3.22Å; L395-E399 PolarHBondContact O-N 3.49Å; T396-E399 PolarHBondContact O-N 3.11Å; F397-E399 VanDerWaalsContact C-N 3.33Å; E399-D401 PolarHBondContact O-N 2.92Å; E399-A501 HydrophobicContact CB-CB 4.12Å; E399-A501 HydrophobicContact CG-CB 4.24Å; E399-Q504 HydrophobicContact CG-CG 4.47Å
400	Y	95	Very high	89.4	Confident	19 Å²	19	43.6 Å²	43.6	8%	0.075	21%	0.207	C	C	.	.	S	Bend	trans	-55.9	133.8	177.7	-171	-95.7	0	0	0	111.4	N69 I72 K151 F155 T396 G402 L404 L405	N69-Y400 PolarHBondContact OD1-OH 3.31Å; N69-Y400 VanDerWaalsContact OD1-OH 3.07Å; I72-Y400 HydrophobicContact CD1-CE2 4.19Å; K151-Y400 WeakPolarHBondContact CE-O 3.34Å; K151-Y400 PolarHBondContact NZ-O 2.82Å; F155-Y400 HydrophobicContact CD2-CE1 4.35Å; F155-Y400 HydrophobicContact CD2-CE2 4.02Å; F155-Y400 AromaticContact CD2-CZ 3.8Å; F155-Y400 AromaticContact CE2-CE2 3.89Å; F155-Y400 HydrophobicContact CE2-CE2 3.89Å; F155-Y400 AromaticContact CE2-CZ 3.99Å; T396-Y400 WeakPolarHBondContact O-CA 3.13Å; T396-Y400 VanDerWaalsContact O-CB 3.25Å; T396-Y400 WeakPolarHBondContact O-CB 3.43Å; T396-Y400 PolarHBondContact O-N 3.28Å; Y400-G402 PolarHBondContact O-N 3.26Å; Y400-G402 VanDerWaalsContact O-N 3.1Å; Y400-L404 HydrophobicContact CE1-CB 4.05Å; Y400-L404 HydrophobicContact CE1-CD1 4.32Å; Y400-L404 HydrophobicContact CE2-CD1 4.31Å; Y400-L405 HydrophobicContact CD1-CD1 4.48Å; Y400-L405 HydrophobicContact CE1-CD1 4.36Å; Y400-L405 HydrophobicContact CE1-CD2 4.12Å; Y400-L405 HydrophobicContact CE1-CG 3.97Å
401	D	94.9	Very high	88.6	Confident	65 Å²	65	46 Å²	46	35%	0.348	23%	0.232	S	C	.	.			trans	-66.4	111.3	177.6	-177.7	-3.1	0	0	0	110.4	E399 N403 L404	E399-D401 PolarHBondContact O-N 2.92Å; D401-N403 PolarHBondContact O-N 3.06Å; D401-N403 VanDerWaalsContact OD1-CB 3.32Å; D401-N403 WeakPolarHBondContact OD1-CB 3.16Å; D401-N403 PolarHBondContact OD1-N 3.48Å; D401-N403 PolarHBondContact OD1-ND2 2.96Å; D401-L404 HydrophobicContact CB-CD1 4.1Å; D401-L404 HydrophobicContact CB-CG 4.09Å; D401-L404 PolarHBondContact O-N 2.81Å
402	G	95.1	Very high	88	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-61.1	-27.8	179.1	0	0	0	0	0	113.5	W182 Y400 L404 L405 D500	W182-G402 PolarHBondContact NE1-O 2.87Å; Y400-G402 PolarHBondContact O-N 3.26Å; Y400-G402 VanDerWaalsContact O-N 3.1Å; G402-L404 PolarHBondContact O-N 3.44Å; G402-L405 WeakPolarHBondContact O-CB 3.39Å; G402-L405 PolarHBondContact O-N 3.44Å; G402-L405 VanDerWaalsContact O-N 3.09Å; G402-D500 PolarHBondContact N-OD2 2.91Å
403	N	93.2	Very high	87	Confident	13 Å²	13	46.1 Å²	46.1	7%	0.07	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-65.3	-27.2	-177.9	-65.3	-40.3	0	0	0	112.1	D401 L405 R406 K529	D401-N403 PolarHBondContact O-N 3.06Å; D401-N403 VanDerWaalsContact OD1-CB 3.32Å; D401-N403 WeakPolarHBondContact OD1-CB 3.16Å; D401-N403 PolarHBondContact OD1-N 3.48Å; D401-N403 PolarHBondContact OD1-ND2 2.96Å; N403-L405 PolarHBondContact O-N 3.22Å; N403-R406 WeakPolarHBondContact O-CB 3.29Å; N403-R406 PolarHBondContact O-N 3.41Å; N403-R406 VanDerWaalsContact O-N 3.12Å; N403-R406 PolarHBondContact OD1-NH2 3.35Å; N403-R406 VanDerWaalsContact OD1-NH2 3.1Å; N403-K529 PolarHBondContact ND2-O 2.96Å; N403-K529 VanDerWaalsContact ND2-O 3.12Å
404	L	92	Very high	85.7	Confident	39 Å²	39	48.4 Å²	48.4	20%	0.204	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.6	175.4	-61.6	177.7	0	0	0	112.7	Y400 D401 G402 R406 R407	Y400-L404 HydrophobicContact CE1-CB 4.05Å; Y400-L404 HydrophobicContact CE1-CD1 4.32Å; Y400-L404 HydrophobicContact CE2-CD1 4.31Å; D401-L404 HydrophobicContact CB-CD1 4.1Å; D401-L404 HydrophobicContact CB-CG 4.09Å; D401-L404 PolarHBondContact O-N 2.81Å; G402-L404 PolarHBondContact O-N 3.44Å; L404-R406 VanDerWaalsContact C-N 3.26Å; L404-R406 PolarHBondContact O-N 3.05Å; L404-R407 PolarHBondContact O-N 3.28Å
405	L	92.6	Very high	84.4	Confident	4 Å²	4	56.3 Å²	56.3	2%	0.021	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-78.1	-7.2	179.9	-62.7	168.5	0	0	0	113.7	K151 L154 F155 W182 V184 Y400 G402 N403 R407	K151-L405 HydrophobicContact CB-CD1 4.19Å; K151-L405 HydrophobicContact CG-CD1 3.99Å; L154-L405 HydrophobicContact CB-CD1 3.94Å; L154-L405 HydrophobicContact CB-CD2 4.07Å; L154-L405 HydrophobicContact CB-CG 4.45Å; L154-L405 HydrophobicContact CD1-CD1 4.23Å; F155-L405 HydrophobicContact CB-CD2 4.34Å; W182-L405 HydrophobicContact CH2-CD1 4.45Å; W182-L405 HydrophobicContact CZ2-CD1 3.72Å; V184-L405 WeakPolarHBondContact CG1-O 3.48Å; Y400-L405 HydrophobicContact CD1-CD1 4.48Å; Y400-L405 HydrophobicContact CE1-CD1 4.36Å; Y400-L405 HydrophobicContact CE1-CD2 4.12Å; Y400-L405 HydrophobicContact CE1-CG 3.97Å; G402-L405 WeakPolarHBondContact O-CB 3.39Å; G402-L405 PolarHBondContact O-N 3.44Å; G402-L405 VanDerWaalsContact O-N 3.09Å; N403-L405 PolarHBondContact O-N 3.22Å; L405-R407 PolarHBondContact O-N 2.76Å
406	R	88	Confident	83.3	Confident	39 Å²	39	56.4 Å²	56.4	15%	0.147	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-71.5	-15.3	172	-67.9	-171.1	-172.7	148.4	5.2	113.4	S181 W182 P185 N403 L404 V446 E530	S181-R406 PolarHBondContact O-NH2 2.97Å; W182-R406 VanDerWaalsContact O-CD 3.31Å; W182-R406 WeakPolarHBondContact O-CD 3.13Å; W182-R406 WeakPolarHBondContact O-CG 3.26Å; W182-R406 PolarHBondContact O-NE 3.4Å; P185-R406 WeakPolarHBondContact CD-O 3.21Å; P185-R406 WeakPolarHBondContact CG-O 3.46Å; N403-R406 WeakPolarHBondContact O-CB 3.29Å; N403-R406 PolarHBondContact O-N 3.41Å; N403-R406 VanDerWaalsContact O-N 3.12Å; N403-R406 PolarHBondContact OD1-NH2 3.35Å; N403-R406 VanDerWaalsContact OD1-NH2 3.1Å; L404-R406 VanDerWaalsContact C-N 3.26Å; L404-R406 PolarHBondContact O-N 3.05Å; R406-V446 PolarHBondContact NH1-O 3.36Å; R406-V446 PolarHBondContact NH2-O 3.09Å; R406-E530 IonicContact CZ-OE2 3.41Å; R406-E530 IonicContact NH1-OE1 3.31Å; R406-E530 PolarHBondContact NH1-OE1 3.24Å; R406-E530 IonicContact NH1-OE2 3.74Å; R406-E530 PolarHBondContact NH1-OE2 3.01Å; R406-E530 IonicContact NH2-OE2 3.81Å
407	R	78.3	Confident	82.7	Confident	113 Å²	113	56.1 Å²	56.1	43%	0.426	31%	0.309	S	S	.	.	S	Bend	trans	-74.3	135.9	179.4	-59.1	-176.4	-173.7	-163.9	8.5	109.5	L404 L405 L409	L404-R407 PolarHBondContact O-N 3.28Å; L405-R407 PolarHBondContact O-N 2.76Å; R407-L409 PolarHBondContact O-N 3.38Å
408	E	70.7	Confident	82.1	Confident	118 Å²	118	60.5 Å²	60.5	55%	0.551	34%	0.338	S	S	*	.			trans	-69.8	119.2	175.8	-169	173.9	-178.8	0	0	109.4
409	L	71.7	Confident	81.6	Confident	83 Å²	83	64.1 Å²	64.1	44%	0.435	35%	0.354	S	S	.	.			trans	-95.7	-16.2	-175.4	-64.4	176.1	0	0	0	113.1	R407	R407-L409 PolarHBondContact O-N 3.38Å
410	F	77.1	Confident	81.1	Confident	31 Å²	31	62.1 Å²	62.1	14%	0.136	35%	0.349	C	S	.	.	S	Bend	trans	-157.3	136	-176.9	54.9	-85.1	0	0	0	109.5	R157 R158 N159 C412	R157-F410 HydrophobicContact CG-CE1 3.82Å; R158-F410 WeakPolarHBondContact O-CD2 3.48Å; R158-F410 WeakPolarHBondContact O-CG 3.5Å; N159-F410 VanDerWaalsContact O-CZ 3.31Å; N159-F410 WeakPolarHBondContact O-CZ 3.39Å; F410-C412 HydrophobicContact CD2-CB 4.23Å; F410-C412 VanDerWaalsContact CD2-SG 3.53Å; F410-C412 HydrophobicContact CE2-CB 4.22Å; F410-C412 PolarHBondContact O-N 2.79Å
411	G	73.4	Confident	80.7	Confident	52 Å²	52	65 Å²	65	54%	0.536	37%	0.369	S	S	.	.			trans	-76.8	107.9	179.2	0	0	0	0	0	111.8
412	C	79	Confident	80.4	Confident	11 Å²	11	70.9 Å²	70.9	7%	0.074	39%	0.386	C	S	.	.			trans	-127.5	142.3	168.8	-77.6	0	0	0	0	110.1	C128 F410 S414	C128-C412 WeakPolarHBondContact CA-SG 3.42Å; C128-C412 HydrophobicContact CB-CB 3.79Å; C128-C412 WeakPolarHBondContact CB-SG 3.36Å; C128-C412 WeakPolarHBondContact SG-CA 3.41Å; C128-C412 WeakPolarHBondContact SG-CB 2.99Å; C128-C412 CovalentContact SG-SG 2.03Å; C128-C412 PolarHBondContact SG-SG 3.41Å; F410-C412 HydrophobicContact CD2-CB 4.23Å; F410-C412 VanDerWaalsContact CD2-SG 3.53Å; F410-C412 HydrophobicContact CE2-CB 4.22Å; F410-C412 PolarHBondContact O-N 2.79Å; C412-S414 PolarHBondContact O-N 3.18Å
413	P	68.5	Low	80.1	Confident	134 Å²	134	72.7 Å²	72.7	87%	0.87	40%	0.395	S	S	*	.			trans	-63.8	100.1	173.4	-11.2	25.1	0	0	0	108.3
414	S	65.3	Low	79.9	Confident	59 Å²	59	76.9 Å²	76.9	41%	0.413	41%	0.414	S	S	.	.			trans	-116	140.4	175.5	72.4	0	0	0	0	108.9	S186 C412 A416	S186-S414 WeakPolarHBondContact OG-CB 3.46Å; S186-S414 PolarHBondContact OG-OG 3.48Å; C412-S414 PolarHBondContact O-N 3.18Å; S414-A416 PolarHBondContact O-N 2.64Å
415	Q	66.3	Low	79.8	Confident	198 Å²	198	76.9 Å²	76.9	93%	0.925	42%	0.42	S	S	*	.			trans	-70.6	114.9	169.2	-70.3	-174.7	-5.7	0	0	107.3	S417	Q415-S417 PolarHBondContact O-N 2.7Å
416	A	70.4	Confident	79.8	Confident	60 Å²	60	78 Å²	78	50%	0.496	43%	0.43	S	S	.	.			trans	-56.3	138	170.4	0	0	0	0	0	109	S414 V421	S414-A416 PolarHBondContact O-N 2.64Å; A416-V421 HydrophobicContact CB-CG2 3.51Å
417	S	79.6	Confident	79.9	Confident	41 Å²	41	79.2 Å²	79.2	29%	0.287	44%	0.439	S	S	.	.			trans	-65.2	149.9	176.5	76.1	0	0	0	0	109.2	Q415 E419 S420 V421	Q415-S417 PolarHBondContact O-N 2.7Å; S417-E419 PolarHBondContact O-N 3.24Å; S417-E419 VanDerWaalsContact O-N 3.08Å; S417-S420 PolarHBondContact N-OG 2.77Å; S417-S420 PolarHBondContact O-N 3.44Å; S417-S420 PolarHBondContact O-OG 3.23Å; S417-S420 PolarHBondContact OG-N 3.22Å; S417-S420 VanDerWaalsContact OG-N 3.09Å; S417-S420 PolarHBondContact OG-OG 2.79Å; S417-V421 WeakPolarHBondContact O-CG2 3.3Å; S417-V421 PolarHBondContact O-N 2.93Å
418	P	83.8	Confident	80.5	Confident	93 Å²	93	80.4 Å²	80.4	60%	0.604	45%	0.45	S	S	*	.	H	α-helix	trans	-54.3	-31.5	175.7	-26.7	34.9	0	0	0	112.7	R422	P418-R422 WeakPolarHBondContact O-CB 3.17Å; P418-R422 VanDerWaalsContact O-CG 3.24Å; P418-R422 WeakPolarHBondContact O-CG 3.3Å; P418-R422 PolarHBondContact O-N 2.88Å; P418-R422 VanDerWaalsContact O-N 3.15Å
419	E	84.9	Confident	81.6	Confident	93 Å²	93	82.7 Å²	82.7	44%	0.435	46%	0.46	S	S	.	.	H	α-helix	trans	-70.3	-44.5	177.3	-64.7	141.9	157.4	0	0	111.6	S417 R422 L423	S417-E419 PolarHBondContact O-N 3.24Å; S417-E419 VanDerWaalsContact O-N 3.08Å; E419-R422 PolarHBondContact O-N 2.96Å; E419-L423 WeakPolarHBondContact O-CB 3.43Å; E419-L423 PolarHBondContact O-N 2.94Å
420	S	84	Confident	82.5	Confident	40 Å²	40	80.2 Å²	80.2	28%	0.28	45%	0.447	S	S	.	.	H	α-helix	trans	-67	-37.6	177.8	66.2	0	0	0	0	112.1	S417 L423 Q424	S417-S420 PolarHBondContact N-OG 2.77Å; S417-S420 PolarHBondContact O-N 3.44Å; S417-S420 PolarHBondContact O-OG 3.23Å; S417-S420 PolarHBondContact OG-N 3.22Å; S417-S420 VanDerWaalsContact OG-N 3.09Å; S417-S420 PolarHBondContact OG-OG 2.79Å; S420-L423 PolarHBondContact O-N 3.33Å; S420-Q424 WeakPolarHBondContact O-CB 3.37Å; S420-Q424 PolarHBondContact O-N 3.05Å
421	V	86.5	Confident	83.2	Confident	80 Å²	80	83.2 Å²	83.2	49%	0.485	47%	0.465	S	S	.	.	H	α-helix	trans	-63.7	-45.4	176	175.7	0	0	0	0	111	A416 S417 Q424 A425	A416-V421 HydrophobicContact CB-CG2 3.51Å; S417-V421 WeakPolarHBondContact O-CG2 3.3Å; S417-V421 PolarHBondContact O-N 2.93Å; V421-Q424 PolarHBondContact O-N 3.47Å; V421-A425 PolarHBondContact O-N 3.33Å
422	R	88.5	Confident	84	Confident	188 Å²	188	87.3 Å²	87.3	71%	0.709	47%	0.47	S	S	*	.	H	α-helix	trans	-63.7	-41.1	176.8	-74.4	173.5	-176.6	-179.9	1.9	112.2	P418 E419 A426	P418-R422 WeakPolarHBondContact O-CB 3.17Å; P418-R422 VanDerWaalsContact O-CG 3.24Å; P418-R422 WeakPolarHBondContact O-CG 3.3Å; P418-R422 PolarHBondContact O-N 2.88Å; P418-R422 VanDerWaalsContact O-N 3.15Å; E419-R422 PolarHBondContact O-N 2.96Å; R422-A426 WeakPolarHBondContact O-CB 3.17Å; R422-A426 PolarHBondContact O-N 3.09Å
423	L	89.1	Confident	84.5	Confident	37 Å²	37	93.9 Å²	93.9	19%	0.194	50%	0.504	C	S	.	.	H	α-helix	trans	-63.2	-45.7	177	176.7	61.1	0	0	0	111.2	M183 E419 S420 A426 L427 L444 V446	M183-L423 HydrophobicContact CE-CD2 3.72Å; M183-L423 HydrophobicContact SD-CD2 4.48Å; E419-L423 WeakPolarHBondContact O-CB 3.43Å; E419-L423 PolarHBondContact O-N 2.94Å; S420-L423 PolarHBondContact O-N 3.33Å; L423-A426 PolarHBondContact O-N 3.26Å; L423-L427 HydrophobicContact CD1-CD1 4.09Å; L423-L427 HydrophobicContact CD1-CG 4.19Å; L423-L427 HydrophobicContact CG-CD1 3.97Å; L423-L427 HydrophobicContact CG-CG 4.49Å; L423-L427 WeakPolarHBondContact O-CG 3.24Å; L423-L427 PolarHBondContact O-N 3.44Å; L423-L444 HydrophobicContact CD1-CB 4.16Å; L423-L444 VanDerWaalsContact CD1-O 3.26Å; L423-L444 WeakPolarHBondContact CD1-O 3.43Å; L423-V446 HydrophobicContact CD1-CG2 4.36Å; L423-V446 HydrophobicContact CD2-CG2 3.9Å
424	Q	87.5	Confident	85.6	Confident	101 Å²	101	89 Å²	89	47%	0.472	47%	0.471	S	S	.	.	H	α-helix	trans	-60.4	-47.6	178.4	-175.5	61.3	29.3	0	0	111.3	S420 V421 A426 L427 E428	S420-Q424 WeakPolarHBondContact O-CB 3.37Å; S420-Q424 PolarHBondContact O-N 3.05Å; V421-Q424 PolarHBondContact O-N 3.47Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-A426 PolarHBondContact O-N 2.73Å; Q424-L427 PolarHBondContact O-N 3.09Å; Q424-E428 WeakPolarHBondContact CG-OE1 3.2Å; Q424-E428 PolarHBondContact NE2-OE1 3.24Å; Q424-E428 WeakPolarHBondContact O-CG 3.17Å; Q424-E428 PolarHBondContact O-N 2.87Å
425	A	91.4	Very high	86.8	Confident	40 Å²	40	93 Å²	93	33%	0.331	48%	0.483	S	S	.	.	H	α-helix	trans	-58.9	-43.9	175.6	0	0	0	0	0	112.1	V421 L427 E428 E429	V421-A425 PolarHBondContact O-N 3.33Å; A425-L427 VanDerWaalsContact C-N 3.31Å; A425-L427 PolarHBondContact O-N 3.37Å; A425-E428 PolarHBondContact O-N 3.31Å; A425-E429 WeakPolarHBondContact O-CG 3.1Å; A425-E429 PolarHBondContact O-N 2.91Å; A425-E429 VanDerWaalsContact O-N 3.07Å
426	A	91.6	Very high	88.1	Confident	28 Å²	28	83.7 Å²	83.7	23%	0.231	44%	0.44	C	S	.	.	H	α-helix	trans	-65.6	-32.4	178	0	0	0	0	0	113.2	R422 L423 Q424 L444	R422-A426 WeakPolarHBondContact O-CB 3.17Å; R422-A426 PolarHBondContact O-N 3.09Å; L423-A426 PolarHBondContact O-N 3.26Å; Q424-A426 VanDerWaalsContact C-N 3.33Å; Q424-A426 PolarHBondContact O-N 2.73Å; A426-L444 HydrophobicContact CB-CD1 3.9Å; A426-L444 HydrophobicContact CB-CD2 4.04Å; A426-L444 WeakPolarHBondContact O-CD1 3.46Å
427	L	90.6	Very high	89.2	Confident	63 Å²	63	82.7 Å²	82.7	33%	0.33	42%	0.424	S	S	.	.	H	α-helix	trans	-72.9	-37.9	175.1	-72.8	167.8	0	0	0	111.8	L423 Q424 A425 E429 L430 L444	L423-L427 HydrophobicContact CD1-CD1 4.09Å; L423-L427 HydrophobicContact CD1-CG 4.19Å; L423-L427 HydrophobicContact CG-CD1 3.97Å; L423-L427 HydrophobicContact CG-CG 4.49Å; L423-L427 WeakPolarHBondContact O-CG 3.24Å; L423-L427 PolarHBondContact O-N 3.44Å; Q424-L427 PolarHBondContact O-N 3.09Å; A425-L427 VanDerWaalsContact C-N 3.31Å; A425-L427 PolarHBondContact O-N 3.37Å; L427-E429 VanDerWaalsContact C-N 3.28Å; L427-E429 PolarHBondContact O-N 3.28Å; L427-L430 HydrophobicContact CD2-CD1 4.24Å; L427-L430 WeakPolarHBondContact O-CB 3.26Å; L427-L430 PolarHBondContact O-N 3.41Å; L427-L444 HydrophobicContact CD2-CB 4.12Å; L427-L444 HydrophobicContact CD2-CD1 3.94Å; L427-L444 HydrophobicContact CG-CD1 4.28Å
428	E	91.4	Very high	89.7	Confident	139 Å²	139	84.8 Å²	84.8	65%	0.65	43%	0.431	S	S	*	.	H	α-helix	trans	-68.6	-25.8	176.4	-72.9	169	-173.8	0	0	112.8	Q424 A425 L430	Q424-E428 WeakPolarHBondContact CG-OE1 3.2Å; Q424-E428 PolarHBondContact NE2-OE1 3.24Å; Q424-E428 WeakPolarHBondContact O-CG 3.17Å; Q424-E428 PolarHBondContact O-N 2.87Å; A425-E428 PolarHBondContact O-N 3.31Å; E428-L430 VanDerWaalsContact C-N 3.27Å; E428-L430 PolarHBondContact O-N 2.81Å
429	E	92.8	Very high	90.2	Very high	165 Å²	165	80.8 Å²	80.8	77%	0.771	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-9.3	173.8	-74.8	177	-173.6	0	0	113.7	A425 L427 D431	A425-E429 WeakPolarHBondContact O-CG 3.1Å; A425-E429 PolarHBondContact O-N 2.91Å; A425-E429 VanDerWaalsContact O-N 3.07Å; L427-E429 VanDerWaalsContact C-N 3.28Å; L427-E429 PolarHBondContact O-N 3.28Å; E429-D431 PolarHBondContact O-N 2.66Å
430	L	91.7	Very high	90.6	Very high	31 Å²	31	80.1 Å²	80.1	16%	0.162	40%	0.398	C	S	.	.			trans	-74.9	126.2	178.4	-67.5	-177.7	0	0	0	111.4	L427 E428 E432 Y437 R440 R441 L444	L427-L430 HydrophobicContact CD2-CD1 4.24Å; L427-L430 WeakPolarHBondContact O-CB 3.26Å; L427-L430 PolarHBondContact O-N 3.41Å; E428-L430 VanDerWaalsContact C-N 3.27Å; E428-L430 PolarHBondContact O-N 2.81Å; L430-E432 PolarHBondContact O-N 3.44Å; L430-Y437 HydrophobicContact CB-CD2 4.23Å; L430-Y437 HydrophobicContact CB-CE2 3.99Å; L430-Y437 HydrophobicContact CD1-CE2 4.25Å; L430-R440 HydrophobicContact CD2-CB 3.77Å; L430-R441 HydrophobicContact CD1-CB 3.94Å; L430-R441 HydrophobicContact CD1-CG 4.48Å; L430-L444 HydrophobicContact CD1-CD1 3.91Å; L430-L444 HydrophobicContact CD2-CD1 4.23Å; L430-L444 HydrophobicContact CG-CD1 4.08Å
431	D	91.6	Very high	91	Very high	95 Å²	95	84 Å²	84	51%	0.508	41%	0.407	S	S	.	.			trans	-77.4	113.2	170.4	-178.2	3.5	0	0	0	110.2	E429 D433 D434 Y437	E429-D431 PolarHBondContact O-N 2.66Å; D431-D433 PolarHBondContact O-N 3.3Å; D431-D433 PolarHBondContact OD1-N 2.74Å; D431-D434 HydrophobicContact CB-CB 4.2Å; D431-D434 WeakPolarHBondContact O-CB 3.39Å; D431-D434 PolarHBondContact O-N 2.67Å; D431-D434 VanDerWaalsContact O-N 3.16Å; D431-Y437 WeakPolarHBondContact O-CD2 3.38Å
432	E	89.1	Confident	91.2	Very high	137 Å²	137	80.7 Å²	80.7	64%	0.64	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-22	179.5	-60.2	-159.2	148.4	0	0	113.2	L430 D434 Y437	L430-E432 PolarHBondContact O-N 3.44Å; E432-D434 VanDerWaalsContact C-N 3.3Å; E432-Y437 HydrophobicContact CB-CE2 4.32Å; E432-Y437 HydrophobicContact CG-CD2 4.5Å; E432-Y437 HydrophobicContact CG-CE2 3.86Å
433	D	90.1	Very high	91.3	Very high	149 Å²	149	77.7 Å²	77.7	80%	0.797	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.1	177	-70.7	-37.2	0	0	0	112.6	D431 Q435	D431-D433 PolarHBondContact O-N 3.3Å; D431-D433 PolarHBondContact OD1-N 2.74Å; D433-Q435 PolarHBondContact O-N 3.05Å
434	D	91.2	Very high	91.5	Very high	33 Å²	33	78 Å²	78	18%	0.176	38%	0.376	C	S	.	.			trans	-65.4	128.5	175.4	178.2	16.4	0	0	0	111.4	D431 E432 C436 Y437 R440	D431-D434 HydrophobicContact CB-CB 4.2Å; D431-D434 WeakPolarHBondContact O-CB 3.39Å; D431-D434 PolarHBondContact O-N 2.67Å; D431-D434 VanDerWaalsContact O-N 3.16Å; E432-D434 VanDerWaalsContact C-N 3.3Å; D434-C436 PolarHBondContact O-N 3.24Å; D434-C436 VanDerWaalsContact O-N 3.07Å; D434-C436 PolarHBondContact OD1-N 3.13Å; D434-Y437 WeakPolarHBondContact O-CB 3.47Å; D434-Y437 PolarHBondContact O-N 2.83Å; D434-R440 WeakPolarHBondContact OD2-CD 2.9Å; D434-R440 IonicContact OD2-CZ 2.57Å; D434-R440 IonicContact OD2-NE 2.96Å; D434-R440 PolarHBondContact OD2-NE 3.35Å; D434-R440 VanDerWaalsContact OD2-NE 3.11Å; D434-R440 IonicContact OD2-NH1 2.7Å; D434-R440 PolarHBondContact OD2-NH1 3.12Å; D434-R440 IonicContact OD2-NH2 2.88Å
435	Q	89.9	Confident	91.6	Very high	143 Å²	143	74.5 Å²	74.5	67%	0.668	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-22.8	174.6	-61.9	-177.2	22.8	0	0	113	D433	D433-Q435 PolarHBondContact O-N 3.05Å
436	C	94.1	Very high	91.7	Very high	2 Å²	2	74.9 Å²	74.9	1%	0.014	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.7	175.6	-84.7	0	0	0	0	114.9	D434 D438 F439 R440 C740	D434-C436 PolarHBondContact O-N 3.24Å; D434-C436 VanDerWaalsContact O-N 3.07Å; D434-C436 PolarHBondContact OD1-N 3.13Å; C436-D438 VanDerWaalsContact C-N 3.29Å; C436-D438 PolarHBondContact O-N 3.46Å; C436-D438 VanDerWaalsContact O-N 3.17Å; C436-F439 PolarHBondContact O-N 3.28Å; C436-R440 HydrophobicContact CB-CG 4.4Å; C436-R440 PolarHBondContact O-N 3.12Å; C436-C740 WeakPolarHBondContact CA-SG 3.32Å; C436-C740 HydrophobicContact CB-CB 4.2Å; C436-C740 WeakPolarHBondContact CB-SG 3.16Å; C436-C740 WeakPolarHBondContact SG-CA 3.24Å; C436-C740 WeakPolarHBondContact SG-CB 3.5Å; C436-C740 CovalentContact SG-SG 2.04Å; C436-C740 PolarHBondContact SG-SG 3.39Å
437	Y	92.9	Very high	91.9	Very high	39 Å²	39	73.9 Å²	73.9	15%	0.153	35%	0.35	C	S	.	.	H	α-helix	trans	-48	-48.6	-175.3	174.5	-95.4	0	0	0	112.9	L430 D431 E432 D434 F439 R440 R441	L430-Y437 HydrophobicContact CB-CD2 4.23Å; L430-Y437 HydrophobicContact CB-CE2 3.99Å; L430-Y437 HydrophobicContact CD1-CE2 4.25Å; D431-Y437 WeakPolarHBondContact O-CD2 3.38Å; E432-Y437 HydrophobicContact CB-CE2 4.32Å; E432-Y437 HydrophobicContact CG-CD2 4.5Å; E432-Y437 HydrophobicContact CG-CE2 3.86Å; D434-Y437 WeakPolarHBondContact O-CB 3.47Å; D434-Y437 PolarHBondContact O-N 2.83Å; Y437-F439 VanDerWaalsContact C-N 3.32Å; Y437-F439 PolarHBondContact O-N 3.46Å; Y437-R440 PolarHBondContact O-N 2.75Å; Y437-R440 VanDerWaalsContact O-N 3.16Å; Y437-R441 HydrophobicContact CE1-CB 4.42Å; Y437-R441 VanDerWaalsContact O-CB 3.26Å; Y437-R441 WeakPolarHBondContact O-CB 3.45Å; Y437-R441 PolarHBondContact O-N 3.37Å; Y437-R441 PolarHBondContact OH-NH1 2.93Å; Y437-R441 VanDerWaalsContact OH-NH1 3.14Å
438	D	91.3	Very high	92.3	Very high	84 Å²	84	70.9 Å²	70.9	45%	0.449	33%	0.334	S	S	.	.	H	α-helix	trans	-60.2	-38.6	-178.1	-72.6	-29.9	0	0	0	112.9	C436 E442 F533	C436-D438 VanDerWaalsContact C-N 3.29Å; C436-D438 PolarHBondContact O-N 3.46Å; C436-D438 VanDerWaalsContact O-N 3.17Å; D438-E442 WeakPolarHBondContact O-CB 3.33Å; D438-E442 PolarHBondContact O-N 3.39Å; D438-F533 HydrophobicContact CB-CE2 3.84Å; D438-F533 HydrophobicContact CB-CZ 4.11Å
439	F	93.2	Very high	92.6	Very high	9 Å²	9	64.9 Å²	64.9	4%	0.039	31%	0.308	C	S	.	.	H	α-helix	trans	-70.9	-43.3	176.3	-81.5	-108.6	0	0	0	111.5	C436 Y437 E442 R443 F533 V689 Y737 C740 L744	C436-F439 PolarHBondContact O-N 3.28Å; Y437-F439 VanDerWaalsContact C-N 3.32Å; Y437-F439 PolarHBondContact O-N 3.46Å; F439-E442 PolarHBondContact O-N 2.83Å; F439-R443 PolarHBondContact O-N 2.82Å; F439-F533 HydrophobicContact CD2-CE2 4.48Å; F439-F533 HydrophobicContact CD2-CZ 4.27Å; F439-F533 HydrophobicContact CE2-CE1 4.5Å; F439-F533 HydrophobicContact CE2-CZ 4.16Å; F439-V689 HydrophobicContact CD1-CG2 3.47Å; F439-V689 VanDerWaalsContact CD1-CG2 3.47Å; F439-V689 HydrophobicContact CE1-CG2 3.91Å; F439-V689 HydrophobicContact CG-CG2 4.07Å; F439-Y737 HydrophobicContact CE1-CE2 4.24Å; F439-Y737 AromaticContact CE2-CD2 3.8Å; F439-Y737 HydrophobicContact CE2-CD2 3.8Å; F439-Y737 AromaticContact CE2-CE2 3.89Å; F439-Y737 HydrophobicContact CE2-CE2 3.89Å; F439-Y737 HydrophobicContact CE2-CG 4.24Å; F439-Y737 HydrophobicContact CZ-CD1 4.09Å; F439-Y737 AromaticContact CZ-CD2 3.62Å; F439-Y737 HydrophobicContact CZ-CD2 3.62Å; F439-Y737 AromaticContact CZ-CE1 3.82Å; F439-Y737 HydrophobicContact CZ-CE1 3.82Å; F439-Y737 AromaticContact CZ-CE2 3.32Å; F439-Y737 HydrophobicContact CZ-CE2 3.32Å; F439-Y737 AromaticContact CZ-CG 3.99Å; F439-Y737 HydrophobicContact CZ-CG 3.99Å; F439-Y737 AromaticContact CZ-CZ 3.43Å; F439-Y737 VanDerWaalsContact CZ-CZ 3.43Å; F439-C740 HydrophobicContact CD2-CB 4.29Å; F439-C740 VanDerWaalsContact CD2-SG 3.59Å; F439-C740 HydrophobicContact CE2-CB 4.24Å; F439-L744 HydrophobicContact CB-CD1 3.95Å; F439-L744 HydrophobicContact CD1-CD1 3.52Å; F439-L744 HydrophobicContact CE1-CD1 4.2Å; F439-L744 HydrophobicContact CG-CD1 3.92Å
440	R	93.8	Very high	92.9	Very high	79 Å²	79	57 Å²	57	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-66.7	-40.2	-179.1	-67.8	-175.3	176.6	174.1	-4.9	111.2	L430 D434 C436 Y437 R443 L444 E747	L430-R440 HydrophobicContact CD2-CB 3.77Å; D434-R440 WeakPolarHBondContact OD2-CD 2.9Å; D434-R440 IonicContact OD2-CZ 2.57Å; D434-R440 IonicContact OD2-NE 2.96Å; D434-R440 PolarHBondContact OD2-NE 3.35Å; D434-R440 VanDerWaalsContact OD2-NE 3.11Å; D434-R440 IonicContact OD2-NH1 2.7Å; D434-R440 PolarHBondContact OD2-NH1 3.12Å; D434-R440 IonicContact OD2-NH2 2.88Å; C436-R440 HydrophobicContact CB-CG 4.4Å; C436-R440 PolarHBondContact O-N 3.12Å; Y437-R440 PolarHBondContact O-N 2.75Å; Y437-R440 VanDerWaalsContact O-N 3.16Å; R440-R443 WeakPolarHBondContact O-CB 3.43Å; R440-R443 PolarHBondContact O-N 3.35Å; R440-L444 PolarHBondContact O-N 2.65Å; R440-E747 IonicContact CZ-OE1 3.65Å; R440-E747 IonicContact NH2-OE1 3.22Å; R440-E747 PolarHBondContact NH2-OE1 3.12Å
441	R	91.9	Very high	93.2	Very high	122 Å²	122	56 Å²	56	46%	0.46	27%	0.266	S	S	.	.	H	α-helix	trans	-62.8	-46.5	172.4	-178.3	175.1	171.7	161.5	0.7	111.9	L430 Y437 R443 L444 T445	L430-R441 HydrophobicContact CD1-CB 3.94Å; L430-R441 HydrophobicContact CD1-CG 4.48Å; Y437-R441 HydrophobicContact CE1-CB 4.42Å; Y437-R441 VanDerWaalsContact O-CB 3.26Å; Y437-R441 WeakPolarHBondContact O-CB 3.45Å; Y437-R441 PolarHBondContact O-N 3.37Å; Y437-R441 PolarHBondContact OH-NH1 2.93Å; Y437-R441 VanDerWaalsContact OH-NH1 3.14Å; R441-R443 VanDerWaalsContact C-N 3.27Å; R441-R443 PolarHBondContact O-N 2.98Å; R441-L444 PolarHBondContact O-N 2.93Å; R441-T445 PolarHBondContact O-N 3.33Å
442	E	91.4	Very high	93.5	Very high	11 Å²	11	52 Å²	52	5%	0.051	24%	0.243	C	C	.	.	H	α-helix	trans	-61.9	-35.9	178.8	-165.8	69.1	-103.7	0	0	112.3	D438 F439 L444 T445 G531 Q532 F533 V689	D438-E442 WeakPolarHBondContact O-CB 3.33Å; D438-E442 PolarHBondContact O-N 3.39Å; F439-E442 PolarHBondContact O-N 2.83Å; E442-L444 PolarHBondContact O-N 3Å; E442-T445 VanDerWaalsContact O-CB 3.3Å; E442-T445 WeakPolarHBondContact O-CB 3.17Å; E442-T445 PolarHBondContact O-N 3.5Å; E442-T445 VanDerWaalsContact O-N 3.09Å; E442-T445 PolarHBondContact O-OG1 3.12Å; E442-T445 WeakPolarHBondContact OE1-CB 3.24Å; E442-T445 PolarHBondContact OE1-OG1 3.28Å; E442-G531 WeakPolarHBondContact OE2-CA 3.38Å; E442-Q532 PolarHBondContact OE2-N 3.33Å; E442-F533 HydrophobicContact CB-CD2 4.02Å; E442-F533 HydrophobicContact CG-CB 4.22Å; E442-F533 HydrophobicContact CG-CD2 3.99Å; E442-F533 PolarHBondContact OE2-N 3.18Å; E442-V689 HydrophobicContact CB-CG1 4.32Å; E442-V689 HydrophobicContact CB-CG2 4.26Å; E442-V689 HydrophobicContact CG-CB 4.31Å; E442-V689 HydrophobicContact CG-CG1 3.97Å; E442-V689 HydrophobicContact CG-CG2 4.28Å
443	R	91.1	Very high	93.9	Very high	125 Å²	125	45.5 Å²	45.5	47%	0.472	21%	0.213	S	C	.	.	H	α-helix	trans	-59.9	-29.6	173.8	175.2	-175.5	170.4	-172.5	-1.7	112.8	F439 R440 R441	F439-R443 PolarHBondContact O-N 2.82Å; R440-R443 WeakPolarHBondContact O-CB 3.43Å; R440-R443 PolarHBondContact O-N 3.35Å; R441-R443 VanDerWaalsContact C-N 3.27Å; R441-R443 PolarHBondContact O-N 2.98Å
444	L	91.9	Very high	94.2	Very high	44 Å²	44	39.4 Å²	39.4	23%	0.23	18%	0.18	C	C	.	.	H	α-helix	trans	-87.7	-11.8	177.9	-61.9	-178.6	0	0	0	112.9	L423 A426 L427 L430 R440 R441 E442 V446	L423-L444 HydrophobicContact CD1-CB 4.16Å; L423-L444 VanDerWaalsContact CD1-O 3.26Å; L423-L444 WeakPolarHBondContact CD1-O 3.43Å; A426-L444 HydrophobicContact CB-CD1 3.9Å; A426-L444 HydrophobicContact CB-CD2 4.04Å; A426-L444 WeakPolarHBondContact O-CD1 3.46Å; L427-L444 HydrophobicContact CD2-CB 4.12Å; L427-L444 HydrophobicContact CD2-CD1 3.94Å; L427-L444 HydrophobicContact CG-CD1 4.28Å; L430-L444 HydrophobicContact CD1-CD1 3.91Å; L430-L444 HydrophobicContact CD2-CD1 4.23Å; L430-L444 HydrophobicContact CG-CD1 4.08Å; R440-L444 PolarHBondContact O-N 2.65Å; R441-L444 PolarHBondContact O-N 2.93Å; E442-L444 PolarHBondContact O-N 3Å; L444-V446 PolarHBondContact O-N 3.03Å
445	T	91.6	Very high	94.4	Very high	27 Å²	27	42.2 Å²	42.2	17%	0.166	19%	0.192	C	C	.	.			trans	-59.4	119.8	177.4	-57.3	0	0	0	0	110.6	R441 E442 H447 E530	R441-T445 PolarHBondContact O-N 3.33Å; E442-T445 VanDerWaalsContact O-CB 3.3Å; E442-T445 WeakPolarHBondContact O-CB 3.17Å; E442-T445 PolarHBondContact O-N 3.5Å; E442-T445 VanDerWaalsContact O-N 3.09Å; E442-T445 PolarHBondContact O-OG1 3.12Å; E442-T445 WeakPolarHBondContact OE1-CB 3.24Å; E442-T445 PolarHBondContact OE1-OG1 3.28Å; T445-H447 PolarHBondContact O-N 3.3Å; T445-E530 HydrophobicContact CG2-CB 4.14Å; T445-E530 HydrophobicContact CG2-CG 3.84Å
446	V	93.1	Very high	94.7	Very high	48 Å²	48	37 Å²	37	29%	0.291	17%	0.167	S	C	.	.			trans	-91.6	99.8	175	-178.5	0	0	0	0	109.7	M183 R406 L423 L444	M183-V446 HydrophobicContact CE-CB 3.44Å; M183-V446 VanDerWaalsContact CE-CB 3.44Å; M183-V446 HydrophobicContact CE-CG1 3.61Å; M183-V446 HydrophobicContact CE-CG2 3.72Å; M183-V446 HydrophobicContact SD-CB 4.36Å; M183-V446 HydrophobicContact SD-CG1 4.04Å; M183-V446 HydrophobicContact SD-CG2 4.3Å; R406-V446 PolarHBondContact NH1-O 3.36Å; R406-V446 PolarHBondContact NH2-O 3.09Å; L423-V446 HydrophobicContact CD1-CG2 4.36Å; L423-V446 HydrophobicContact CD2-CG2 3.9Å; L444-V446 PolarHBondContact O-N 3.03Å
447	H	96.1	Very high	94.7	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.028	19%	0.191	C	C	.	.			trans	-71.8	138.2	176.2	-66.6	-90.9	0	0	0	111.8	S181 T445 Y497 V527 Y528 E530 L538	S181-H447 WeakPolarHBondContact CB-O 3.47Å; T445-H447 PolarHBondContact O-N 3.3Å; H447-Y497 AromaticContact CE1-CE2 3.9Å; H447-Y497 AromaticContact ND1-CE2 3.85Å; H447-V527 HydrophobicContact CB-CG1 3.62Å; H447-Y528 PolarHBondContact ND1-O 3.32Å; H447-Y528 VanDerWaalsContact ND1-O 3.13Å; H447-E530 PolarHBondContact CE1-O 3.37Å; H447-E530 VanDerWaalsContact CE1-O 3.28Å; H447-L538 HydrophobicContact CB-CD2 4.4Å
448	R	97.1	Very high	94.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.191	C	C	.	.			trans	-68.5	134.2	169.6	-174.7	172.3	64.4	106.3	1.3	109.2	L178 W182 D500 Y528	L178-R448 HydrophobicContact CD1-CG 3.45Å; L178-R448 VanDerWaalsContact CD1-CG 3.45Å; W182-R448 HydrophobicContact CB-CG 4.1Å; W182-R448 VanDerWaalsContact CG-CD 3.44Å; W182-R448 HydrophobicContact CG-CG 4.19Å; R448-D500 IonicContact CZ-OD1 3.68Å; R448-D500 IonicContact CZ-OD2 3.97Å; R448-D500 IonicContact NH1-OD1 2.75Å; R448-D500 IonicContact NH2-OD1 3.95Å; R448-D500 PolarHBondContact NH2-OD1 3.15Å; R448-D500 IonicContact NH2-OD2 2.74Å; R448-D500 PolarHBondContact NH2-OD2 3.15Å; R448-Y528 HydrophobicContact CB-CD2 3.85Å; R448-Y528 HydrophobicContact CB-CG 4.45Å; R448-Y528 HydrophobicContact CG-CD2 3.75Å; R448-Y528 HydrophobicContact CG-CE2 4.21Å; R448-Y528 VanDerWaalsContact NH1-CE2 3.33Å; R448-Y528 VanDerWaalsContact NH2-CE1 3.26Å; R448-Y528 VanDerWaalsContact NH2-CG 3.29Å; R448-Y528 VanDerWaalsContact NH2-CZ 3.35Å; R448-Y528 WeakPolarHBondContact O-CD2 3.41Å; R448-Y528 PolarHBondContact O-N 2.83Å
449	V	98.4	Very high	94.8	Very high	14 Å²	14	43.2 Å²	43.2	9%	0.085	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	120.7	-175.7	-178	0	0	0	0	111.4	L178 S181 L451 I526 V527 V542	L178-V449 VanDerWaalsContact CA-O 3.3Å; L178-V449 WeakPolarHBondContact CA-O 3.31Å; L178-V449 PolarHBondContact N-O 3.11Å; S181-V449 PolarHBondContact OG-N 3.26Å; V449-L451 HydrophobicContact CG1-CD2 3.64Å; V449-L451 HydrophobicContact CG1-CG 4.28Å; V449-I526 CarbonylContact C-O 3.55Å; V449-I526 WeakPolarHBondContact CA-O 3.28Å; V449-V527 HydrophobicContact CG2-CG2 4.4Å; V449-V542 HydrophobicContact CG1-CG1 3.96Å; V449-V542 HydrophobicContact CG2-CG2 4.34Å
450	H	98.6	Very high	94.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	107.2	169.5	-172.6	-45.1	0	0	0	110	I174 L178 F453 H525 I526 Y528	I174-H450 WeakPolarHBondContact CG2-CE1 3.32Å; L178-H450 HydrophobicContact CD1-CB 4.32Å; H450-F453 AromaticContact CD2-CD2 3.89Å; H450-F453 AromaticContact CE1-CD2 3.86Å; H450-F453 AromaticContact CG-CD2 3.89Å; H450-F453 AromaticContact ND1-CD2 3.86Å; H450-F453 AromaticContact NE2-CD2 3.87Å; H450-H525 CarbonylContact O-C 3.57Å; H450-H525 WeakPolarHBondContact O-CA 3.31Å; H450-I526 HydrophobicContact CB-CB 4.3Å; H450-I526 PolarHBondContact N-O 2.91Å; H450-I526 PolarHBondContact O-N 3.46Å; H450-Y528 HydrophobicContact CB-CE2 3.9Å
451	L	98.5	Very high	94.4	Very high	10 Å²	10	44.3 Å²	44.3	5%	0.052	23%	0.225	C	C	.	.			trans	-75.8	151.8	177.5	-57.1	178.9	0	0	0	111.4	R173 I174 V449 F453 H525 V542 N546	R173-L451 HydrophobicContact CG-CD1 4.38Å; I174-L451 HydrophobicContact CG1-CB 4.48Å; I174-L451 WeakPolarHBondContact CG1-O 3.04Å; V449-L451 HydrophobicContact CG1-CD2 3.64Å; V449-L451 HydrophobicContact CG1-CG 4.28Å; L451-F453 PolarHBondContact O-N 3.08Å; L451-H525 HydrophobicContact CD2-CB 4.17Å; L451-H525 WeakPolarHBondContact CD2-ND1 3.4Å; L451-V542 HydrophobicContact CD2-CG1 4.3Å; L451-N546 WeakPolarHBondContact CD2-ND2 3.39Å
452	Y	97.8	Very high	94.3	Very high	10 Å²	10	48.5 Å²	48.5	4%	0.039	25%	0.25	C	C	.	.			trans	44.8	56	172.8	-52.3	-74.2	0	0	0	113.4	H140 R173 I174 L454 Y456 Y524 H525 N546 N548	H140-Y452 PolarHBondContact CD2-O 3.48Å; R173-Y452 PolarHBondContact NH2-OH 3.14Å; R173-Y452 VanDerWaalsContact NH2-OH 3.16Å; I174-Y452 HydrophobicContact CG1-CD2 4.49Å; Y452-L454 CarbonylContact C-O 3.59Å; Y452-L454 PolarHBondContact O-N 2.93Å; Y452-Y456 AromaticContact CD1-CD1 3.77Å; Y452-Y456 HydrophobicContact CD1-CD1 3.77Å; Y452-Y456 HydrophobicContact CD1-CD2 4.34Å; Y452-Y456 AromaticContact CD1-CG 3.63Å; Y452-Y456 HydrophobicContact CD1-CG 3.63Å; Y452-Y456 AromaticContact CE1-CD1 3.52Å; Y452-Y456 HydrophobicContact CE1-CD1 3.52Å; Y452-Y456 HydrophobicContact CE1-CD2 4.29Å; Y452-Y456 AromaticContact CE1-CE1 3.87Å; Y452-Y456 HydrophobicContact CE1-CE1 3.87Å; Y452-Y456 AromaticContact CE1-CG 3.73Å; Y452-Y456 HydrophobicContact CE1-CG 3.73Å; Y452-Y524 CarbonylContact C-O 3.5Å; Y452-Y524 WeakPolarHBondContact CA-O 3.48Å; Y452-Y524 PolarHBondContact N-O 3.41Å; Y452-H525 AromaticContact CD1-CE1 3.64Å; Y452-H525 AromaticContact CE1-CE1 3.44Å; Y452-H525 VanDerWaalsContact CE1-CE1 3.44Å; Y452-H525 WeakPolarHBondContact CE1-CE1 3Å; Y452-H525 AromaticContact CE2-CE1 3.98Å; Y452-H525 AromaticContact CZ-CE1 3.63Å; Y452-H525 PolarHBondContact N-ND1 3.19Å; Y452-N546 PolarHBondContact OH-O 2.89Å; Y452-N548 PolarHBondContact OH-ND2 3.41Å
453	F	97.6	Very high	94.3	Very high	1 Å²	1	51.9 Å²	51.9	0%	0.004	27%	0.268	C	S	.	.			trans	-62.6	-26.5	-176.8	-170	-107	0	0	0	113.6	R144 H450 L451 A503 F506 L507 Y524 I526	R144-F453 HydrophobicContact CG-CD2 4.29Å; R144-F453 HydrophobicContact CG-CE2 3.68Å; R144-F453 HydrophobicContact CG-CZ 4.06Å; R144-F453 PolarHBondContact NH1-O 2.84Å; H450-F453 AromaticContact CD2-CD2 3.89Å; H450-F453 AromaticContact CE1-CD2 3.86Å; H450-F453 AromaticContact CG-CD2 3.89Å; H450-F453 AromaticContact ND1-CD2 3.86Å; H450-F453 AromaticContact NE2-CD2 3.87Å; L451-F453 PolarHBondContact O-N 3.08Å; F453-A503 HydrophobicContact CE1-CB 4.35Å; F453-A503 WeakPolarHBondContact CE1-O 3.49Å; F453-A503 HydrophobicContact CZ-CB 3.99Å; F453-F506 HydrophobicContact CD1-CD1 4.16Å; F453-F506 HydrophobicContact CD1-CE1 4.3Å; F453-F506 HydrophobicContact CE1-CD1 4.4Å; F453-L507 HydrophobicContact CE1-CB 4.14Å; F453-Y524 PolarHBondContact N-O 2.99Å; F453-I526 HydrophobicContact CB-CD1 4.23Å; F453-I526 HydrophobicContact CB-CG1 3.74Å; F453-I526 HydrophobicContact CD1-CD1 4.17Å; F453-I526 HydrophobicContact CD1-CG1 4.03Å; F453-I526 HydrophobicContact CD2-CG1 3.73Å; F453-I526 HydrophobicContact CE2-CG1 4.31Å; F453-I526 HydrophobicContact CG-CD1 4.14Å; F453-I526 HydrophobicContact CG-CG1 3.57Å
454	L	96.4	Very high	94.4	Very high	21 Å²	21	51 Å²	51	11%	0.11	27%	0.273	C	S	.	.	S	Bend	trans	-112.9	163.9	168.2	-54.6	-178.6	0	0	0	109.7	Y452 Y456 F506 L507 A510 Y524	Y452-L454 CarbonylContact C-O 3.59Å; Y452-L454 PolarHBondContact O-N 2.93Å; L454-Y456 PolarHBondContact O-N 3.25Å; L454-Y456 VanDerWaalsContact O-N 3.17Å; L454-F506 HydrophobicContact CD1-CE1 3.91Å; L454-F506 HydrophobicContact CD1-CZ 3.86Å; L454-F506 HydrophobicContact CG-CE1 4.2Å; L454-L507 HydrophobicContact CD2-CD1 3.32Å; L454-A510 HydrophobicContact CD1-CB 3.54Å; L454-Y524 HydrophobicContact CB-CD2 3.76Å; L454-Y524 HydrophobicContact CB-CE2 4.26Å; L454-Y524 HydrophobicContact CD1-CD2 3.74Å; L454-Y524 HydrophobicContact CD1-CE2 3.78Å; L454-Y524 HydrophobicContact CD1-CG 4.16Å; L454-Y524 HydrophobicContact CG-CD2 4Å; L454-Y524 HydrophobicContact CG-CE2 4.47Å; L454-Y524 HydrophobicContact CG-CG 4.38Å
455	Q	95.3	Very high	94.5	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.43	26%	0.264	S	S	.	.			trans	-55.6	121.1	177.3	-176.8	-176.3	8.6	0	0	111	K520	Q455-K520 HydrophobicContact CB-CD 4.29Å; Q455-K520 HydrophobicContact CG-CD 4.13Å
456	Y	96.6	Very high	94.8	Very high	32 Å²	32	48.3 Å²	48.3	13%	0.125	26%	0.258	C	S	.	.			trans	-114.7	132.3	173.5	176.4	-102.1	0	0	0	110.1	H140 Y452 L454 Y458 K520 V522 N548	H140-Y456 PolarHBondContact CE1-O 3.11Å; H140-Y456 VanDerWaalsContact CE1-O 3.29Å; H140-Y456 PolarHBondContact NE2-N 3.46Å; Y452-Y456 AromaticContact CD1-CD1 3.77Å; Y452-Y456 HydrophobicContact CD1-CD1 3.77Å; Y452-Y456 HydrophobicContact CD1-CD2 4.34Å; Y452-Y456 AromaticContact CD1-CG 3.63Å; Y452-Y456 HydrophobicContact CD1-CG 3.63Å; Y452-Y456 AromaticContact CE1-CD1 3.52Å; Y452-Y456 HydrophobicContact CE1-CD1 3.52Å; Y452-Y456 HydrophobicContact CE1-CD2 4.29Å; Y452-Y456 AromaticContact CE1-CE1 3.87Å; Y452-Y456 HydrophobicContact CE1-CE1 3.87Å; Y452-Y456 AromaticContact CE1-CG 3.73Å; Y452-Y456 HydrophobicContact CE1-CG 3.73Å; L454-Y456 PolarHBondContact O-N 3.25Å; L454-Y456 VanDerWaalsContact O-N 3.17Å; Y456-Y458 WeakPolarHBondContact OH-CB 3.48Å; Y456-K520 CarbonylContact C-O 3.55Å; Y456-K520 WeakPolarHBondContact CA-O 3.41Å; Y456-K520 WeakPolarHBondContact CD2-O 3.45Å; Y456-V522 VanDerWaalsContact CD2-C 3.46Å; Y456-N548 WeakPolarHBondContact CE1-ND2 3.22Å; Y456-N548 PolarHBondContact OH-ND2 3.41Å
457	D	94.5	Very high	95.1	Very high	99 Å²	99	46 Å²	46	53%	0.529	24%	0.244	S	C	.	.			trans	-147.1	127.3	175.2	-168.8	5.4	0	0	0	109	K520 N521	D457-K520 HydrophobicContact CB-CB 4.02Å; D457-K520 PolarHBondContact N-O 3.41Å; D457-K520 CarbonylContact O-C 3.5Å; D457-K520 VanDerWaalsContact O-C 3.26Å; D457-K520 VanDerWaalsContact O-O 3.07Å; D457-N521 WeakPolarHBondContact O-CA 3.35Å; D457-N521 PolarHBondContact O-N 3.46Å
458	Y	93.1	Very high	95.2	Very high	38 Å²	38	45.8 Å²	45.8	15%	0.149	24%	0.243	C	C	.	.			trans	-149.8	127	-176.8	165	-109.6	0	0	0	109.4	Y456 P460 D466 P491 N548 T549	Y456-Y458 WeakPolarHBondContact OH-CB 3.48Å; Y458-P460 HydrophobicContact CD1-CG 4.41Å; Y458-P460 HydrophobicContact CE1-CB 4.21Å; Y458-P460 HydrophobicContact CE1-CG 3.84Å; Y458-P460 WeakPolarHBondContact OH-CA 3.25Å; Y458-D466 VanDerWaalsContact OH-CB 3.3Å; Y458-D466 WeakPolarHBondContact OH-CB 3.46Å; Y458-D466 PolarHBondContact OH-OD2 2.84Å; Y458-P491 HydrophobicContact CD2-CB 4.03Å; Y458-P491 HydrophobicContact CD2-CG 4.27Å; Y458-P491 HydrophobicContact CE2-CB 4.15Å; Y458-P491 HydrophobicContact CE2-CG 3.87Å; Y458-N548 HydrophobicContact CD1-CB 4.2Å; Y458-N548 HydrophobicContact CE1-CB 4.36Å; Y458-T549 HydrophobicContact CE1-CG2 4.17Å; Y458-T549 WeakPolarHBondContact OH-CG2 3.49Å
459	T	92.1	Very high	95.3	Very high	120 Å²	120	45.9 Å²	45.9	74%	0.736	24%	0.244	S	C	*	.			trans	-104.1	119.4	173.1	-52.2	0	0	0	0	108.4
460	P	91.8	Very high	95.3	Very high	83 Å²	83	45.4 Å²	45.4	54%	0.539	24%	0.241	S	C	.	.			trans	-59.6	141.2	176.2	-22.8	32.9	0	0	0	113.2	Y458	Y458-P460 HydrophobicContact CD1-CG 4.41Å; Y458-P460 HydrophobicContact CE1-CB 4.21Å; Y458-P460 HydrophobicContact CE1-CG 3.84Å; Y458-P460 WeakPolarHBondContact OH-CA 3.25Å
461	A	88.4	Confident	95.3	Very high	28 Å²	28	45.5 Å²	45.5	23%	0.231	24%	0.242	C	C	.	.			trans	-68	146.6	168.7	0	0	0	0	0	111.7	D463 D464 D466	A461-D463 VanDerWaalsContact CB-OD1 3.32Å; A461-D463 WeakPolarHBondContact CB-OD1 3.23Å; A461-D463 PolarHBondContact O-N 2.74Å; A461-D464 PolarHBondContact O-N 3.16Å; A461-D466 VanDerWaalsContact CB-CG 3.47Å; A461-D466 VanDerWaalsContact CB-OD1 3.3Å; A461-D466 WeakPolarHBondContact CB-OD1 3.42Å; A461-D466 VanDerWaalsContact CB-OD2 3.28Å; A461-D466 WeakPolarHBondContact CB-OD2 3.42Å; A461-D466 PolarHBondContact N-OD2 2.76Å
462	E	89.4	Confident	95.2	Very high	209 Å²	209	46.1 Å²	46.1	98%	0.977	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.5	-177.5	-63.3	-176.3	171	0	0	113.9
463	D	90.8	Very high	95.1	Very high	83 Å²	83	45.7 Å²	45.7	44%	0.444	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	0	-176	68.3	-21.5	0	0	0	113.9	A461 T465 R570	A461-D463 VanDerWaalsContact CB-OD1 3.32Å; A461-D463 WeakPolarHBondContact CB-OD1 3.23Å; A461-D463 PolarHBondContact O-N 2.74Å; D463-T465 HydrophobicContact CB-CG2 4.25Å; D463-T465 WeakPolarHBondContact O-CG2 3.25Å; D463-T465 PolarHBondContact O-N 2.84Å; D463-T465 VanDerWaalsContact O-N 3.13Å; D463-T465 PolarHBondContact OD1-OG1 3.21Å; D463-T465 VanDerWaalsContact OD1-OG1 3.09Å; D463-T465 WeakPolarHBondContact OD2-CG2 3.47Å; D463-T465 PolarHBondContact OD2-OG1 3.46Å; D463-R570 VanDerWaalsContact CG-NH2 3.27Å; D463-R570 IonicContact OD1-CZ 2.72Å; D463-R570 IonicContact OD1-NH2 2.68Å; D463-R570 PolarHBondContact OD1-NH2 3.23Å; D463-R570 IonicContact OD2-CZ 2.91Å; D463-R570 IonicContact OD2-NH2 3.87Å; D463-R570 PolarHBondContact OD2-NH2 3.3Å
464	D	92.4	Very high	94.9	Very high	105 Å²	105	46.7 Å²	46.7	56%	0.561	25%	0.25	S	C	*	.	S	Bend	trans	55.2	28.6	178.6	-152.8	45.6	0	0	0	113.6	A461 P550 Y551	A461-D464 PolarHBondContact O-N 3.16Å; D464-P550 HydrophobicContact CB-CG 4.38Å; D464-P550 WeakPolarHBondContact O-CG 3.37Å; D464-P550 WeakPolarHBondContact OD1-CG 3.44Å; D464-Y551 WeakPolarHBondContact O-CE2 3.35Å
465	T	96	Very high	94.7	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.049	26%	0.255	C	S	.	.			trans	-101.3	-3.3	-179.4	65.6	0	0	0	0	113.9	D463 R570 V574	D463-T465 HydrophobicContact CB-CG2 4.25Å; D463-T465 WeakPolarHBondContact O-CG2 3.25Å; D463-T465 PolarHBondContact O-N 2.84Å; D463-T465 VanDerWaalsContact O-N 3.13Å; D463-T465 PolarHBondContact OD1-OG1 3.21Å; D463-T465 VanDerWaalsContact OD1-OG1 3.09Å; D463-T465 WeakPolarHBondContact OD2-CG2 3.47Å; D463-T465 PolarHBondContact OD2-OG1 3.46Å; T465-R570 WeakPolarHBondContact O-CG 3.5Å; T465-R570 PolarHBondContact OG1-NE 3.35Å; T465-R570 PolarHBondContact OG1-NH2 3.47Å; T465-V574 HydrophobicContact CG2-CG2 3.56Å
466	D	97.5	Very high	94.4	Very high	7 Å²	7	47 Å²	47	4%	0.037	25%	0.254	C	S	.	.			trans	-58	145.4	-173.7	-78.8	-16.3	0	0	0	112.6	Y458 A461 T549 Y551 Y566 R570	Y458-D466 VanDerWaalsContact OH-CB 3.3Å; Y458-D466 WeakPolarHBondContact OH-CB 3.46Å; Y458-D466 PolarHBondContact OH-OD2 2.84Å; A461-D466 VanDerWaalsContact CB-CG 3.47Å; A461-D466 VanDerWaalsContact CB-OD1 3.3Å; A461-D466 WeakPolarHBondContact CB-OD1 3.42Å; A461-D466 VanDerWaalsContact CB-OD2 3.28Å; A461-D466 WeakPolarHBondContact CB-OD2 3.42Å; A461-D466 PolarHBondContact N-OD2 2.76Å; D466-T549 HydrophobicContact CB-CG2 3.64Å; D466-T549 WeakPolarHBondContact O-CB 3.44Å; D466-Y551 PolarHBondContact O-N 3.38Å; D466-Y566 PolarHBondContact OD1-OH 2.86Å; D466-R570 IonicContact OD1-CZ 3.74Å; D466-R570 IonicContact OD1-NE 2.77Å; D466-R570 IonicContact OD1-NH2 2.77Å
467	V	98.4	Very high	94.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	121.5	-177.1	-170.3	0	0	0	0	109.6	W488 Y551 F553 Y566 L569 R570 I573 V676	V467-W488 HydrophobicContact CB-CH2 4.34Å; V467-W488 HydrophobicContact CB-CZ2 4.19Å; V467-W488 HydrophobicContact CG1-CH2 4.19Å; V467-W488 HydrophobicContact CG1-CZ2 4.2Å; V467-W488 WeakPolarHBondContact O-CZ2 3.35Å; V467-Y551 WeakPolarHBondContact CA-O 3.43Å; V467-F553 HydrophobicContact CG1-CB 3.88Å; V467-Y566 HydrophobicContact CB-CD2 4.37Å; V467-Y566 HydrophobicContact CB-CE2 4.17Å; V467-Y566 VanDerWaalsContact O-CE2 3.3Å; V467-Y566 WeakPolarHBondContact O-CE2 3.33Å; V467-L569 HydrophobicContact CG2-CB 4.2Å; V467-R570 HydrophobicContact CG2-CG 4.45Å; V467-I573 HydrophobicContact CG2-CD1 3.51Å; V467-V676 HydrophobicContact CG1-CG1 3.92Å
468	T	98.6	Very high	94.1	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.6	172.1	-66.3	0	0	0	0	109.7	V470 P491 S493 A547 T549 Y551 V552 F553	T468-V470 HydrophobicContact CG2-CG2 4.05Å; T468-V470 PolarHBondContact O-N 3.36Å; T468-P491 WeakPolarHBondContact CA-O 3.4Å; T468-S493 VanDerWaalsContact CG2-N 3.35Å; T468-A547 HydrophobicContact CG2-CB 3.78Å; T468-T549 WeakPolarHBondContact CB-OG1 3.47Å; T468-T549 PolarHBondContact N-OG1 3.14Å; T468-T549 WeakPolarHBondContact OG1-CB 3.48Å; T468-T549 WeakPolarHBondContact OG1-CG2 3.45Å; T468-T549 PolarHBondContact OG1-OG1 3.4Å; T468-Y551 PolarHBondContact N-O 3.41Å; T468-V552 CarbonylContact O-C 3.52Å; T468-V552 WeakPolarHBondContact O-CA 3.11Å; T468-F553 PolarHBondContact O-N 2.68Å
469	L	98.8	Very high	93.9	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.01	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120	165.2	-173.4	155.6	0	0	0	108.5	A471 I484 W488 P491 I492 S493 F553 T555 P561	L469-A471 HydrophobicContact CD2-CB 3.97Å; L469-I484 HydrophobicContact CD1-CG2 4.08Å; L469-I484 HydrophobicContact CD2-CG2 4.36Å; L469-W488 HydrophobicContact CB-CD2 4.05Å; L469-W488 HydrophobicContact CB-CG 4.14Å; L469-W488 HydrophobicContact CB-CZ2 4.05Å; L469-W488 HydrophobicContact CD1-CB 4.06Å; L469-W488 HydrophobicContact CD1-CD2 3.86Å; L469-W488 HydrophobicContact CD1-CE3 4.22Å; L469-W488 HydrophobicContact CD1-CG 3.8Å; L469-P491 PolarHBondContact N-O 3.04Å; L469-I492 HydrophobicContact CB-CG1 4.33Å; L469-I492 HydrophobicContact CB-CG2 4.34Å; L469-I492 HydrophobicContact CD2-CG2 3.92Å; L469-I492 CarbonylContact O-C 3.57Å; L469-I492 WeakPolarHBondContact O-CA 3.46Å; L469-I492 WeakPolarHBondContact O-CG2 3.13Å; L469-S493 PolarHBondContact O-N 3.29Å; L469-F553 HydrophobicContact CD1-CD1 4.43Å; L469-F553 HydrophobicContact CG-CD1 4.49Å; L469-T555 HydrophobicContact CD1-CG2 4.05Å; L469-T555 HydrophobicContact CD2-CG2 3.51Å; L469-T555 HydrophobicContact CG-CG2 3.6Å; L469-P561 HydrophobicContact CD1-CG 4.44Å
470	V	98.7	Very high	93.9	Very high	4 Å²	4	41 Å²	41	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	119.4	-178.8	178.5	0	0	0	0	108.3	T468 S493 A543 L544 A547 V552 F553 L554 T555	T468-V470 HydrophobicContact CG2-CG2 4.05Å; T468-V470 PolarHBondContact O-N 3.36Å; V470-S493 WeakPolarHBondContact CA-O 3.49Å; V470-A543 HydrophobicContact CG1-CB 3.65Å; V470-L544 HydrophobicContact CG1-CB 4.25Å; V470-A547 HydrophobicContact CG2-CB 4.12Å; V470-V552 HydrophobicContact CG2-CB 3.86Å; V470-V552 HydrophobicContact CG2-CG1 3.84Å; V470-F553 PolarHBondContact N-O 3.41Å; V470-L554 HydrophobicContact CB-CD2 4Å; V470-L554 HydrophobicContact CG1-CD2 4.19Å; V470-L554 HydrophobicContact CG2-CD2 4.4Å; V470-T555 PolarHBondContact O-N 2.83Å; V470-T555 VanDerWaalsContact O-O 3.12Å
471	A	97.9	Very high	94.1	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	167.5	176.9	0	0	0	0	0	111.8	L469 S493 L494 A495 T555	L469-A471 HydrophobicContact CD2-CB 3.97Å; A471-S493 PolarHBondContact N-O 2.97Å; A471-S493 VanDerWaalsContact N-O 3.15Å; A471-L494 HydrophobicContact CB-CD2 3.77Å; A471-L494 WeakPolarHBondContact O-CA 3.3Å; A471-A495 PolarHBondContact O-N 3.35Å; A471-A495 VanDerWaalsContact O-N 3.16Å; A471-T555 WeakPolarHBondContact CA-O 3.49Å; A471-T555 HydrophobicContact CB-CG2 4.15Å
472	Q	97	Very high	94.4	Very high	22 Å²	22	38.4 Å²	38.4	10%	0.103	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	153.5	175.4	59.3	72.6	24.8	0	0	110.5	A495 Y534 V539 R540	Q472-A495 CarbonylContact C-O 3.54Å; Q472-A495 VanDerWaalsContact CA-O 3.23Å; Q472-A495 WeakPolarHBondContact CA-O 3.26Å; Q472-Y534 VanDerWaalsContact OE1-CE1 3.25Å; Q472-Y534 VanDerWaalsContact OE1-CZ 3.23Å; Q472-Y534 PolarHBondContact OE1-OH 3.38Å; Q472-V539 HydrophobicContact CB-CB 4.16Å; Q472-V539 HydrophobicContact CB-CG1 3.54Å; Q472-V539 HydrophobicContact CG-CG1 4.43Å; Q472-R540 HydrophobicContact CG-CG 3.69Å
473	L	95.8	Very high	94.6	Very high	2 Å²	2	29.8 Å²	29.8	1%	0.01	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	164.3	176.1	71.2	158.3	0	0	0	114	R477 L478 L481 L494 A495 L496 Y497 V557	L473-R477 HydrophobicContact CB-CB 4.23Å; L473-L478 HydrophobicContact CD1-CD1 4.22Å; L473-L481 HydrophobicContact CD1-CD1 3.95Å; L473-L481 HydrophobicContact CD1-CD2 3.59Å; L473-L481 HydrophobicContact CD1-CG 3.71Å; L473-L481 HydrophobicContact CD2-CD2 3.98Å; L473-L481 HydrophobicContact CG-CD2 4.45Å; L473-L494 HydrophobicContact CD2-CB 4.35Å; L473-L494 HydrophobicContact CD2-CD2 4.34Å; L473-A495 PolarHBondContact N-O 2.7Å; L473-L496 HydrophobicContact CD1-CD2 4.31Å; L473-L496 HydrophobicContact CD2-CD2 3.9Å; L473-L496 HydrophobicContact CD2-CG 3.74Å; L473-L496 HydrophobicContact CG-CD2 4.13Å; L473-L496 HydrophobicContact CG-CG 4.27Å; L473-L496 CarbonylContact O-C 3.57Å; L473-L496 VanDerWaalsContact O-CA 3.29Å; L473-L496 WeakPolarHBondContact O-CA 3.39Å; L473-Y497 PolarHBondContact O-N 2.75Å; L473-V557 HydrophobicContact CB-CB 4.11Å; L473-V557 HydrophobicContact CB-CG1 3.86Å; L473-V557 HydrophobicContact CB-CG2 4.05Å; L473-V557 HydrophobicContact CD1-CG2 4.27Å
474	S	94.1	Very high	94.9	Very high	22 Å²	22	26 Å²	26	15%	0.154	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	174.7	165.2	43.2	0	0	0	0	110.9	D476 R477	S474-D476 WeakPolarHBondContact CB-OD1 3.5Å; S474-D476 PolarHBondContact O-N 2.95Å; S474-D476 VanDerWaalsContact O-N 3.14Å; S474-D476 PolarHBondContact OG-OD1 2.91Å; S474-R477 PolarHBondContact O-N 3.27Å; S474-R477 VanDerWaalsContact O-N 3.08Å
475	M	91.6	Very high	95.1	Very high	43 Å²	43	21.5 Å²	21.5	21%	0.212	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-54.2	-32.4	-178.1	-79.9	-66.3	-74.4	0	0	114.4	R477 L478 M498 E502 Q505	M475-R477 PolarHBondContact O-N 2.82Å; M475-R477 VanDerWaalsContact O-N 3.15Å; M475-L478 HydrophobicContact CE-CD2 4.48Å; M475-L478 WeakPolarHBondContact O-CB 3.5Å; M475-L478 PolarHBondContact O-N 3.39Å; M475-L478 HydrophobicContact SD-CD2 4.24Å; M475-M498 HydrophobicContact CG-CE 3.98Å; M475-M498 HydrophobicContact CG-CG 4.2Å; M475-M498 HydrophobicContact CG-SD 4.42Å; M475-M498 HydrophobicContact SD-CE 3.5Å; M475-M498 VanDerWaalsContact SD-CE 3.5Å; M475-M498 HydrophobicContact SD-SD 4.02Å; M475-E502 HydrophobicContact CG-CB 3.8Å; M475-E502 HydrophobicContact CG-CG 3.79Å; M475-E502 HydrophobicContact SD-CB 4.2Å; M475-Q505 HydrophobicContact CE-CB 3.97Å
476	D	89.6	Confident	95	Very high	77 Å²	77	26.4 Å²	26.4	41%	0.412	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-72.1	-3	-179.2	65.5	-67.9	0	0	0	114.6	S474 Q479	S474-D476 WeakPolarHBondContact CB-OD1 3.5Å; S474-D476 PolarHBondContact O-N 2.95Å; S474-D476 VanDerWaalsContact O-N 3.14Å; S474-D476 PolarHBondContact OG-OD1 2.91Å; D476-Q479 PolarHBondContact O-NE2 2.88Å; D476-Q479 PolarHBondContact O-OE1 3.42Å
477	R	91.6	Very high	95	Very high	17 Å²	17	26.8 Å²	26.8	6%	0.064	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-119.3	8.2	176.3	-65.3	-56.1	-170.9	-88	-19.9	114.3	L473 S474 M475 Q479 M480 V557 D558 H722 A723	L473-R477 HydrophobicContact CB-CB 4.23Å; S474-R477 PolarHBondContact O-N 3.27Å; S474-R477 VanDerWaalsContact O-N 3.08Å; M475-R477 PolarHBondContact O-N 2.82Å; M475-R477 VanDerWaalsContact O-N 3.15Å; R477-Q479 PolarHBondContact O-N 3.32Å; R477-Q479 VanDerWaalsContact O-N 3.12Å; R477-M480 WeakPolarHBondContact O-CB 3.23Å; R477-M480 PolarHBondContact O-N 3.25Å; R477-V557 HydrophobicContact CB-CG1 3.74Å; R477-V557 HydrophobicContact CG-CG1 4.04Å; R477-D558 WeakPolarHBondContact CD-OD1 3.46Å; R477-D558 IonicContact NE-OD1 2.65Å; R477-D558 PolarHBondContact NE-OD1 3.34Å; R477-D558 IonicContact NE-OD2 3.7Å; R477-D558 PolarHBondContact NE-OD2 3.18Å; R477-D558 VanDerWaalsContact NE-OD2 3.16Å; R477-H722 VanDerWaalsContact CZ-CB 3.44Å; R477-H722 VanDerWaalsContact NH2-CG 3.34Å; R477-H722 PolarHBondContact NH2-ND1 3.45Å; R477-A723 PolarHBondContact NH2-O 2.88Å
478	L	91.9	Very high	94.9	Very high	14 Å²	14	26.9 Å²	26.9	7%	0.073	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-31.3	-174.1	-165.1	67.8	0	0	0	113.2	L473 M475 M480 L481 M498 F506 Y509	L473-L478 HydrophobicContact CD1-CD1 4.22Å; M475-L478 HydrophobicContact CE-CD2 4.48Å; M475-L478 WeakPolarHBondContact O-CB 3.5Å; M475-L478 PolarHBondContact O-N 3.39Å; M475-L478 HydrophobicContact SD-CD2 4.24Å; L478-M480 PolarHBondContact O-N 3Å; L478-M480 VanDerWaalsContact O-N 3.14Å; L478-L481 HydrophobicContact CD1-CD1 3.45Å; L478-L481 VanDerWaalsContact CD1-CD1 3.45Å; L478-L481 HydrophobicContact CD1-CG 4.23Å; L478-L481 HydrophobicContact CG-CD1 4.43Å; L478-L481 WeakPolarHBondContact O-CB 3.41Å; L478-L481 WeakPolarHBondContact O-CG 3.39Å; L478-L481 PolarHBondContact O-N 3.25Å; L478-L481 VanDerWaalsContact O-N 3.14Å; L478-M498 HydrophobicContact CD1-CE 4.25Å; L478-F506 HydrophobicContact CD1-CD2 3.5Å; L478-F506 VanDerWaalsContact CD1-CD2 3.5Å; L478-F506 HydrophobicContact CD1-CE2 3.88Å; L478-F506 HydrophobicContact CD2-CD2 4.36Å; L478-Y509 HydrophobicContact CD1-CD1 4.08Å; L478-Y509 HydrophobicContact CD1-CE1 4.14Å; L478-Y509 HydrophobicContact CD2-CD1 3.44Å; L478-Y509 VanDerWaalsContact CD2-CD1 3.44Å; L478-Y509 HydrophobicContact CD2-CD2 4.04Å; L478-Y509 HydrophobicContact CD2-CE1 3.9Å; L478-Y509 HydrophobicContact CD2-CE2 4.45Å; L478-Y509 HydrophobicContact CD2-CG 3.52Å; L478-Y509 HydrophobicContact CG-CD1 3.64Å; L478-Y509 HydrophobicContact CG-CE1 3.58Å; L478-Y509 HydrophobicContact CG-CG 4.17Å; L478-Y509 PolarHBondContact O-OH 2.91Å
479	Q	89.4	Confident	94.8	Very high	110 Å²	110	33 Å²	33	51%	0.514	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.3	176.1	67.1	-79.9	3.4	0	0	114.4	D476 R477 L481	D476-Q479 PolarHBondContact O-NE2 2.88Å; D476-Q479 PolarHBondContact O-OE1 3.42Å; R477-Q479 PolarHBondContact O-N 3.32Å; R477-Q479 VanDerWaalsContact O-N 3.12Å; Q479-L481 VanDerWaalsContact C-N 3.33Å
480	M	93.1	Very high	94.6	Very high	21 Å²	21	33 Å²	33	10%	0.103	17%	0.165	C	C	.	.	H	α-helix	trans	-75.7	-22.6	-179.5	-69.6	-56.9	-62.6	0	0	112.7	R477 L478 E482 A483 I484 V557 L560 M720	R477-M480 WeakPolarHBondContact O-CB 3.23Å; R477-M480 PolarHBondContact O-N 3.25Å; L478-M480 PolarHBondContact O-N 3Å; L478-M480 VanDerWaalsContact O-N 3.14Å; M480-E482 PolarHBondContact O-N 3.14Å; M480-A483 PolarHBondContact O-N 3.5Å; M480-A483 VanDerWaalsContact O-N 3.17Å; M480-I484 HydrophobicContact CB-CD1 4.45Å; M480-I484 WeakPolarHBondContact O-CG1 3.47Å; M480-I484 PolarHBondContact O-N 2.87Å; M480-V557 HydrophobicContact CB-CG2 4.01Å; M480-V557 WeakPolarHBondContact CB-O 3.3Å; M480-L560 HydrophobicContact CE-CD2 3.8Å; M480-L560 HydrophobicContact CE-CG 3.94Å; M480-M720 HydrophobicContact CE-CB 3.92Å; M480-M720 HydrophobicContact CE-CG 3.79Å; M480-M720 HydrophobicContact SD-CB 4.22Å
481	L	94.3	Very high	94.6	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-46.9	-173	-69.7	-170.1	0	0	0	113	L473 L478 Q479 A483 I484 C485 L494 F506 L516 Y524 V557	L473-L481 HydrophobicContact CD1-CD1 3.95Å; L473-L481 HydrophobicContact CD1-CD2 3.59Å; L473-L481 HydrophobicContact CD1-CG 3.71Å; L473-L481 HydrophobicContact CD2-CD2 3.98Å; L473-L481 HydrophobicContact CG-CD2 4.45Å; L478-L481 HydrophobicContact CD1-CD1 3.45Å; L478-L481 VanDerWaalsContact CD1-CD1 3.45Å; L478-L481 HydrophobicContact CD1-CG 4.23Å; L478-L481 HydrophobicContact CG-CD1 4.43Å; L478-L481 WeakPolarHBondContact O-CB 3.41Å; L478-L481 WeakPolarHBondContact O-CG 3.39Å; L478-L481 PolarHBondContact O-N 3.25Å; L478-L481 VanDerWaalsContact O-N 3.14Å; Q479-L481 VanDerWaalsContact C-N 3.33Å; L481-A483 VanDerWaalsContact C-N 3.27Å; L481-A483 PolarHBondContact O-N 3.42Å; L481-I484 PolarHBondContact O-N 3.06Å; L481-C485 WeakPolarHBondContact O-CB 3.36Å; L481-C485 PolarHBondContact O-N 3.32Å; L481-C485 PolarHBondContact O-SG 3.4Å; L481-C485 VanDerWaalsContact O-SG 3.38Å; L481-L494 HydrophobicContact CD2-CD1 3.54Å; L481-F506 HydrophobicContact CD1-CE2 3.94Å; L481-L516 HydrophobicContact CB-CD1 4.41Å; L481-L516 HydrophobicContact CB-CD2 4.43Å; L481-Y524 HydrophobicContact CD1-CE1 4.47Å; L481-V557 HydrophobicContact CD2-CG2 4.12Å
482	E	94.9	Very high	94.6	Very high	56 Å²	56	32.8 Å²	32.8	26%	0.262	16%	0.164	S	C	.	.	H	α-helix	trans	-63.8	-37.5	179.7	-176.8	171.5	143.2	0	0	111.4	M480 C485 K486 S513 V515	M480-E482 PolarHBondContact O-N 3.14Å; E482-C485 PolarHBondContact O-N 3.35Å; E482-K486 WeakPolarHBondContact O-CG 3.46Å; E482-K486 PolarHBondContact O-N 3.36Å; E482-K486 VanDerWaalsContact O-N 3.14Å; E482-K486 WeakPolarHBondContact OE1-CE 3.42Å; E482-K486 IonicContact OE1-NZ 3.86Å; E482-K486 PolarHBondContact OE1-NZ 2.81Å; E482-S513 PolarHBondContact OE2-OG 3.29Å; E482-V515 HydrophobicContact CG-CB 3.95Å; E482-V515 HydrophobicContact CG-CG1 4.28Å; E482-V515 HydrophobicContact CG-CG2 3.91Å
483	A	94.6	Very high	94.7	Very high	28 Å²	28	31.9 Å²	31.9	23%	0.231	16%	0.159	C	C	.	.	H	α-helix	trans	-67.9	-45.7	177.9	0	0	0	0	0	111.6	M480 L481 C485 K486 H487 L560	M480-A483 PolarHBondContact O-N 3.5Å; M480-A483 VanDerWaalsContact O-N 3.17Å; L481-A483 VanDerWaalsContact C-N 3.27Å; L481-A483 PolarHBondContact O-N 3.42Å; A483-C485 VanDerWaalsContact C-N 3.27Å; A483-C485 PolarHBondContact O-N 3.15Å; A483-K486 PolarHBondContact O-N 2.82Å; A483-H487 PolarHBondContact O-CD2 3.2Å; A483-H487 PolarHBondContact O-N 2.85Å; A483-H487 VanDerWaalsContact O-N 3.12Å; A483-L560 HydrophobicContact CB-CD1 4.27Å; A483-L560 HydrophobicContact CB-CD2 3.64Å
484	I	96.3	Very high	94.8	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-45	173.6	-69.5	164.7	0	0	0	110.3	L469 M480 L481 K486 H487 W488 I492 V557 L560	L469-I484 HydrophobicContact CD1-CG2 4.08Å; L469-I484 HydrophobicContact CD2-CG2 4.36Å; M480-I484 HydrophobicContact CB-CD1 4.45Å; M480-I484 WeakPolarHBondContact O-CG1 3.47Å; M480-I484 PolarHBondContact O-N 2.87Å; L481-I484 PolarHBondContact O-N 3.06Å; I484-K486 PolarHBondContact O-N 2.9Å; I484-K486 VanDerWaalsContact O-N 3.16Å; I484-H487 PolarHBondContact O-N 3.22Å; I484-W488 PolarHBondContact O-N 2.71Å; I484-I492 HydrophobicContact CG2-CD1 3.98Å; I484-V557 HydrophobicContact CD1-CB 4.27Å; I484-V557 HydrophobicContact CD1-CG2 3.48Å; I484-V557 VanDerWaalsContact CD1-CG2 3.48Å; I484-V557 VanDerWaalsContact CD1-O 3.24Å; I484-V557 WeakPolarHBondContact CD1-O 3.35Å; I484-L560 HydrophobicContact CG1-CD2 3.97Å
485	C	96.3	Very high	95.1	Very high	11 Å²	11	30.8 Å²	30.8	7%	0.074	15%	0.152	C	C	.	.	H	α-helix	trans	-65.3	-14.9	178	-74.2	0	0	0	0	114.1	L481 E482 A483 V515 L516 R519	L481-C485 WeakPolarHBondContact O-CB 3.36Å; L481-C485 PolarHBondContact O-N 3.32Å; L481-C485 PolarHBondContact O-SG 3.4Å; L481-C485 VanDerWaalsContact O-SG 3.38Å; E482-C485 PolarHBondContact O-N 3.35Å; A483-C485 VanDerWaalsContact C-N 3.27Å; A483-C485 PolarHBondContact O-N 3.15Å; C485-V515 HydrophobicContact CB-CG1 3.77Å; C485-L516 HydrophobicContact CB-CD2 4.25Å; C485-R519 PolarHBondContact O-NH1 3.06Å
486	K	95.2	Very high	95.4	Very high	111 Å²	111	28.8 Å²	28.8	48%	0.483	14%	0.142	S	C	.	.	H	α-helix	trans	-90.8	-26.3	171.6	-71.6	172.5	-173.6	171	0	112.6	E482 A483 I484	E482-K486 WeakPolarHBondContact O-CG 3.46Å; E482-K486 PolarHBondContact O-N 3.36Å; E482-K486 VanDerWaalsContact O-N 3.14Å; E482-K486 WeakPolarHBondContact OE1-CE 3.42Å; E482-K486 IonicContact OE1-NZ 3.86Å; E482-K486 PolarHBondContact OE1-NZ 2.81Å; A483-K486 PolarHBondContact O-N 2.82Å; I484-K486 PolarHBondContact O-N 2.9Å; I484-K486 VanDerWaalsContact O-N 3.16Å
487	H	96.3	Very high	95.8	Very high	16 Å²	16	25.9 Å²	25.9	7%	0.074	13%	0.125	C	C	.	.	H	α-helix	trans	-93.7	-25.3	-175.1	-81.9	-106.9	0	0	0	113.8	A483 I484 P561 Y563 F599	A483-H487 PolarHBondContact O-CD2 3.2Å; A483-H487 PolarHBondContact O-N 2.85Å; A483-H487 VanDerWaalsContact O-N 3.12Å; I484-H487 PolarHBondContact O-N 3.22Å; H487-P561 HydrophobicContact CB-CG 3.94Å; H487-P561 PolarHBondContact ND1-O 2.88Å; H487-Y563 AromaticContact CE1-CE2 3.54Å; H487-Y563 AromaticContact CE1-CZ 3.43Å; H487-Y563 VanDerWaalsContact CE1-CZ 3.43Å; H487-Y563 PolarHBondContact CE1-OH 3.27Å; H487-Y563 AromaticContact ND1-CE2 3.99Å; H487-Y563 AromaticContact ND1-CZ 3.85Å; H487-Y563 AromaticContact NE2-CZ 3.55Å; H487-Y563 PolarHBondContact NE2-OH 2.79Å; H487-Y563 VanDerWaalsContact NE2-OH 3.08Å; H487-F599 AromaticContact CE1-CD1 3.69Å; H487-F599 AromaticContact CE1-CD2 3.49Å; H487-F599 VanDerWaalsContact CE1-CD2 3.49Å; H487-F599 WeakPolarHBondContact CE1-CD2 3.28Å; H487-F599 AromaticContact CE1-CE1 3.95Å; H487-F599 AromaticContact CE1-CE2 3.72Å; H487-F599 AromaticContact CE1-CG 3.47Å; H487-F599 VanDerWaalsContact CE1-CG 3.47Å; H487-F599 WeakPolarHBondContact CE1-CG 3.35Å; H487-F599 AromaticContact CE1-CZ 3.95Å; H487-F599 AromaticContact ND1-CZ 3.95Å
488	W	97.6	Very high	96	Very high	1 Å²	1	25 Å²	25	0%	0.004	12%	0.122	C	C	.	.			trans	-115.1	121.1	-180	-175.3	-101.7	0	0	0	109.7	V467 L469 I484 G490 P491 R519 F553 P561 L565 Y566 L569	V467-W488 HydrophobicContact CB-CH2 4.34Å; V467-W488 HydrophobicContact CB-CZ2 4.19Å; V467-W488 HydrophobicContact CG1-CH2 4.19Å; V467-W488 HydrophobicContact CG1-CZ2 4.2Å; V467-W488 WeakPolarHBondContact O-CZ2 3.35Å; L469-W488 HydrophobicContact CB-CD2 4.05Å; L469-W488 HydrophobicContact CB-CG 4.14Å; L469-W488 HydrophobicContact CB-CZ2 4.05Å; L469-W488 HydrophobicContact CD1-CB 4.06Å; L469-W488 HydrophobicContact CD1-CD2 3.86Å; L469-W488 HydrophobicContact CD1-CE3 4.22Å; L469-W488 HydrophobicContact CD1-CG 3.8Å; I484-W488 PolarHBondContact O-N 2.71Å; W488-G490 PolarHBondContact NE1-O 3.35Å; W488-P491 PolarHBondContact NE1-O 2.99Å; W488-R519 PolarHBondContact O-NH1 2.62Å; W488-R519 PolarHBondContact O-NH2 3.4Å; W488-F553 HydrophobicContact CH2-CB 4.33Å; W488-F553 AromaticContact CH2-CD1 3.98Å; W488-F553 HydrophobicContact CH2-CD1 3.98Å; W488-F553 AromaticContact CZ3-CD1 3.92Å; W488-F553 HydrophobicContact CZ3-CD1 3.92Å; W488-F553 HydrophobicContact CZ3-CE1 4.43Å; W488-P561 HydrophobicContact CB-CG 4.16Å; W488-P561 HydrophobicContact CE3-CB 4.38Å; W488-P561 HydrophobicContact CE3-CG 4.15Å; W488-L565 HydrophobicContact CZ3-CB 4.24Å; W488-L565 HydrophobicContact CZ3-CD2 4.21Å; W488-L565 HydrophobicContact CZ3-CG 4.1Å; W488-Y566 AromaticContact CE2-CD2 3.95Å; W488-Y566 AromaticContact CH2-CD2 3.9Å; W488-Y566 HydrophobicContact CH2-CD2 3.9Å; W488-Y566 AromaticContact CZ2-CD2 3.54Å; W488-Y566 HydrophobicContact CZ2-CD2 3.54Å; W488-Y566 HydrophobicContact CZ2-CE2 4.27Å; W488-Y566 HydrophobicContact CZ2-CG 4.48Å; W488-L569 HydrophobicContact CH2-CD1 3.66Å; W488-L569 HydrophobicContact CZ3-CD1 3.88Å
489	E	95.2	Very high	96.3	Very high	130 Å²	130	26.3 Å²	26.3	61%	0.607	13%	0.132	S	C	*	.			trans	-89.4	-28.7	-179	-64.2	-178.5	163.7	0	0	112.8	R519 N521	E489-R519 PolarHBondContact O-NH2 3.34Å; E489-N521 PolarHBondContact O-ND2 3.17Å; E489-N521 VanDerWaalsContact O-ND2 3.16Å
490	G	96.4	Very high	96.7	Very high	2 Å²	2	21.3 Å²	21.3	2%	0.021	11%	0.109	C	C	.	.	S	Bend	trans	-67.5	179.7	-178.3	0	0	0	0	0	115.3	W488 R519 N521 Y566	W488-G490 PolarHBondContact NE1-O 3.35Å; G490-R519 PolarHBondContact O-NH2 2.91Å; G490-N521 PolarHBondContact O-ND2 3.39Å; G490-Y566 VanDerWaalsContact CA-CE2 3.48Å
491	P	98.1	Very high	96.8	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.013	12%	0.115	C	C	.	.			trans	-63.2	151.6	176.2	25.7	-31.7	0	0	0	111.8	Y458 T468 L469 W488 N521 T549	Y458-P491 HydrophobicContact CD2-CB 4.03Å; Y458-P491 HydrophobicContact CD2-CG 4.27Å; Y458-P491 HydrophobicContact CE2-CB 4.15Å; Y458-P491 HydrophobicContact CE2-CG 3.87Å; T468-P491 WeakPolarHBondContact CA-O 3.4Å; L469-P491 PolarHBondContact N-O 3.04Å; W488-P491 PolarHBondContact NE1-O 2.99Å; P491-N521 WeakPolarHBondContact CA-O 3.36Å; P491-T549 HydrophobicContact CB-CG2 4.47Å; P491-T549 HydrophobicContact CG-CG2 3.48Å; P491-T549 VanDerWaalsContact CG-CG2 3.48Å
492	I	98.6	Very high	97	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.1	177.5	-50	-178.3	0	0	0	109	L469 I484 L494 N521 V522 G523	L469-I492 HydrophobicContact CB-CG1 4.33Å; L469-I492 HydrophobicContact CB-CG2 4.34Å; L469-I492 HydrophobicContact CD2-CG2 3.92Å; L469-I492 CarbonylContact O-C 3.57Å; L469-I492 WeakPolarHBondContact O-CA 3.46Å; L469-I492 WeakPolarHBondContact O-CG2 3.13Å; I484-I492 HydrophobicContact CG2-CD1 3.98Å; I492-L494 HydrophobicContact CG2-CD1 4.07Å; I492-L494 HydrophobicContact CG2-CD2 3.83Å; I492-L494 HydrophobicContact CG2-CG 3.57Å; I492-N521 PolarHBondContact N-O 2.81Å; I492-V522 HydrophobicContact CB-CB 4.45Å; I492-V522 HydrophobicContact CB-CG1 4.07Å; I492-V522 HydrophobicContact CB-CG2 4.15Å; I492-V522 HydrophobicContact CD1-CG2 4.08Å; I492-V522 HydrophobicContact CG1-CG2 4.24Å; I492-V522 HydrophobicContact CG2-CG1 4.41Å; I492-V522 CarbonylContact O-C 3.55Å; I492-V522 WeakPolarHBondContact O-CA 3.48Å; I492-G523 PolarHBondContact O-N 2.97Å
493	S	98.6	Very high	97.1	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.3	163.7	-175.7	0	0	0	0	109.6	T468 L469 V470 A471 H525 A543	T468-S493 VanDerWaalsContact CG2-N 3.35Å; L469-S493 PolarHBondContact O-N 3.29Å; V470-S493 WeakPolarHBondContact CA-O 3.49Å; A471-S493 PolarHBondContact N-O 2.97Å; A471-S493 VanDerWaalsContact N-O 3.15Å; S493-H525 PolarHBondContact OG-CD2 3Å; S493-H525 PolarHBondContact OG-NE2 2.79Å; S493-H525 VanDerWaalsContact OG-NE2 3.09Å; S493-A543 WeakPolarHBondContact CB-O 3.5Å; S493-A543 WeakPolarHBondContact OG-CA 3.35Å; S493-A543 PolarHBondContact OG-O 2.97Å
494	L	98.2	Very high	97.1	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	123.6	-176.9	-67.7	173.2	0	0	0	110.3	A471 L473 L481 I492 L496 V522 G523 Y524 H525	A471-L494 HydrophobicContact CB-CD2 3.77Å; A471-L494 WeakPolarHBondContact O-CA 3.3Å; L473-L494 HydrophobicContact CD2-CB 4.35Å; L473-L494 HydrophobicContact CD2-CD2 4.34Å; L481-L494 HydrophobicContact CD2-CD1 3.54Å; I492-L494 HydrophobicContact CG2-CD1 4.07Å; I492-L494 HydrophobicContact CG2-CD2 3.83Å; I492-L494 HydrophobicContact CG2-CG 3.57Å; L494-L496 HydrophobicContact CB-CD1 4.46Å; L494-V522 HydrophobicContact CD1-CG1 3.86Å; L494-V522 HydrophobicContact CG-CG1 4.44Å; L494-G523 PolarHBondContact N-O 3.14Å; L494-Y524 HydrophobicContact CD1-CD1 4.29Å; L494-Y524 HydrophobicContact CD1-CE1 4.01Å; L494-H525 PolarHBondContact O-CD2 3.28Å; L494-H525 PolarHBondContact O-N 2.92Å
495	A	98.7	Very high	97.1	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.2	168.3	0	0	0	0	0	110.5	A471 Q472 L473 H525 V527 V539 V542 A543	A471-A495 PolarHBondContact O-N 3.35Å; A471-A495 VanDerWaalsContact O-N 3.16Å; Q472-A495 CarbonylContact C-O 3.54Å; Q472-A495 VanDerWaalsContact CA-O 3.23Å; Q472-A495 WeakPolarHBondContact CA-O 3.26Å; L473-A495 PolarHBondContact N-O 2.7Å; A495-H525 CarbonylContact C-O 3.56Å; A495-H525 VanDerWaalsContact CA-O 3.3Å; A495-H525 WeakPolarHBondContact CA-O 3.46Å; A495-H525 HydrophobicContact CB-CB 4.46Å; A495-V527 HydrophobicContact CB-CG2 4.45Å; A495-V539 HydrophobicContact CB-CG1 3.45Å; A495-V539 VanDerWaalsContact CB-CG1 3.45Å; A495-V539 WeakPolarHBondContact CB-O 3.1Å; A495-V542 HydrophobicContact CB-CB 4.17Å; A495-V542 HydrophobicContact CB-CG1 4.11Å; A495-A543 HydrophobicContact CB-CB 3.87Å
496	L	98.4	Very high	97.2	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	118.6	-174	-57.8	101.2	0	0	0	109.9	L473 L494 M498 F506 Y524 H525 I526 V527	L473-L496 HydrophobicContact CD1-CD2 4.31Å; L473-L496 HydrophobicContact CD2-CD2 3.9Å; L473-L496 HydrophobicContact CD2-CG 3.74Å; L473-L496 HydrophobicContact CG-CD2 4.13Å; L473-L496 HydrophobicContact CG-CG 4.27Å; L473-L496 CarbonylContact O-C 3.57Å; L473-L496 VanDerWaalsContact O-CA 3.29Å; L473-L496 WeakPolarHBondContact O-CA 3.39Å; L494-L496 HydrophobicContact CB-CD1 4.46Å; L496-M498 HydrophobicContact CB-CE 3.87Å; L496-M498 HydrophobicContact CB-CG 4.19Å; L496-M498 HydrophobicContact CB-SD 3.94Å; L496-M498 HydrophobicContact CD2-CE 3.42Å; L496-M498 VanDerWaalsContact CD2-CE 3.42Å; L496-M498 HydrophobicContact CD2-SD 4.19Å; L496-M498 HydrophobicContact CG-CE 4.25Å; L496-M498 PolarHBondContact O-N 3.44Å; L496-F506 HydrophobicContact CD2-CD1 4.38Å; L496-F506 HydrophobicContact CD2-CD2 4.06Å; L496-F506 HydrophobicContact CD2-CE1 4.26Å; L496-F506 HydrophobicContact CD2-CE2 3.92Å; L496-F506 HydrophobicContact CD2-CG 4.29Å; L496-F506 HydrophobicContact CD2-CZ 4.04Å; L496-Y524 HydrophobicContact CD1-CD1 4.08Å; L496-H525 PolarHBondContact N-O 3.46Å; L496-I526 HydrophobicContact CB-CD1 3.9Å; L496-I526 HydrophobicContact CD1-CD1 3.96Å; L496-I526 HydrophobicContact CG-CD1 4.41Å; L496-V527 PolarHBondContact O-N 2.52Å
497	Y	97.9	Very high	97.2	Very high	16 Å²	16	19.3 Å²	19.3	6%	0.063	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	101.7	178.1	-171.9	-118.6	0	0	0	110.9	H447 L473 V527 K529 E530 Y534 P535 V539	H447-Y497 AromaticContact CE1-CE2 3.9Å; H447-Y497 AromaticContact ND1-CE2 3.85Å; L473-Y497 PolarHBondContact O-N 2.75Å; Y497-V527 WeakPolarHBondContact CA-O 3.32Å; Y497-V527 HydrophobicContact CD2-CB 4.29Å; Y497-V527 HydrophobicContact CD2-CG1 4.09Å; Y497-V527 WeakPolarHBondContact CD2-O 3.26Å; Y497-V527 HydrophobicContact CE2-CG1 4.49Å; Y497-K529 HydrophobicContact CD1-CG 3.86Å; Y497-K529 HydrophobicContact CD2-CG 4.33Å; Y497-K529 HydrophobicContact CE1-CB 4.43Å; Y497-K529 HydrophobicContact CE1-CD 4.47Å; Y497-K529 HydrophobicContact CE1-CG 3.65Å; Y497-K529 HydrophobicContact CE2-CB 4.38Å; Y497-K529 HydrophobicContact CE2-CG 4.08Å; Y497-K529 HydrophobicContact CG-CG 4.22Å; Y497-K529 WeakPolarHBondContact O-CE 3.46Å; Y497-E530 PolarHBondContact OH-N 2.88Å; Y497-E530 PolarHBondContact OH-O 2.84Å; Y497-Y534 AromaticContact CD1-CD2 3.4Å; Y497-Y534 HydrophobicContact CD1-CD2 3.4Å; Y497-Y534 AromaticContact CD1-CE2 3.31Å; Y497-Y534 HydrophobicContact CD1-CE2 3.31Å; Y497-Y534 AromaticContact CE1-CD2 3.86Å; Y497-Y534 HydrophobicContact CE1-CD2 3.86Å; Y497-Y534 HydrophobicContact CE1-CE2 4.23Å; Y497-Y534 HydrophobicContact CG-CD2 4.15Å; Y497-Y534 AromaticContact CG-CE2 3.69Å; Y497-Y534 HydrophobicContact CG-CE2 3.69Å; Y497-P535 HydrophobicContact CD2-CG 4.17Å; Y497-P535 HydrophobicContact CE2-CG 3.73Å; Y497-V539 HydrophobicContact CD2-CG2 4.28Å
498	M	97.2	Very high	97.1	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.3	-165.8	-66.6	-177	174.6	0	0	112.6	M475 L478 L496 E502 F506 I526 V527 Y528 K529	M475-M498 HydrophobicContact CG-CE 3.98Å; M475-M498 HydrophobicContact CG-CG 4.2Å; M475-M498 HydrophobicContact CG-SD 4.42Å; M475-M498 HydrophobicContact SD-CE 3.5Å; M475-M498 VanDerWaalsContact SD-CE 3.5Å; M475-M498 HydrophobicContact SD-SD 4.02Å; L478-M498 HydrophobicContact CD1-CE 4.25Å; L496-M498 HydrophobicContact CB-CE 3.87Å; L496-M498 HydrophobicContact CB-CG 4.19Å; L496-M498 HydrophobicContact CB-SD 3.94Å; L496-M498 HydrophobicContact CD2-CE 3.42Å; L496-M498 VanDerWaalsContact CD2-CE 3.42Å; L496-M498 HydrophobicContact CD2-SD 4.19Å; L496-M498 HydrophobicContact CG-CE 4.25Å; L496-M498 PolarHBondContact O-N 3.44Å; M498-E502 WeakPolarHBondContact CA-OE2 3.38Å; M498-E502 HydrophobicContact CB-CB 3.89Å; M498-E502 HydrophobicContact CG-CB 4.27Å; M498-F506 HydrophobicContact CE-CB 4.12Å; M498-F506 HydrophobicContact CE-CD2 4.44Å; M498-F506 HydrophobicContact CE-CG 4.29Å; M498-F506 HydrophobicContact SD-CB 3.77Å; M498-F506 HydrophobicContact SD-CG 4.2Å; M498-I526 HydrophobicContact CB-CG2 4.34Å; M498-I526 HydrophobicContact SD-CD1 4.41Å; M498-V527 PolarHBondContact N-O 3.02Å; M498-V527 VanDerWaalsContact N-O 3.08Å; M498-Y528 CarbonylContact O-C 3.56Å; M498-Y528 VanDerWaalsContact O-CA 3.23Å; M498-Y528 WeakPolarHBondContact O-CA 3.48Å; M498-K529 PolarHBondContact O-N 3.26Å
499	S	97.1	Very high	97	Very high	41 Å²	41	28 Å²	28	29%	0.287	13%	0.133	S	C	.	.			trans	-73.4	168.9	163.7	72	0	0	0	0	111.1	A501 E502 A503	S499-A501 VanDerWaalsContact C-N 3.31Å; S499-A501 PolarHBondContact O-N 3.18Å; S499-E502 PolarHBondContact N-OE2 2.86Å; S499-E502 PolarHBondContact O-N 3.24Å; S499-E502 WeakPolarHBondContact OG-CG 3.45Å; S499-E502 PolarHBondContact OG-N 2.91Å; S499-E502 VanDerWaalsContact OG-N 3.14Å; S499-A503 PolarHBondContact O-N 3.31Å
500	D	97.3	Very high	97.1	Very high	5 Å²	5	21.9 Å²	21.9	3%	0.027	11%	0.105	C	C	.	.	H	α-helix	trans	-57.1	-43.1	173.1	-75.7	-87.5	0	0	0	112.8	K151 G402 R448 A503 Q504 Y528	K151-D500 WeakPolarHBondContact CE-OD1 3.31Å; K151-D500 IonicContact NZ-OD1 3.56Å; K151-D500 PolarHBondContact NZ-OD1 3.27Å; K151-D500 IonicContact NZ-OD2 3.51Å; G402-D500 PolarHBondContact N-OD2 2.91Å; R448-D500 IonicContact CZ-OD1 3.68Å; R448-D500 IonicContact CZ-OD2 3.97Å; R448-D500 IonicContact NH1-OD1 2.75Å; R448-D500 IonicContact NH2-OD1 3.95Å; R448-D500 PolarHBondContact NH2-OD1 3.15Å; R448-D500 IonicContact NH2-OD2 2.74Å; R448-D500 PolarHBondContact NH2-OD2 3.15Å; D500-A503 PolarHBondContact O-N 3.41Å; D500-Q504 WeakPolarHBondContact O-CG 3.43Å; D500-Q504 PolarHBondContact O-N 2.98Å; D500-Y528 HydrophobicContact CB-CE1 4.4Å; D500-Y528 VanDerWaalsContact OD1-CE1 3.25Å; D500-Y528 WeakPolarHBondContact OD1-CE1 3.5Å
501	A	96.1	Very high	96.9	Very high	26 Å²	26	27 Å²	27	22%	0.215	13%	0.128	C	C	.	.	H	α-helix	trans	-63.8	-43.8	175.7	0	0	0	0	0	112.3	E399 S499 A503 Q504 Q505	E399-A501 HydrophobicContact CB-CB 4.12Å; E399-A501 HydrophobicContact CG-CB 4.24Å; S499-A501 VanDerWaalsContact C-N 3.31Å; S499-A501 PolarHBondContact O-N 3.18Å; A501-A503 VanDerWaalsContact C-N 3.33Å; A501-A503 PolarHBondContact O-N 2.62Å; A501-Q504 WeakPolarHBondContact O-CB 3.37Å; A501-Q504 PolarHBondContact O-N 3.29Å; A501-Q505 WeakPolarHBondContact O-CG 3.4Å; A501-Q505 PolarHBondContact O-N 3.45Å; A501-Q505 VanDerWaalsContact O-N 3.07Å
502	E	97.7	Very high	96.8	Very high	37 Å²	37	30.8 Å²	30.8	17%	0.173	16%	0.16	C	C	.	.	H	α-helix	trans	-64.6	-36.2	176.8	-73.4	173.6	150	0	0	111.9	M475 M498 S499 Q504 Q505 F506 K529	M475-E502 HydrophobicContact CG-CB 3.8Å; M475-E502 HydrophobicContact CG-CG 3.79Å; M475-E502 HydrophobicContact SD-CB 4.2Å; M498-E502 WeakPolarHBondContact CA-OE2 3.38Å; M498-E502 HydrophobicContact CB-CB 3.89Å; M498-E502 HydrophobicContact CG-CB 4.27Å; S499-E502 PolarHBondContact N-OE2 2.86Å; S499-E502 PolarHBondContact O-N 3.24Å; S499-E502 WeakPolarHBondContact OG-CG 3.45Å; S499-E502 PolarHBondContact OG-N 2.91Å; S499-E502 VanDerWaalsContact OG-N 3.14Å; E502-Q504 VanDerWaalsContact C-N 3.25Å; E502-Q504 PolarHBondContact O-N 3.48Å; E502-Q505 WeakPolarHBondContact O-CB 3.34Å; E502-Q505 PolarHBondContact O-N 3.38Å; E502-Q505 VanDerWaalsContact O-N 3.12Å; E502-F506 WeakPolarHBondContact O-CB 3.41Å; E502-F506 PolarHBondContact O-N 3.43Å; E502-K529 IonicContact OE1-NZ 3.92Å; E502-K529 PolarHBondContact OE1-NZ 3.36Å; E502-K529 WeakPolarHBondContact OE2-CD 3.47Å; E502-K529 WeakPolarHBondContact OE2-CE 3.38Å; E502-K529 IonicContact OE2-NZ 2.74Å; E502-K529 PolarHBondContact OE2-NZ 3.49Å
503	A	97.6	Very high	96.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-61.2	-34.9	174.4	0	0	0	0	0	112	F453 S499 D500 A501 F506 L507 I526 Y528	F453-A503 HydrophobicContact CE1-CB 4.35Å; F453-A503 WeakPolarHBondContact CE1-O 3.49Å; F453-A503 HydrophobicContact CZ-CB 3.99Å; S499-A503 PolarHBondContact O-N 3.31Å; D500-A503 PolarHBondContact O-N 3.41Å; A501-A503 VanDerWaalsContact C-N 3.33Å; A501-A503 PolarHBondContact O-N 2.62Å; A503-F506 PolarHBondContact O-N 3Å; A503-L507 PolarHBondContact O-N 3.4Å; A503-I526 HydrophobicContact CB-CG1 4.47Å; A503-I526 HydrophobicContact CB-CG2 4.27Å; A503-Y528 HydrophobicContact CB-CE1 4.45Å
504	Q	95.3	Very high	96.4	Very high	17 Å²	17	37.1 Å²	37.1	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-71.7	-37.5	172.9	-57.7	-50.3	-41.7	0	0	112.6	L398 E399 D500 A501 E502 F506 L507 R508	L398-Q504 HydrophobicContact CD1-CG 4.39Å; L398-Q504 HydrophobicContact CD2-CG 3.76Å; L398-Q504 HydrophobicContact CG-CG 3.74Å; E399-Q504 HydrophobicContact CG-CG 4.47Å; D500-Q504 WeakPolarHBondContact O-CG 3.43Å; D500-Q504 PolarHBondContact O-N 2.98Å; A501-Q504 WeakPolarHBondContact O-CB 3.37Å; A501-Q504 PolarHBondContact O-N 3.29Å; E502-Q504 VanDerWaalsContact C-N 3.25Å; E502-Q504 PolarHBondContact O-N 3.48Å; Q504-F506 VanDerWaalsContact C-N 3.3Å; Q504-L507 PolarHBondContact O-N 2.93Å; Q504-R508 WeakPolarHBondContact O-CG 3.3Å; Q504-R508 PolarHBondContact O-N 3.16Å; Q504-R508 VanDerWaalsContact O-N 3.13Å
505	Q	96.1	Very high	96.3	Very high	90 Å²	90	38.9 Å²	38.9	42%	0.421	20%	0.201	S	C	.	.	H	α-helix	trans	-61.5	-42.9	172.3	-66.3	175.3	16.7	0	0	110.7	M475 A501 E502 R508 Y509	M475-Q505 HydrophobicContact CE-CB 3.97Å; A501-Q505 WeakPolarHBondContact O-CG 3.4Å; A501-Q505 PolarHBondContact O-N 3.45Å; A501-Q505 VanDerWaalsContact O-N 3.07Å; E502-Q505 WeakPolarHBondContact O-CB 3.34Å; E502-Q505 PolarHBondContact O-N 3.38Å; E502-Q505 VanDerWaalsContact O-N 3.12Å; Q505-R508 PolarHBondContact O-N 3.13Å; Q505-Y509 PolarHBondContact O-N 2.81Å
506	F	97.3	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.4	-45.7	174.3	169.5	-112.9	0	0	0	112.2	F453 L454 L478 L481 L496 M498 E502 A503 Q504 R508 Y509 A510 Y524 I526	F453-F506 HydrophobicContact CD1-CD1 4.16Å; F453-F506 HydrophobicContact CD1-CE1 4.3Å; F453-F506 HydrophobicContact CE1-CD1 4.4Å; L454-F506 HydrophobicContact CD1-CE1 3.91Å; L454-F506 HydrophobicContact CD1-CZ 3.86Å; L454-F506 HydrophobicContact CG-CE1 4.2Å; L478-F506 HydrophobicContact CD1-CD2 3.5Å; L478-F506 VanDerWaalsContact CD1-CD2 3.5Å; L478-F506 HydrophobicContact CD1-CE2 3.88Å; L478-F506 HydrophobicContact CD2-CD2 4.36Å; L481-F506 HydrophobicContact CD1-CE2 3.94Å; L496-F506 HydrophobicContact CD2-CD1 4.38Å; L496-F506 HydrophobicContact CD2-CD2 4.06Å; L496-F506 HydrophobicContact CD2-CE1 4.26Å; L496-F506 HydrophobicContact CD2-CE2 3.92Å; L496-F506 HydrophobicContact CD2-CG 4.29Å; L496-F506 HydrophobicContact CD2-CZ 4.04Å; M498-F506 HydrophobicContact CE-CB 4.12Å; M498-F506 HydrophobicContact CE-CD2 4.44Å; M498-F506 HydrophobicContact CE-CG 4.29Å; M498-F506 HydrophobicContact SD-CB 3.77Å; M498-F506 HydrophobicContact SD-CG 4.2Å; E502-F506 WeakPolarHBondContact O-CB 3.41Å; E502-F506 PolarHBondContact O-N 3.43Å; A503-F506 PolarHBondContact O-N 3Å; Q504-F506 VanDerWaalsContact C-N 3.3Å; F506-R508 VanDerWaalsContact C-N 3.3Å; F506-R508 PolarHBondContact O-N 3.44Å; F506-Y509 HydrophobicContact CD2-CD1 4.45Å; F506-Y509 WeakPolarHBondContact O-CB 3.39Å; F506-Y509 PolarHBondContact O-N 2.87Å; F506-Y509 VanDerWaalsContact O-N 3.17Å; F506-A510 HydrophobicContact CE2-CB 4.14Å; F506-A510 HydrophobicContact CZ-CB 4.16Å; F506-A510 WeakPolarHBondContact O-CB 3.25Å; F506-A510 PolarHBondContact O-N 3.22Å; F506-Y524 HydrophobicContact CE1-CD1 4.06Å; F506-Y524 HydrophobicContact CE1-CG 4.25Å; F506-Y524 HydrophobicContact CE2-CD1 4.31Å; F506-Y524 HydrophobicContact CE2-CE1 4.33Å; F506-Y524 AromaticContact CZ-CD1 3.38Å; F506-Y524 HydrophobicContact CZ-CD1 3.38Å; F506-Y524 AromaticContact CZ-CE1 3.68Å; F506-Y524 HydrophobicContact CZ-CE1 3.68Å; F506-Y524 AromaticContact CZ-CG 3.96Å; F506-Y524 HydrophobicContact CZ-CG 3.96Å; F506-I526 HydrophobicContact CD1-CD1 4.21Å
507	L	95.8	Very high	95.9	Very high	17 Å²	17	44.2 Å²	44.2	9%	0.089	22%	0.224	C	C	.	.	H	α-helix	trans	-54.7	-46.9	175.9	179.5	60.7	0	0	0	111.4	F453 L454 A503 Q504 A510 Q511	F453-L507 HydrophobicContact CE1-CB 4.14Å; L454-L507 HydrophobicContact CD2-CD1 3.32Å; A503-L507 PolarHBondContact O-N 3.4Å; Q504-L507 PolarHBondContact O-N 2.93Å; L507-A510 PolarHBondContact O-N 3.01Å; L507-Q511 HydrophobicContact CD1-CG 4.25Å; L507-Q511 WeakPolarHBondContact O-CB 3.46Å; L507-Q511 VanDerWaalsContact O-CG 3.23Å; L507-Q511 WeakPolarHBondContact O-CG 3.43Å; L507-Q511 PolarHBondContact O-N 3.17Å
508	R	94.7	Very high	95.7	Very high	127 Å²	127	48.5 Å²	48.5	48%	0.479	25%	0.248	S	C	.	.	H	α-helix	trans	-63.8	-43.8	177.5	-68.7	-172.6	-66.7	-94.7	10.7	111.9	Q504 Q505 F506 Q511 A512	Q504-R508 WeakPolarHBondContact O-CG 3.3Å; Q504-R508 PolarHBondContact O-N 3.16Å; Q504-R508 VanDerWaalsContact O-N 3.13Å; Q505-R508 PolarHBondContact O-N 3.13Å; F506-R508 VanDerWaalsContact C-N 3.3Å; F506-R508 PolarHBondContact O-N 3.44Å; R508-Q511 PolarHBondContact O-N 2.9Å; R508-A512 WeakPolarHBondContact O-CB 3.37Å; R508-A512 PolarHBondContact O-N 3.07Å
509	Y	95.8	Very high	95.5	Very high	72 Å²	72	50.1 Å²	50.1	28%	0.282	25%	0.254	S	S	.	.	H	α-helix	trans	-59.1	-49.6	176.4	171.2	-96.9	0	0	0	111.8	L478 Q505 F506 Q511 A512 S513 L516	L478-Y509 HydrophobicContact CD1-CD1 4.08Å; L478-Y509 HydrophobicContact CD1-CE1 4.14Å; L478-Y509 HydrophobicContact CD2-CD1 3.44Å; L478-Y509 VanDerWaalsContact CD2-CD1 3.44Å; L478-Y509 HydrophobicContact CD2-CD2 4.04Å; L478-Y509 HydrophobicContact CD2-CE1 3.9Å; L478-Y509 HydrophobicContact CD2-CE2 4.45Å; L478-Y509 HydrophobicContact CD2-CG 3.52Å; L478-Y509 HydrophobicContact CG-CD1 3.64Å; L478-Y509 HydrophobicContact CG-CE1 3.58Å; L478-Y509 HydrophobicContact CG-CG 4.17Å; L478-Y509 PolarHBondContact O-OH 2.91Å; Q505-Y509 PolarHBondContact O-N 2.81Å; F506-Y509 HydrophobicContact CD2-CD1 4.45Å; F506-Y509 WeakPolarHBondContact O-CB 3.39Å; F506-Y509 PolarHBondContact O-N 2.87Å; F506-Y509 VanDerWaalsContact O-N 3.17Å; Y509-Q511 PolarHBondContact O-N 2.79Å; Y509-A512 PolarHBondContact O-N 2.04Å; Y509-S513 PolarHBondContact O-N 3.04Å; Y509-S513 VanDerWaalsContact O-N 3.13Å; Y509-L516 HydrophobicContact CD1-CD1 4.04Å; Y509-L516 HydrophobicContact CE1-CD1 3.5Å
510	A	95.9	Very high	95.4	Very high	3 Å²	3	51.7 Å²	51.7	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-65.4	-37.2	-179.4	0	0	0	0	0	112.5	L454 F506 L507 A512 L516 K517	L454-A510 HydrophobicContact CD1-CB 3.54Å; F506-A510 HydrophobicContact CE2-CB 4.14Å; F506-A510 HydrophobicContact CZ-CB 4.16Å; F506-A510 WeakPolarHBondContact O-CB 3.25Å; F506-A510 PolarHBondContact O-N 3.22Å; L507-A510 PolarHBondContact O-N 3.01Å; A510-A512 VanDerWaalsContact C-N 3.33Å; A510-L516 HydrophobicContact CB-CB 4.4Å; A510-L516 HydrophobicContact CB-CD1 4.43Å; A510-K517 PolarHBondContact O-N 2.88Å
511	Q	93.3	Very high	95.4	Very high	109 Å²	109	53.2 Å²	53.2	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-70.4	-27.1	175.9	-73.9	176.5	-11.3	0	0	113.5	L507 R508 Y509	L507-Q511 HydrophobicContact CD1-CG 4.25Å; L507-Q511 WeakPolarHBondContact O-CB 3.46Å; L507-Q511 VanDerWaalsContact O-CG 3.23Å; L507-Q511 WeakPolarHBondContact O-CG 3.43Å; L507-Q511 PolarHBondContact O-N 3.17Å; R508-Q511 PolarHBondContact O-N 2.9Å; Y509-Q511 PolarHBondContact O-N 2.79Å
512	A	95.4	Very high	95.5	Very high	82 Å²	82	52 Å²	52	68%	0.678	25%	0.254	S	S	*	.	H	α-helix	trans	-83.2	-22.2	177.6	0	0	0	0	0	113.3	R508 Y509 A510	R508-A512 WeakPolarHBondContact O-CB 3.37Å; R508-A512 PolarHBondContact O-N 3.07Å; Y509-A512 PolarHBondContact O-N 2.04Å; A510-A512 VanDerWaalsContact C-N 3.33Å
513	S	95.6	Very high	95.5	Very high	10 Å²	10	50.2 Å²	50.2	7%	0.07	25%	0.246	C	C	.	.			trans	-83.9	120.7	175.3	177	0	0	0	0	111	E482 Y509 V515 L516 K517	E482-S513 PolarHBondContact OE2-OG 3.29Å; Y509-S513 PolarHBondContact O-N 3.04Å; Y509-S513 VanDerWaalsContact O-N 3.13Å; S513-V515 PolarHBondContact O-N 3.16Å; S513-V515 PolarHBondContact OG-N 3.4Å; S513-L516 PolarHBondContact O-N 3.49Å; S513-L516 PolarHBondContact OG-N 3.05Å; S513-K517 WeakPolarHBondContact O-CB 3.48Å; S513-K517 PolarHBondContact O-N 3.37Å
514	E	94.2	Very high	95.5	Very high	125 Å²	125	50.3 Å²	50.3	58%	0.584	25%	0.247	S	C	*	.	H	α-helix	trans	-60.4	-30.7	174.9	-73.1	-60	151.2	0	0	112.6	N518	E514-N518 WeakPolarHBondContact O-CB 3.3Å; E514-N518 PolarHBondContact O-ND2 3.18Å; E514-N518 PolarHBondContact OE2-ND2 3.14Å
515	V	95	Very high	95.7	Very high	40 Å²	40	49.5 Å²	49.5	24%	0.242	24%	0.243	C	C	.	.	H	α-helix	trans	-71.8	-51.7	178.5	178.5	0	0	0	0	110.4	E482 C485 S513 R519	E482-V515 HydrophobicContact CG-CB 3.95Å; E482-V515 HydrophobicContact CG-CG1 4.28Å; E482-V515 HydrophobicContact CG-CG2 3.91Å; C485-V515 HydrophobicContact CB-CG1 3.77Å; S513-V515 PolarHBondContact O-N 3.16Å; S513-V515 PolarHBondContact OG-N 3.4Å; V515-R519 VanDerWaalsContact O-CB 3.3Å; V515-R519 WeakPolarHBondContact O-CB 3.33Å; V515-R519 PolarHBondContact O-N 3Å
516	L	95.4	Very high	95.8	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	22%	0.223	C	C	.	.	H	α-helix	trans	-71.5	-38.9	-174.2	-56.9	-178.3	0	0	0	112	L481 C485 Y509 A510 S513 N518 R519	L481-L516 HydrophobicContact CB-CD1 4.41Å; L481-L516 HydrophobicContact CB-CD2 4.43Å; C485-L516 HydrophobicContact CB-CD2 4.25Å; Y509-L516 HydrophobicContact CD1-CD1 4.04Å; Y509-L516 HydrophobicContact CE1-CD1 3.5Å; A510-L516 HydrophobicContact CB-CB 4.4Å; A510-L516 HydrophobicContact CB-CD1 4.43Å; S513-L516 PolarHBondContact O-N 3.49Å; S513-L516 PolarHBondContact OG-N 3.05Å; L516-N518 VanDerWaalsContact C-N 3.31Å; L516-N518 PolarHBondContact O-N 3.17Å; L516-R519 PolarHBondContact O-N 3.1Å
517	K	93.6	Very high	95.9	Very high	106 Å²	106	45.2 Å²	45.2	46%	0.461	22%	0.223	S	C	.	.	H	α-helix	trans	-61.5	-39	179.1	-179.3	-175.4	173.9	-170.9	0	112.8	A510 S513 K520	A510-K517 PolarHBondContact O-N 2.88Å; S513-K517 WeakPolarHBondContact O-CB 3.48Å; S513-K517 PolarHBondContact O-N 3.37Å; K517-K520 WeakPolarHBondContact O-CE 3.14Å; K517-K520 PolarHBondContact O-NZ 3.01Å
518	N	93.3	Very high	96	Very high	106 Å²	106	44.6 Å²	44.6	57%	0.567	22%	0.219	S	C	*	.	H	α-helix	trans	-87.2	-21	-174.8	-67.1	-36.5	0	0	0	112.9	E514 L516	E514-N518 WeakPolarHBondContact O-CB 3.3Å; E514-N518 PolarHBondContact O-ND2 3.18Å; E514-N518 PolarHBondContact OE2-ND2 3.14Å; L516-N518 VanDerWaalsContact C-N 3.31Å; L516-N518 PolarHBondContact O-N 3.17Å
519	R	94	Very high	96	Very high	34 Å²	34	42 Å²	42	13%	0.128	21%	0.211	C	C	.	.			trans	-88.1	115.6	-178.5	-167.5	176.6	175.3	157.1	-4.4	112	C485 W488 E489 G490 V515 L516 N521 V522	C485-R519 PolarHBondContact O-NH1 3.06Å; W488-R519 PolarHBondContact O-NH1 2.62Å; W488-R519 PolarHBondContact O-NH2 3.4Å; E489-R519 PolarHBondContact O-NH2 3.34Å; G490-R519 PolarHBondContact O-NH2 2.91Å; V515-R519 VanDerWaalsContact O-CB 3.3Å; V515-R519 WeakPolarHBondContact O-CB 3.33Å; V515-R519 PolarHBondContact O-N 3Å; L516-R519 PolarHBondContact O-N 3.1Å; R519-N521 WeakPolarHBondContact CG-OD1 3.36Å; R519-N521 PolarHBondContact NE-OD1 3.24Å; R519-V522 HydrophobicContact CG-CG2 3.89Å
520	K	95.4	Very high	95.9	Very high	74 Å²	74	41.3 Å²	41.3	32%	0.322	21%	0.211	S	C	.	.			trans	-102.2	-13.6	-175.3	-55	-58.4	176.5	178.2	0	115.1	Q455 Y456 D457 K517 V522	Q455-K520 HydrophobicContact CB-CD 4.29Å; Q455-K520 HydrophobicContact CG-CD 4.13Å; Y456-K520 CarbonylContact C-O 3.55Å; Y456-K520 WeakPolarHBondContact CA-O 3.41Å; Y456-K520 WeakPolarHBondContact CD2-O 3.45Å; D457-K520 HydrophobicContact CB-CB 4.02Å; D457-K520 PolarHBondContact N-O 3.41Å; D457-K520 CarbonylContact O-C 3.5Å; D457-K520 VanDerWaalsContact O-C 3.26Å; D457-K520 VanDerWaalsContact O-O 3.07Å; K517-K520 WeakPolarHBondContact O-CE 3.14Å; K517-K520 PolarHBondContact O-NZ 3.01Å; K520-V522 PolarHBondContact O-N 3.2Å; K520-V522 VanDerWaalsContact O-N 3.13Å
521	N	96.8	Very high	95.5	Very high	37 Å²	37	43.6 Å²	43.6	20%	0.198	24%	0.235	C	C	.	.	S	Bend	trans	-83	25.2	176.2	70	-16.2	0	0	0	113.6	D457 E489 G490 P491 I492 R519	D457-N521 WeakPolarHBondContact O-CA 3.35Å; D457-N521 PolarHBondContact O-N 3.46Å; E489-N521 PolarHBondContact O-ND2 3.17Å; E489-N521 VanDerWaalsContact O-ND2 3.16Å; G490-N521 PolarHBondContact O-ND2 3.39Å; P491-N521 WeakPolarHBondContact CA-O 3.36Å; I492-N521 PolarHBondContact N-O 2.81Å; R519-N521 WeakPolarHBondContact CG-OD1 3.36Å; R519-N521 PolarHBondContact NE-OD1 3.24Å
522	V	97.8	Very high	95.1	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.8	177.1	-176.1	0	0	0	0	109.5	Y456 I492 L494 R519 K520 Y524	Y456-V522 VanDerWaalsContact CD2-C 3.46Å; I492-V522 HydrophobicContact CB-CB 4.45Å; I492-V522 HydrophobicContact CB-CG1 4.07Å; I492-V522 HydrophobicContact CB-CG2 4.15Å; I492-V522 HydrophobicContact CD1-CG2 4.08Å; I492-V522 HydrophobicContact CG1-CG2 4.24Å; I492-V522 HydrophobicContact CG2-CG1 4.41Å; I492-V522 CarbonylContact O-C 3.55Å; I492-V522 WeakPolarHBondContact O-CA 3.48Å; L494-V522 HydrophobicContact CD1-CG1 3.86Å; L494-V522 HydrophobicContact CG-CG1 4.44Å; R519-V522 HydrophobicContact CG-CG2 3.89Å; K520-V522 PolarHBondContact O-N 3.2Å; K520-V522 VanDerWaalsContact O-N 3.13Å; V522-Y524 HydrophobicContact CB-CD2 4.4Å; V522-Y524 HydrophobicContact CB-CE2 3.66Å; V522-Y524 HydrophobicContact CG1-CD1 4.15Å; V522-Y524 HydrophobicContact CG1-CD2 4.04Å; V522-Y524 HydrophobicContact CG1-CE1 3.6Å; V522-Y524 HydrophobicContact CG1-CE2 3.49Å; V522-Y524 VanDerWaalsContact CG1-CE2 3.49Å; V522-Y524 HydrophobicContact CG1-CG 4.37Å; V522-Y524 WeakPolarHBondContact CG1-OH 2.98Å; V522-Y524 VanDerWaalsContact O-CD2 3.25Å; V522-Y524 WeakPolarHBondContact O-CD2 3.18Å; V522-Y524 WeakPolarHBondContact O-CE2 3.22Å
523	G	97.9	Very high	94.9	Very high	1 Å²	1	41.4 Å²	41.4	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	116.4	174.8	0	0	0	0	0	110.3	I492 L494	I492-G523 PolarHBondContact O-N 2.97Å; L494-G523 PolarHBondContact N-O 3.14Å
524	Y	98.3	Very high	94.8	Very high	2 Å²	2	42.8 Å²	42.8	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.2	177.3	-59.1	-87.2	0	0	0	109.8	Y452 F453 L454 L481 L494 L496 F506 V522	Y452-Y524 CarbonylContact C-O 3.5Å; Y452-Y524 WeakPolarHBondContact CA-O 3.48Å; Y452-Y524 PolarHBondContact N-O 3.41Å; F453-Y524 PolarHBondContact N-O 2.99Å; L454-Y524 HydrophobicContact CB-CD2 3.76Å; L454-Y524 HydrophobicContact CB-CE2 4.26Å; L454-Y524 HydrophobicContact CD1-CD2 3.74Å; L454-Y524 HydrophobicContact CD1-CE2 3.78Å; L454-Y524 HydrophobicContact CD1-CG 4.16Å; L454-Y524 HydrophobicContact CG-CD2 4Å; L454-Y524 HydrophobicContact CG-CE2 4.47Å; L454-Y524 HydrophobicContact CG-CG 4.38Å; L481-Y524 HydrophobicContact CD1-CE1 4.47Å; L494-Y524 HydrophobicContact CD1-CD1 4.29Å; L494-Y524 HydrophobicContact CD1-CE1 4.01Å; L496-Y524 HydrophobicContact CD1-CD1 4.08Å; F506-Y524 HydrophobicContact CE1-CD1 4.06Å; F506-Y524 HydrophobicContact CE1-CG 4.25Å; F506-Y524 HydrophobicContact CE2-CD1 4.31Å; F506-Y524 HydrophobicContact CE2-CE1 4.33Å; F506-Y524 AromaticContact CZ-CD1 3.38Å; F506-Y524 HydrophobicContact CZ-CD1 3.38Å; F506-Y524 AromaticContact CZ-CE1 3.68Å; F506-Y524 HydrophobicContact CZ-CE1 3.68Å; F506-Y524 AromaticContact CZ-CG 3.96Å; F506-Y524 HydrophobicContact CZ-CG 3.96Å; V522-Y524 HydrophobicContact CB-CD2 4.4Å; V522-Y524 HydrophobicContact CB-CE2 3.66Å; V522-Y524 HydrophobicContact CG1-CD1 4.15Å; V522-Y524 HydrophobicContact CG1-CD2 4.04Å; V522-Y524 HydrophobicContact CG1-CE1 3.6Å; V522-Y524 HydrophobicContact CG1-CE2 3.49Å; V522-Y524 VanDerWaalsContact CG1-CE2 3.49Å; V522-Y524 HydrophobicContact CG1-CG 4.37Å; V522-Y524 WeakPolarHBondContact CG1-OH 2.98Å; V522-Y524 VanDerWaalsContact O-CD2 3.25Å; V522-Y524 WeakPolarHBondContact O-CD2 3.18Å; V522-Y524 WeakPolarHBondContact O-CE2 3.22Å
525	H	98.8	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.9	-177.7	-50.4	-74.5	0	0	0	109.4	H450 L451 Y452 S493 L494 A495 L496 V542 N546	H450-H525 CarbonylContact O-C 3.57Å; H450-H525 WeakPolarHBondContact O-CA 3.31Å; L451-H525 HydrophobicContact CD2-CB 4.17Å; L451-H525 WeakPolarHBondContact CD2-ND1 3.4Å; Y452-H525 AromaticContact CD1-CE1 3.64Å; Y452-H525 AromaticContact CE1-CE1 3.44Å; Y452-H525 VanDerWaalsContact CE1-CE1 3.44Å; Y452-H525 WeakPolarHBondContact CE1-CE1 3Å; Y452-H525 AromaticContact CE2-CE1 3.98Å; Y452-H525 AromaticContact CZ-CE1 3.63Å; Y452-H525 PolarHBondContact N-ND1 3.19Å; S493-H525 PolarHBondContact OG-CD2 3Å; S493-H525 PolarHBondContact OG-NE2 2.79Å; S493-H525 VanDerWaalsContact OG-NE2 3.09Å; L494-H525 PolarHBondContact O-CD2 3.28Å; L494-H525 PolarHBondContact O-N 2.92Å; A495-H525 CarbonylContact C-O 3.56Å; A495-H525 VanDerWaalsContact CA-O 3.3Å; A495-H525 WeakPolarHBondContact CA-O 3.46Å; A495-H525 HydrophobicContact CB-CB 4.46Å; L496-H525 PolarHBondContact N-O 3.46Å; H525-V542 HydrophobicContact CB-CG1 3.84Å; H525-N546 WeakPolarHBondContact CE1-CB 3.48Å; H525-N546 WeakPolarHBondContact NE2-CB 3.26Å
526	I	98.7	Very high	94.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	123.6	177.7	-50.7	-54.6	0	0	0	109	V449 H450 F453 L496 M498 A503 F506 Y528	V449-I526 CarbonylContact C-O 3.55Å; V449-I526 WeakPolarHBondContact CA-O 3.28Å; H450-I526 HydrophobicContact CB-CB 4.3Å; H450-I526 PolarHBondContact N-O 2.91Å; H450-I526 PolarHBondContact O-N 3.46Å; F453-I526 HydrophobicContact CB-CD1 4.23Å; F453-I526 HydrophobicContact CB-CG1 3.74Å; F453-I526 HydrophobicContact CD1-CD1 4.17Å; F453-I526 HydrophobicContact CD1-CG1 4.03Å; F453-I526 HydrophobicContact CD2-CG1 3.73Å; F453-I526 HydrophobicContact CE2-CG1 4.31Å; F453-I526 HydrophobicContact CG-CD1 4.14Å; F453-I526 HydrophobicContact CG-CG1 3.57Å; L496-I526 HydrophobicContact CB-CD1 3.9Å; L496-I526 HydrophobicContact CD1-CD1 3.96Å; L496-I526 HydrophobicContact CG-CD1 4.41Å; M498-I526 HydrophobicContact CB-CG2 4.34Å; M498-I526 HydrophobicContact SD-CD1 4.41Å; A503-I526 HydrophobicContact CB-CG1 4.47Å; A503-I526 HydrophobicContact CB-CG2 4.27Å; F506-I526 HydrophobicContact CD1-CD1 4.21Å; I526-Y528 HydrophobicContact CG2-CD1 3.97Å; I526-Y528 HydrophobicContact CG2-CD2 4.38Å; I526-Y528 HydrophobicContact CG2-CE1 3.78Å; I526-Y528 HydrophobicContact CG2-CE2 4.22Å; I526-Y528 HydrophobicContact CG2-CG 4.29Å
527	V	98.6	Very high	95	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113.2	166.8	-177	0	0	0	0	106.4	H447 V449 A495 L496 Y497 M498 L538 V539 V542	H447-V527 HydrophobicContact CB-CG1 3.62Å; V449-V527 HydrophobicContact CG2-CG2 4.4Å; A495-V527 HydrophobicContact CB-CG2 4.45Å; L496-V527 PolarHBondContact O-N 2.52Å; Y497-V527 WeakPolarHBondContact CA-O 3.32Å; Y497-V527 HydrophobicContact CD2-CB 4.29Å; Y497-V527 HydrophobicContact CD2-CG1 4.09Å; Y497-V527 WeakPolarHBondContact CD2-O 3.26Å; Y497-V527 HydrophobicContact CE2-CG1 4.49Å; M498-V527 PolarHBondContact N-O 3.02Å; M498-V527 VanDerWaalsContact N-O 3.08Å; V527-L538 HydrophobicContact CG1-CD2 3.87Å; V527-V539 HydrophobicContact CB-CG2 4.45Å; V527-V539 HydrophobicContact CG1-CG2 4.34Å; V527-V539 HydrophobicContact CG2-CG1 4.34Å; V527-V542 HydrophobicContact CG2-CB 4.12Å; V527-V542 HydrophobicContact CG2-CG1 3.99Å; V527-V542 HydrophobicContact CG2-CG2 3.95Å
528	Y	98	Very high	95.2	Very high	4 Å²	4	31.5 Å²	31.5	2%	0.016	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	136.9	-173.9	-67.6	-80.8	0	0	0	111.6	L178 H447 R448 H450 M498 D500 A503 I526 E530	L178-Y528 HydrophobicContact CD1-CE2 4.33Å; H447-Y528 PolarHBondContact ND1-O 3.32Å; H447-Y528 VanDerWaalsContact ND1-O 3.13Å; R448-Y528 HydrophobicContact CB-CD2 3.85Å; R448-Y528 HydrophobicContact CB-CG 4.45Å; R448-Y528 HydrophobicContact CG-CD2 3.75Å; R448-Y528 HydrophobicContact CG-CE2 4.21Å; R448-Y528 VanDerWaalsContact NH1-CE2 3.33Å; R448-Y528 VanDerWaalsContact NH2-CE1 3.26Å; R448-Y528 VanDerWaalsContact NH2-CG 3.29Å; R448-Y528 VanDerWaalsContact NH2-CZ 3.35Å; R448-Y528 WeakPolarHBondContact O-CD2 3.41Å; R448-Y528 PolarHBondContact O-N 2.83Å; H450-Y528 HydrophobicContact CB-CE2 3.9Å; M498-Y528 CarbonylContact O-C 3.56Å; M498-Y528 VanDerWaalsContact O-CA 3.23Å; M498-Y528 WeakPolarHBondContact O-CA 3.48Å; D500-Y528 HydrophobicContact CB-CE1 4.4Å; D500-Y528 VanDerWaalsContact OD1-CE1 3.25Å; D500-Y528 WeakPolarHBondContact OD1-CE1 3.5Å; A503-Y528 HydrophobicContact CB-CE1 4.45Å; I526-Y528 HydrophobicContact CG2-CD1 3.97Å; I526-Y528 HydrophobicContact CG2-CD2 4.38Å; I526-Y528 HydrophobicContact CG2-CE1 3.78Å; I526-Y528 HydrophobicContact CG2-CE2 4.22Å; I526-Y528 HydrophobicContact CG2-CG 4.29Å; Y528-E530 PolarHBondContact O-N 3.48Å
529	K	95.4	Very high	95.4	Very high	72 Å²	72	26.4 Å²	26.4	31%	0.313	14%	0.135	S	C	.	.			trans	-58.3	131.5	-179.3	-77.1	179	174	175.7	0	112	N403 Y497 M498 E502	N403-K529 PolarHBondContact ND2-O 2.96Å; N403-K529 VanDerWaalsContact ND2-O 3.12Å; Y497-K529 HydrophobicContact CD1-CG 3.86Å; Y497-K529 HydrophobicContact CD2-CG 4.33Å; Y497-K529 HydrophobicContact CE1-CB 4.43Å; Y497-K529 HydrophobicContact CE1-CD 4.47Å; Y497-K529 HydrophobicContact CE1-CG 3.65Å; Y497-K529 HydrophobicContact CE2-CB 4.38Å; Y497-K529 HydrophobicContact CE2-CG 4.08Å; Y497-K529 HydrophobicContact CG-CG 4.22Å; Y497-K529 WeakPolarHBondContact O-CE 3.46Å; M498-K529 PolarHBondContact O-N 3.26Å; E502-K529 IonicContact OE1-NZ 3.92Å; E502-K529 PolarHBondContact OE1-NZ 3.36Å; E502-K529 WeakPolarHBondContact OE2-CD 3.47Å; E502-K529 WeakPolarHBondContact OE2-CE 3.38Å; E502-K529 IonicContact OE2-NZ 2.74Å; E502-K529 PolarHBondContact OE2-NZ 3.49Å
530	E	91.9	Very high	95.6	Very high	57 Å²	57	25.4 Å²	25.4	27%	0.266	13%	0.131	S	C	.	.			trans	-161.6	153.4	175.4	-167.8	166.1	-169.3	0	0	108.7	R406 T445 H447 Y497 Y528	R406-E530 IonicContact CZ-OE2 3.41Å; R406-E530 IonicContact NH1-OE1 3.31Å; R406-E530 PolarHBondContact NH1-OE1 3.24Å; R406-E530 IonicContact NH1-OE2 3.74Å; R406-E530 PolarHBondContact NH1-OE2 3.01Å; R406-E530 IonicContact NH2-OE2 3.81Å; T445-E530 HydrophobicContact CG2-CB 4.14Å; T445-E530 HydrophobicContact CG2-CG 3.84Å; H447-E530 PolarHBondContact CE1-O 3.37Å; H447-E530 VanDerWaalsContact CE1-O 3.28Å; Y497-E530 PolarHBondContact OH-N 2.88Å; Y497-E530 PolarHBondContact OH-O 2.84Å; Y528-E530 PolarHBondContact O-N 3.48Å
531	G	87.6	Confident	95.7	Very high	52 Å²	52	22 Å²	22	54%	0.536	12%	0.116	S	C	.	.	S	Bend	trans	78.8	-174.1	179.1	0	0	0	0	0	114.8	E442	E442-G531 WeakPolarHBondContact OE2-CA 3.38Å
532	Q	86.1	Confident	95.8	Very high	131 Å²	131	21 Å²	21	61%	0.612	11%	0.112	S	C	*	.	S	Bend	trans	-106.1	-20.8	-170.2	-64.5	-164.8	9.2	0	0	114.2	E442 K730	E442-Q532 PolarHBondContact OE2-N 3.33Å; Q532-K730 PolarHBondContact O-NZ 2.99Å
533	F	91.1	Very high	95.9	Very high	14 Å²	14	21 Å²	21	6%	0.061	11%	0.112	C	C	.	.	S	Bend	trans	-107.8	159.5	178.5	-58	-77.1	0	0	0	111.4	D438 F439 E442 P535 V689 K730 Y737	D438-F533 HydrophobicContact CB-CE2 3.84Å; D438-F533 HydrophobicContact CB-CZ 4.11Å; F439-F533 HydrophobicContact CD2-CE2 4.48Å; F439-F533 HydrophobicContact CD2-CZ 4.27Å; F439-F533 HydrophobicContact CE2-CE1 4.5Å; F439-F533 HydrophobicContact CE2-CZ 4.16Å; E442-F533 HydrophobicContact CB-CD2 4.02Å; E442-F533 HydrophobicContact CG-CB 4.22Å; E442-F533 HydrophobicContact CG-CD2 3.99Å; E442-F533 PolarHBondContact OE2-N 3.18Å; F533-P535 VanDerWaalsContact O-CD 3.26Å; F533-P535 WeakPolarHBondContact O-CD 3.39Å; F533-V689 HydrophobicContact CB-CB 4.05Å; F533-V689 HydrophobicContact CB-CG2 3.96Å; F533-V689 HydrophobicContact CD2-CG2 3.87Å; F533-V689 HydrophobicContact CG-CG2 3.92Å; F533-K730 HydrophobicContact CD1-CD 4.47Å; F533-K730 HydrophobicContact CE1-CD 4.21Å; F533-Y737 HydrophobicContact CD1-CE2 4.12Å; F533-Y737 HydrophobicContact CE1-CD2 4.07Å; F533-Y737 AromaticContact CE1-CE2 3.69Å; F533-Y737 HydrophobicContact CE1-CE2 3.69Å
534	Y	93.4	Very high	95.9	Very high	38 Å²	38	21.3 Å²	21.3	15%	0.149	11%	0.113	C	C	.	.			trans	-73.5	115.1	164.7	-168.8	-104.2	0	0	0	109.8	Q472 Y497 V536 G690 D727	Q472-Y534 VanDerWaalsContact OE1-CE1 3.25Å; Q472-Y534 VanDerWaalsContact OE1-CZ 3.23Å; Q472-Y534 PolarHBondContact OE1-OH 3.38Å; Y497-Y534 AromaticContact CD1-CD2 3.4Å; Y497-Y534 HydrophobicContact CD1-CD2 3.4Å; Y497-Y534 AromaticContact CD1-CE2 3.31Å; Y497-Y534 HydrophobicContact CD1-CE2 3.31Å; Y497-Y534 AromaticContact CE1-CD2 3.86Å; Y497-Y534 HydrophobicContact CE1-CD2 3.86Å; Y497-Y534 HydrophobicContact CE1-CE2 4.23Å; Y497-Y534 HydrophobicContact CG-CD2 4.15Å; Y497-Y534 AromaticContact CG-CE2 3.69Å; Y497-Y534 HydrophobicContact CG-CE2 3.69Å; Y534-V536 HydrophobicContact CD1-CB 3.74Å; Y534-V536 HydrophobicContact CD1-CG2 4.25Å; Y534-V536 HydrophobicContact CE1-CB 3.98Å; Y534-V536 HydrophobicContact CE1-CG2 4.08Å; Y534-V536 PolarHBondContact O-N 3.34Å; Y534-G690 WeakPolarHBondContact O-CA 3.48Å; Y534-G690 PolarHBondContact O-N 2.98Å; Y534-D727 WeakPolarHBondContact CB-OD2 3.43Å; Y534-D727 PolarHBondContact N-OD2 3.31Å; Y534-D727 VanDerWaalsContact N-OD2 3.17Å
535	P	95.8	Very high	95.9	Very high	3 Å²	3	26.2 Å²	26.2	2%	0.019	13%	0.134	C	C	.	.			trans	-81.8	58.4	-173.8	34.7	-35.8	0	0	0	111.2	Y497 F533 N537 L538 V539	Y497-P535 HydrophobicContact CD2-CG 4.17Å; Y497-P535 HydrophobicContact CE2-CG 3.73Å; F533-P535 VanDerWaalsContact O-CD 3.26Å; F533-P535 WeakPolarHBondContact O-CD 3.39Å; P535-N537 VanDerWaalsContact C-N 3.31Å; P535-N537 PolarHBondContact O-N 3.35Å; P535-N537 VanDerWaalsContact O-N 3.11Å; P535-L538 HydrophobicContact CB-CB 4.22Å; P535-L538 WeakPolarHBondContact O-CB 3.35Å; P535-L538 PolarHBondContact O-N 3.15Å; P535-V539 HydrophobicContact CG-CG2 3.97Å; P535-V539 WeakPolarHBondContact O-CG2 3.33Å; P535-V539 PolarHBondContact O-N 3.33Å
536	V	95.4	Very high	95.8	Very high	6 Å²	6	27 Å²	27	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-49.7	-45.5	-165.4	65.5	0	0	0	0	113.9	Y534 V539 R540 N694	Y534-V536 HydrophobicContact CD1-CB 3.74Å; Y534-V536 HydrophobicContact CD1-CG2 4.25Å; Y534-V536 HydrophobicContact CE1-CB 3.98Å; Y534-V536 HydrophobicContact CE1-CG2 4.08Å; Y534-V536 PolarHBondContact O-N 3.34Å; V536-V539 PolarHBondContact O-N 3.11Å; V536-R540 WeakPolarHBondContact O-CG 3.42Å; V536-R540 PolarHBondContact O-N 3.02Å; V536-N694 HydrophobicContact CG1-CB 3.61Å
537	N	97.3	Very high	95.8	Very high	1 Å²	1	27 Å²	27	1%	0.005	14%	0.139	C	C	.	.	H	α-helix	trans	-75.3	-35.2	-175.8	-80.7	-4	0	0	0	112	P535 R540 N541 D685 N694	P535-N537 VanDerWaalsContact C-N 3.31Å; P535-N537 PolarHBondContact O-N 3.35Å; P535-N537 VanDerWaalsContact O-N 3.11Å; N537-R540 PolarHBondContact O-N 3.44Å; N537-R540 PolarHBondContact OD1-NH1 2.92Å; N537-R540 VanDerWaalsContact OD1-NH1 3.12Å; N537-N541 WeakPolarHBondContact O-CB 3.43Å; N537-N541 PolarHBondContact O-N 2.75Å; N537-N541 PolarHBondContact O-ND2 2.86Å; N537-N541 VanDerWaalsContact O-ND2 3.15Å; N537-D685 WeakPolarHBondContact CB-O 3.44Å; N537-D685 PolarHBondContact ND2-O 2.84Å; N537-N694 PolarHBondContact ND2-O 2.93Å; N537-N694 VanDerWaalsContact ND2-O 3.15Å; N537-N694 WeakPolarHBondContact OD1-CB 3.47Å
538	L	97.7	Very high	95.6	Very high	29 Å²	29	29.9 Å²	29.9	15%	0.152	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-46.1	170.1	178.9	151.9	0	0	0	110.8	H447 V527 P535 R540 N541 V542	H447-L538 HydrophobicContact CB-CD2 4.4Å; V527-L538 HydrophobicContact CG1-CD2 3.87Å; P535-L538 HydrophobicContact CB-CB 4.22Å; P535-L538 WeakPolarHBondContact O-CB 3.35Å; P535-L538 PolarHBondContact O-N 3.15Å; L538-R540 PolarHBondContact O-N 2.8Å; L538-N541 WeakPolarHBondContact O-CB 2.92Å; L538-N541 PolarHBondContact O-N 3.05Å; L538-N541 VanDerWaalsContact O-N 3.15Å; L538-V542 HydrophobicContact CD2-CG2 4.26Å; L538-V542 WeakPolarHBondContact O-CG2 3.49Å; L538-V542 PolarHBondContact O-N 2.82Å
539	V	98	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-65.1	-40.6	179.9	-171.9	0	0	0	0	110.8	Q472 A495 Y497 V527 P535 V536 N541 V542 A543	Q472-V539 HydrophobicContact CB-CB 4.16Å; Q472-V539 HydrophobicContact CB-CG1 3.54Å; Q472-V539 HydrophobicContact CG-CG1 4.43Å; A495-V539 HydrophobicContact CB-CG1 3.45Å; A495-V539 VanDerWaalsContact CB-CG1 3.45Å; A495-V539 WeakPolarHBondContact CB-O 3.1Å; Y497-V539 HydrophobicContact CD2-CG2 4.28Å; V527-V539 HydrophobicContact CB-CG2 4.45Å; V527-V539 HydrophobicContact CG1-CG2 4.34Å; V527-V539 HydrophobicContact CG2-CG1 4.34Å; P535-V539 HydrophobicContact CG-CG2 3.97Å; P535-V539 WeakPolarHBondContact O-CG2 3.33Å; P535-V539 PolarHBondContact O-N 3.33Å; V536-V539 PolarHBondContact O-N 3.11Å; V539-N541 VanDerWaalsContact C-N 3.34Å; V539-N541 PolarHBondContact O-N 2.73Å; V539-V542 PolarHBondContact O-N 3.04Å; V539-A543 PolarHBondContact O-N 3.02Å
540	R	97.8	Very high	95.6	Very high	12 Å²	12	28 Å²	28	5%	0.045	15%	0.149	C	C	.	.	H	α-helix	trans	-58.9	-43.9	171	-74.8	-177.4	178.7	129	-1.8	112.1	Q472 V536 N537 L538 V542 A543 L544 D556 Y684 N694 K695	Q472-R540 HydrophobicContact CG-CG 3.69Å; V536-R540 WeakPolarHBondContact O-CG 3.42Å; V536-R540 PolarHBondContact O-N 3.02Å; N537-R540 PolarHBondContact O-N 3.44Å; N537-R540 PolarHBondContact OD1-NH1 2.92Å; N537-R540 VanDerWaalsContact OD1-NH1 3.12Å; L538-R540 PolarHBondContact O-N 2.8Å; R540-V542 VanDerWaalsContact C-N 3.33Å; R540-V542 PolarHBondContact O-N 2.69Å; R540-A543 PolarHBondContact O-N 3.5Å; R540-L544 WeakPolarHBondContact O-CB 3.36Å; R540-L544 PolarHBondContact O-N 3.08Å; R540-D556 IonicContact CZ-OD1 2.71Å; R540-D556 IonicContact NE-OD1 2.69Å; R540-D556 IonicContact NH2-OD1 3.81Å; R540-D556 PolarHBondContact NH2-OD1 2.82Å; R540-Y684 HydrophobicContact CB-CD2 3.72Å; R540-Y684 HydrophobicContact CB-CE2 3.93Å; R540-Y684 HydrophobicContact CB-CG 4.21Å; R540-Y684 HydrophobicContact CG-CE2 4.46Å; R540-N694 PolarHBondContact NH1-OD1 3.45Å; R540-K695 VanDerWaalsContact CZ-CG 3.43Å
541	N	98.4	Very high	95.9	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.011	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-35.9	179.1	-69.7	-23	0	0	0	112.3	N537 L538 V539 A543 L544 K545 Y684 Q686	N537-N541 WeakPolarHBondContact O-CB 3.43Å; N537-N541 PolarHBondContact O-N 2.75Å; N537-N541 PolarHBondContact O-ND2 2.86Å; N537-N541 VanDerWaalsContact O-ND2 3.15Å; L538-N541 WeakPolarHBondContact O-CB 2.92Å; L538-N541 PolarHBondContact O-N 3.05Å; L538-N541 VanDerWaalsContact O-N 3.15Å; V539-N541 VanDerWaalsContact C-N 3.34Å; V539-N541 PolarHBondContact O-N 2.73Å; N541-A543 VanDerWaalsContact C-N 3.34Å; N541-A543 PolarHBondContact O-N 2.77Å; N541-L544 PolarHBondContact O-N 3.44Å; N541-K545 VanDerWaalsContact O-CB 3.31Å; N541-K545 WeakPolarHBondContact O-CB 3.35Å; N541-K545 VanDerWaalsContact O-CG 3.23Å; N541-K545 WeakPolarHBondContact O-CG 3.44Å; N541-K545 PolarHBondContact O-N 3.46Å; N541-Y684 PolarHBondContact ND2-O 3.06Å; N541-Y684 WeakPolarHBondContact OD1-CD2 3.37Å; N541-Y684 PolarHBondContact OD1-N 3.16Å; N541-Q686 PolarHBondContact ND2-NE2 3.01Å
542	V	98.7	Very high	96.5	Very high	18 Å²	18	23.4 Å²	23.4	11%	0.109	11%	0.114	C	C	.	.	H	α-helix	trans	-60.6	-43.9	173.3	171.3	0	0	0	0	110.8	V449 L451 A495 H525 V527 L538 V539 R540 N546	V449-V542 HydrophobicContact CG1-CG1 3.96Å; V449-V542 HydrophobicContact CG2-CG2 4.34Å; L451-V542 HydrophobicContact CD2-CG1 4.3Å; A495-V542 HydrophobicContact CB-CB 4.17Å; A495-V542 HydrophobicContact CB-CG1 4.11Å; H525-V542 HydrophobicContact CB-CG1 3.84Å; V527-V542 HydrophobicContact CG2-CB 4.12Å; V527-V542 HydrophobicContact CG2-CG1 3.99Å; V527-V542 HydrophobicContact CG2-CG2 3.95Å; L538-V542 HydrophobicContact CD2-CG2 4.26Å; L538-V542 WeakPolarHBondContact O-CG2 3.49Å; L538-V542 PolarHBondContact O-N 2.82Å; V539-V542 PolarHBondContact O-N 3.04Å; R540-V542 VanDerWaalsContact C-N 3.33Å; R540-V542 PolarHBondContact O-N 2.69Å; V542-N546 PolarHBondContact O-ND2 2.91Å
543	A	98.6	Very high	97.1	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-67.2	-47.5	175.4	0	0	0	0	0	111.8	V470 S493 A495 V539 R540 N541 K545 N546 A547	V470-A543 HydrophobicContact CG1-CB 3.65Å; S493-A543 WeakPolarHBondContact CB-O 3.5Å; S493-A543 WeakPolarHBondContact OG-CA 3.35Å; S493-A543 PolarHBondContact OG-O 2.97Å; A495-A543 HydrophobicContact CB-CB 3.87Å; V539-A543 PolarHBondContact O-N 3.02Å; R540-A543 PolarHBondContact O-N 3.5Å; N541-A543 VanDerWaalsContact C-N 3.34Å; N541-A543 PolarHBondContact O-N 2.77Å; A543-K545 PolarHBondContact O-N 2.81Å; A543-N546 CarbonylContact O-C 3.59Å; A543-N546 PolarHBondContact O-N 2.72Å; A543-N546 VanDerWaalsContact O-N 3.13Å; A543-A547 PolarHBondContact O-N 3.26Å; A543-A547 VanDerWaalsContact O-N 3.15Å
544	L	98.6	Very high	97.4	Very high	6 Å²	6	16.9 Å²	16.9	3%	0.031	8%	0.084	C	C	.	.	H	α-helix	trans	-57.1	-47.5	-180	177	56.1	0	0	0	112.4	V470 R540 N541 N546 A547 V552 L554	V470-L544 HydrophobicContact CG1-CB 4.25Å; R540-L544 WeakPolarHBondContact O-CB 3.36Å; R540-L544 PolarHBondContact O-N 3.08Å; N541-L544 PolarHBondContact O-N 3.44Å; L544-N546 PolarHBondContact O-N 3.12Å; L544-A547 WeakPolarHBondContact O-CB 3.45Å; L544-A547 PolarHBondContact O-N 2.94Å; L544-V552 HydrophobicContact CD1-CB 4.3Å; L544-V552 HydrophobicContact CD1-CG1 4.02Å; L544-V552 HydrophobicContact CD1-CG2 3.85Å; L544-L554 HydrophobicContact CD1-CD2 4.11Å
545	K	98.1	Very high	97.5	Very high	106 Å²	106	15.4 Å²	15.4	46%	0.461	8%	0.079	S	C	.	.	H	α-helix	trans	-62.1	-25.8	179.6	-75.7	174.8	-177.9	178.1	0	113.8	N541 A543 E683	N541-K545 VanDerWaalsContact O-CB 3.31Å; N541-K545 WeakPolarHBondContact O-CB 3.35Å; N541-K545 VanDerWaalsContact O-CG 3.23Å; N541-K545 WeakPolarHBondContact O-CG 3.44Å; N541-K545 PolarHBondContact O-N 3.46Å; A543-K545 PolarHBondContact O-N 2.81Å; K545-E683 WeakPolarHBondContact CE-OE1 3.49Å; K545-E683 WeakPolarHBondContact CE-OE2 3.4Å; K545-E683 IonicContact NZ-OE1 3.62Å; K545-E683 PolarHBondContact NZ-OE1 3.32Å; K545-E683 IonicContact NZ-OE2 3.09Å; K545-E683 PolarHBondContact NZ-OE2 3.15Å
546	N	97.7	Very high	97.4	Very high	15 Å²	15	16.2 Å²	16.2	8%	0.08	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	10	-176	-67	-76.6	0	0	0	113.3	R173 L451 Y452 H525 V542 A543 L544	R173-N546 PolarHBondContact NH2-OD1 3.23Å; L451-N546 WeakPolarHBondContact CD2-ND2 3.39Å; Y452-N546 PolarHBondContact OH-O 2.89Å; H525-N546 WeakPolarHBondContact CE1-CB 3.48Å; H525-N546 WeakPolarHBondContact NE2-CB 3.26Å; V542-N546 PolarHBondContact O-ND2 2.91Å; A543-N546 CarbonylContact O-C 3.59Å; A543-N546 PolarHBondContact O-N 2.72Å; A543-N546 VanDerWaalsContact O-N 3.13Å; L544-N546 PolarHBondContact O-N 3.12Å
547	A	97.3	Very high	97.4	Very high	2 Å²	2	16.1 Å²	16.1	2%	0.017	8%	0.082	C	C	.	.			trans	-69.1	130.1	162.7	0	0	0	0	0	109.8	T468 V470 A543 L544 V552 R679	T468-A547 HydrophobicContact CG2-CB 3.78Å; V470-A547 HydrophobicContact CG2-CB 4.12Å; A543-A547 PolarHBondContact O-N 3.26Å; A543-A547 VanDerWaalsContact O-N 3.15Å; L544-A547 WeakPolarHBondContact O-CB 3.45Å; L544-A547 PolarHBondContact O-N 2.94Å; A547-V552 HydrophobicContact CB-CG1 3.72Å; A547-R679 WeakPolarHBondContact O-CD 3.24Å
548	N	94.3	Very high	97.2	Very high	60 Å²	60	17 Å²	17	32%	0.321	9%	0.087	S	C	.	.			trans	-104.5	14.8	-174.7	-63.7	-41.5	0	0	0	113.1	Y452 Y456 Y458	Y452-N548 PolarHBondContact OH-ND2 3.41Å; Y456-N548 WeakPolarHBondContact CE1-ND2 3.22Å; Y456-N548 PolarHBondContact OH-ND2 3.41Å; Y458-N548 HydrophobicContact CD1-CB 4.2Å; Y458-N548 HydrophobicContact CE1-CB 4.36Å
549	T	97.3	Very high	97.2	Very high	3 Å²	3	15.7 Å²	15.7	2%	0.018	8%	0.08	C	C	.	.	S	Bend	trans	-108.2	162.2	179.2	53.8	0	0	0	0	112	Y458 D466 T468 P491 Y551 R679	Y458-T549 HydrophobicContact CE1-CG2 4.17Å; Y458-T549 WeakPolarHBondContact OH-CG2 3.49Å; D466-T549 HydrophobicContact CB-CG2 3.64Å; D466-T549 WeakPolarHBondContact O-CB 3.44Å; T468-T549 WeakPolarHBondContact CB-OG1 3.47Å; T468-T549 PolarHBondContact N-OG1 3.14Å; T468-T549 WeakPolarHBondContact OG1-CB 3.48Å; T468-T549 WeakPolarHBondContact OG1-CG2 3.45Å; T468-T549 PolarHBondContact OG1-OG1 3.4Å; P491-T549 HydrophobicContact CB-CG2 4.47Å; P491-T549 HydrophobicContact CG-CG2 3.48Å; P491-T549 VanDerWaalsContact CG-CG2 3.48Å; T549-Y551 VanDerWaalsContact C-N 3.31Å; T549-Y551 PolarHBondContact O-N 3.36Å; T549-Y551 PolarHBondContact OG1-O 3.08Å; T549-R679 WeakPolarHBondContact O-CD 3.41Å; T549-R679 PolarHBondContact O-NE 3.15Å
550	P	97.1	Very high	97.1	Very high	32 Å²	32	16.2 Å²	16.2	21%	0.208	8%	0.083	C	C	.	.	S	Bend	trans	-68.2	-30.1	175.8	-20.8	34.1	0	0	0	113.4	D464 R679	D464-P550 HydrophobicContact CB-CG 4.38Å; D464-P550 WeakPolarHBondContact O-CG 3.37Å; D464-P550 WeakPolarHBondContact OD1-CG 3.44Å; P550-R679 WeakPolarHBondContact O-CB 3.46Å; P550-R679 PolarHBondContact O-N 3.16Å
551	Y	98.5	Very high	97.1	Very high	14 Å²	14	15.6 Å²	15.6	6%	0.055	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	151.5	-179.8	-56.2	-86.1	0	0	0	111.5	D464 D466 V467 T468 T549 I573 V578 A579 V677 R678	D464-Y551 WeakPolarHBondContact O-CE2 3.35Å; D466-Y551 PolarHBondContact O-N 3.38Å; V467-Y551 WeakPolarHBondContact CA-O 3.43Å; T468-Y551 PolarHBondContact N-O 3.41Å; T549-Y551 VanDerWaalsContact C-N 3.31Å; T549-Y551 PolarHBondContact O-N 3.36Å; T549-Y551 PolarHBondContact OG1-O 3.08Å; Y551-I573 HydrophobicContact CD1-CD1 4.02Å; Y551-I573 HydrophobicContact CD1-CG1 4.26Å; Y551-I573 HydrophobicContact CD1-CG2 4.49Å; Y551-I573 HydrophobicContact CD2-CD1 3.7Å; Y551-I573 HydrophobicContact CD2-CG1 4.49Å; Y551-I573 HydrophobicContact CD2-CG2 4.14Å; Y551-I573 HydrophobicContact CE1-CD1 4.49Å; Y551-I573 HydrophobicContact CE1-CG1 4.38Å; Y551-I573 HydrophobicContact CE1-CG2 3.89Å; Y551-I573 HydrophobicContact CE2-CD1 4.23Å; Y551-I573 HydrophobicContact CE2-CG2 3.53Å; Y551-I573 HydrophobicContact CG-CD1 3.59Å; Y551-I573 HydrophobicContact CG-CG1 4.32Å; Y551-V578 HydrophobicContact CD1-CG1 4.31Å; Y551-V578 HydrophobicContact CE1-CB 4.12Å; Y551-V578 HydrophobicContact CE1-CG1 3.77Å; Y551-A579 VanDerWaalsContact OH-CA 3.29Å; Y551-A579 WeakPolarHBondContact OH-CA 3.49Å; Y551-A579 WeakPolarHBondContact OH-CB 3.23Å; Y551-A579 PolarHBondContact OH-N 3.25Å; Y551-V677 CarbonylContact C-O 3.24Å; Y551-V677 WeakPolarHBondContact CA-O 3.39Å; Y551-R678 HydrophobicContact CD1-CB 4.43Å; Y551-R678 HydrophobicContact CD1-CG 3.83Å; Y551-R678 HydrophobicContact CE1-CB 4.5Å; Y551-R678 HydrophobicContact CE1-CG 3.45Å; Y551-R678 VanDerWaalsContact CE1-CG 3.45Å
552	V	98.6	Very high	97	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	138.3	179.3	-67.3	0	0	0	0	110.2	T468 V470 L544 A547 L554 V676 V677 R679	T468-V552 CarbonylContact O-C 3.52Å; T468-V552 WeakPolarHBondContact O-CA 3.11Å; V470-V552 HydrophobicContact CG2-CB 3.86Å; V470-V552 HydrophobicContact CG2-CG1 3.84Å; L544-V552 HydrophobicContact CD1-CB 4.3Å; L544-V552 HydrophobicContact CD1-CG1 4.02Å; L544-V552 HydrophobicContact CD1-CG2 3.85Å; A547-V552 HydrophobicContact CB-CG1 3.72Å; V552-L554 HydrophobicContact CB-CD2 4.17Å; V552-L554 HydrophobicContact CG2-CD2 3.77Å; V552-L554 HydrophobicContact CG2-CG 4.15Å; V552-V676 VanDerWaalsContact O-CA 3.28Å; V552-V676 WeakPolarHBondContact O-CA 3.35Å; V552-V677 HydrophobicContact CG2-CG2 3.83Å; V552-V677 PolarHBondContact N-O 3.31Å; V552-V677 PolarHBondContact O-N 3.31Å; V552-R679 HydrophobicContact CG1-CB 3.99Å; V552-R679 HydrophobicContact CG1-CG 3.93Å
553	F	98.7	Very high	96.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	105.7	168.9	-178	-155.3	0	0	0	109	V467 T468 L469 V470 W488 T555 L565 L569 V587 V676 M717	V467-F553 HydrophobicContact CG1-CB 3.88Å; T468-F553 PolarHBondContact O-N 2.68Å; L469-F553 HydrophobicContact CD1-CD1 4.43Å; L469-F553 HydrophobicContact CG-CD1 4.49Å; V470-F553 PolarHBondContact N-O 3.41Å; W488-F553 HydrophobicContact CH2-CB 4.33Å; W488-F553 AromaticContact CH2-CD1 3.98Å; W488-F553 HydrophobicContact CH2-CD1 3.98Å; W488-F553 AromaticContact CZ3-CD1 3.92Å; W488-F553 HydrophobicContact CZ3-CD1 3.92Å; W488-F553 HydrophobicContact CZ3-CE1 4.43Å; F553-T555 PolarHBondContact O-N 2.98Å; F553-L565 HydrophobicContact CE1-CD2 3.77Å; F553-L565 HydrophobicContact CZ-CD2 4.24Å; F553-L569 HydrophobicContact CD1-CD1 4.47Å; F553-V587 HydrophobicContact CE2-CB 3.93Å; F553-V587 HydrophobicContact CE2-CG1 4.49Å; F553-V587 HydrophobicContact CE2-CG2 3.72Å; F553-V587 HydrophobicContact CZ-CB 3.92Å; F553-V587 HydrophobicContact CZ-CG1 3.97Å; F553-V587 HydrophobicContact CZ-CG2 3.85Å; F553-V676 HydrophobicContact CB-CG2 3.91Å; F553-V676 HydrophobicContact CD2-CG2 3.51Å; F553-V676 HydrophobicContact CE2-CG2 4.2Å; F553-V676 HydrophobicContact CG-CG2 3.84Å; F553-M717 HydrophobicContact CE1-CE 3.65Å; F553-M717 HydrophobicContact CE2-CE 4.19Å; F553-M717 HydrophobicContact CE2-SD 4.36Å; F553-M717 HydrophobicContact CZ-CE 3.24Å; F553-M717 HydrophobicContact CZ-SD 3.71Å
554	L	98.3	Very high	96.9	Very high	7 Å²	7	22.9 Å²	22.9	4%	0.037	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	107.9	-175.1	-57	179.7	0	0	0	109.7	V470 L544 V552 V675 V677 Y684 H698	V470-L554 HydrophobicContact CB-CD2 4Å; V470-L554 HydrophobicContact CG1-CD2 4.19Å; V470-L554 HydrophobicContact CG2-CD2 4.4Å; L544-L554 HydrophobicContact CD1-CD2 4.11Å; V552-L554 HydrophobicContact CB-CD2 4.17Å; V552-L554 HydrophobicContact CG2-CD2 3.77Å; V552-L554 HydrophobicContact CG2-CG 4.15Å; L554-V675 HydrophobicContact CD1-CG2 4.23Å; L554-V675 PolarHBondContact N-O 3.37Å; L554-V677 HydrophobicContact CD1-CG2 3.96Å; L554-V677 HydrophobicContact CG-CG2 4.4Å; L554-Y684 WeakPolarHBondContact CB-OH 3.46Å; L554-Y684 HydrophobicContact CD1-CE2 4.39Å; L554-H698 WeakPolarHBondContact CD1-CE1 3.24Å
555	T	95.8	Very high	96.8	Very high	7 Å²	7	22.6 Å²	22.6	4%	0.043	12%	0.118	C	C	.	.			trans	-136.2	165	-175.8	-171.9	0	0	0	0	113.1	L469 V470 A471 F553 M717	L469-T555 HydrophobicContact CD1-CG2 4.05Å; L469-T555 HydrophobicContact CD2-CG2 3.51Å; L469-T555 HydrophobicContact CG-CG2 3.6Å; V470-T555 PolarHBondContact O-N 2.83Å; V470-T555 VanDerWaalsContact O-O 3.12Å; A471-T555 WeakPolarHBondContact CA-O 3.49Å; A471-T555 HydrophobicContact CB-CG2 4.15Å; F553-T555 PolarHBondContact O-N 2.98Å; T555-M717 WeakPolarHBondContact OG1-CE 3.22Å
556	D	94.1	Very high	96.8	Very high	21 Å²	21	18.5 Å²	18.5	11%	0.112	10%	0.099	C	C	.	.			trans	-92.7	153.1	165.2	-57.1	-47.8	0	0	0	109.9	R540 D558 F559 Y674 K695	R540-D556 IonicContact CZ-OD1 2.71Å; R540-D556 IonicContact NE-OD1 2.69Å; R540-D556 IonicContact NH2-OD1 3.81Å; R540-D556 PolarHBondContact NH2-OD1 2.82Å; D556-D558 PolarHBondContact O-N 2.89Å; D556-F559 HydrophobicContact CB-CD2 3.92Å; D556-F559 HydrophobicContact CB-CE2 4.13Å; D556-F559 PolarHBondContact O-N 3.46Å; D556-Y674 HydrophobicContact CB-CE1 4.41Å; D556-Y674 WeakPolarHBondContact OD2-CE1 3.31Å; D556-Y674 PolarHBondContact OD2-OH 2.81Å; D556-K695 IonicContact OD2-NZ 2.68Å; D556-K695 PolarHBondContact OD2-NZ 3.32Å
557	V	94.9	Very high	96.8	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.024	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.5	-178.5	75.4	0	0	0	0	113.3	L473 R477 M480 L481 I484 F559	L473-V557 HydrophobicContact CB-CB 4.11Å; L473-V557 HydrophobicContact CB-CG1 3.86Å; L473-V557 HydrophobicContact CB-CG2 4.05Å; L473-V557 HydrophobicContact CD1-CG2 4.27Å; R477-V557 HydrophobicContact CB-CG1 3.74Å; R477-V557 HydrophobicContact CG-CG1 4.04Å; M480-V557 HydrophobicContact CB-CG2 4.01Å; M480-V557 WeakPolarHBondContact CB-O 3.3Å; L481-V557 HydrophobicContact CD2-CG2 4.12Å; I484-V557 HydrophobicContact CD1-CB 4.27Å; I484-V557 HydrophobicContact CD1-CG2 3.48Å; I484-V557 VanDerWaalsContact CD1-CG2 3.48Å; I484-V557 VanDerWaalsContact CD1-O 3.24Å; I484-V557 WeakPolarHBondContact CD1-O 3.35Å; V557-F559 PolarHBondContact O-N 3.3Å
558	D	93.8	Very high	96.9	Very high	18 Å²	18	23.1 Å²	23.1	10%	0.096	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	4	-178.4	-67.9	-39	0	0	0	113.2	R477 D556 H719 M720 H722	R477-D558 WeakPolarHBondContact CD-OD1 3.46Å; R477-D558 IonicContact NE-OD1 2.65Å; R477-D558 PolarHBondContact NE-OD1 3.34Å; R477-D558 IonicContact NE-OD2 3.7Å; R477-D558 PolarHBondContact NE-OD2 3.18Å; R477-D558 VanDerWaalsContact NE-OD2 3.16Å; D556-D558 PolarHBondContact O-N 2.89Å; D558-H719 WeakPolarHBondContact O-CA 3.36Å; D558-M720 PolarHBondContact O-N 3.12Å; D558-H722 IonicContact OD1-CD2 3.56Å; D558-H722 IonicContact OD2-CD2 3.83Å; D558-H722 PolarHBondContact OD2-CD2 3.07Å; D558-H722 IonicContact OD2-CE1 3.06Å; D558-H722 IonicContact OD2-CG 2.67Å; D558-H722 IonicContact OD2-NE2 3.16Å; D558-H722 PolarHBondContact OD2-NE2 2.87Å
559	F	96.3	Very high	97	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.009	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.8	178.9	-70	-102.2	0	0	0	112.2	D556 V557 A589 F618 Y674 M717 I718 H719	D556-F559 HydrophobicContact CB-CD2 3.92Å; D556-F559 HydrophobicContact CB-CE2 4.13Å; D556-F559 PolarHBondContact O-N 3.46Å; V557-F559 PolarHBondContact O-N 3.3Å; F559-A589 HydrophobicContact CE1-CB 3.91Å; F559-F618 HydrophobicContact CE1-CD1 4.43Å; F559-F618 HydrophobicContact CE1-CD2 4.44Å; F559-F618 HydrophobicContact CE1-CE1 4.43Å; F559-F618 HydrophobicContact CE1-CE2 4.39Å; F559-F618 HydrophobicContact CE1-CG 4.45Å; F559-F618 HydrophobicContact CE1-CZ 4.4Å; F559-F618 HydrophobicContact CE2-CZ 4.36Å; F559-F618 HydrophobicContact CZ-CD1 4.2Å; F559-F618 HydrophobicContact CZ-CD2 4.26Å; F559-F618 AromaticContact CZ-CE1 3.76Å; F559-F618 HydrophobicContact CZ-CE1 3.76Å; F559-F618 AromaticContact CZ-CE2 3.78Å; F559-F618 HydrophobicContact CZ-CE2 3.78Å; F559-F618 HydrophobicContact CZ-CG 4.45Å; F559-F618 AromaticContact CZ-CZ 3.52Å; F559-F618 HydrophobicContact CZ-CZ 3.52Å; F559-Y674 HydrophobicContact CD1-CE2 4.3Å; F559-Y674 HydrophobicContact CD2-CE1 4.31Å; F559-Y674 AromaticContact CD2-CZ 3.96Å; F559-Y674 HydrophobicContact CE1-CD2 4.36Å; F559-Y674 AromaticContact CE1-CE2 3.61Å; F559-Y674 HydrophobicContact CE1-CE2 3.61Å; F559-Y674 AromaticContact CE1-CZ 3.93Å; F559-Y674 HydrophobicContact CE2-CE1 4.13Å; F559-Y674 AromaticContact CE2-CE2 3.97Å; F559-Y674 HydrophobicContact CE2-CE2 3.97Å; F559-Y674 AromaticContact CE2-CZ 3.39Å; F559-Y674 WeakPolarHBondContact CE2-OH 3.45Å; F559-Y674 HydrophobicContact CZ-CE1 4.43Å; F559-Y674 AromaticContact CZ-CE2 3.43Å; F559-Y674 HydrophobicContact CZ-CE2 3.43Å; F559-Y674 VanDerWaalsContact CZ-CE2 3.43Å; F559-Y674 AromaticContact CZ-CZ 3.36Å; F559-Y674 WeakPolarHBondContact CZ-OH 3.33Å; F559-M717 HydrophobicContact CB-CE 3.7Å; F559-M717 HydrophobicContact CB-SD 4.45Å; F559-M717 HydrophobicContact CD1-CB 4.49Å; F559-M717 HydrophobicContact CD1-CE 4.47Å; F559-M717 HydrophobicContact CD1-CG 3.83Å; F559-M717 HydrophobicContact CD1-SD 4.14Å; F559-M717 HydrophobicContact CG-CE 4.3Å; F559-M717 HydrophobicContact CG-SD 4.48Å; F559-I718 WeakPolarHBondContact CA-O 3.4Å; F559-H719 HydrophobicContact CD1-CB 3.93Å; F559-H719 AromaticContact CD2-CD2 3.93Å; F559-H719 HydrophobicContact CE1-CB 3.49Å; F559-H719 VanDerWaalsContact CE1-CB 3.49Å; F559-H719 HydrophobicContact CE2-CB 4.28Å; F559-H719 AromaticContact CE2-CD2 3.37Å; F559-H719 WeakPolarHBondContact CE2-CD2 3.23Å; F559-H719 HydrophobicContact CZ-CB 3.67Å; F559-H719 AromaticContact CZ-CD2 3.54Å; F559-H719 AromaticContact CZ-CG 3.87Å
560	L	97.1	Very high	97.1	Very high	11 Å²	11	22.8 Å²	22.8	6%	0.058	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	119.9	170.9	-64.3	-178.3	0	0	0	109.5	M480 A483 I484 F599 M717 I718 M720	M480-L560 HydrophobicContact CE-CD2 3.8Å; M480-L560 HydrophobicContact CE-CG 3.94Å; A483-L560 HydrophobicContact CB-CD1 4.27Å; A483-L560 HydrophobicContact CB-CD2 3.64Å; I484-L560 HydrophobicContact CG1-CD2 3.97Å; L560-F599 HydrophobicContact CB-CD2 4.38Å; L560-F599 HydrophobicContact CB-CE2 3.57Å; L560-F599 HydrophobicContact CB-CZ 4.2Å; L560-F599 HydrophobicContact CD1-CD2 4.38Å; L560-F599 HydrophobicContact CD1-CE2 4.33Å; L560-F599 WeakPolarHBondContact O-CZ 3.29Å; L560-M717 WeakPolarHBondContact O-CA 3.36Å; L560-I718 PolarHBondContact N-O 3.04Å; L560-I718 PolarHBondContact O-N 3Å; L560-M720 HydrophobicContact CD1-CG 3.79Å; L560-M720 HydrophobicContact CD1-SD 4.01Å; L560-M720 HydrophobicContact CG-CG 3.91Å
561	P	97.6	Very high	97.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	155.8	174.3	26.9	-30	0	0	0	111.1	L469 H487 W488 L565	L469-P561 HydrophobicContact CD1-CG 4.44Å; H487-P561 HydrophobicContact CB-CG 3.94Å; H487-P561 PolarHBondContact ND1-O 2.88Å; W488-P561 HydrophobicContact CB-CG 4.16Å; W488-P561 HydrophobicContact CE3-CB 4.38Å; W488-P561 HydrophobicContact CE3-CG 4.15Å; P561-L565 HydrophobicContact CB-CB 4.28Å; P561-L565 HydrophobicContact CB-CD2 3.5Å; P561-L565 VanDerWaalsContact CB-CD2 3.5Å
562	M	96.8	Very high	97.1	Very high	25 Å²	25	27 Å²	27	12%	0.123	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-61.7	149.1	169.3	67.4	175.4	-94.1	0	0	112	G564 L565 F599 F716	M562-G564 PolarHBondContact O-N 3.35Å; M562-L565 HydrophobicContact CG-CB 3.76Å; M562-L565 HydrophobicContact CG-CD1 4.09Å; M562-L565 HydrophobicContact CG-CG 4.34Å; M562-L565 WeakPolarHBondContact O-CB 3.48Å; M562-L565 PolarHBondContact O-N 2.84Å; M562-L565 VanDerWaalsContact O-N 3.16Å; M562-L565 HydrophobicContact SD-CD1 4.42Å; M562-F599 HydrophobicContact CB-CE1 4.48Å; M562-F716 HydrophobicContact CB-CD1 4.12Å; M562-F716 HydrophobicContact CB-CD2 4.04Å; M562-F716 HydrophobicContact CB-CE1 3.75Å; M562-F716 HydrophobicContact CB-CE2 3.65Å; M562-F716 HydrophobicContact CB-CG 4.26Å; M562-F716 HydrophobicContact CB-CZ 3.51Å; M562-F716 HydrophobicContact CE-CE1 4.49Å; M562-F716 HydrophobicContact CG-CD1 4.36Å; M562-F716 HydrophobicContact CG-CE1 4.29Å; M562-F716 PolarHBondContact N-O 3.43Å; M562-F716 VanDerWaalsContact N-O 3.1Å; M562-F716 HydrophobicContact SD-CD1 3.57Å; M562-F716 VanDerWaalsContact SD-CD1 3.57Å; M562-F716 HydrophobicContact SD-CE1 3.6Å; M562-F716 HydrophobicContact SD-CG 4.31Å; M562-F716 HydrophobicContact SD-CZ 4.36Å
563	Y	96.6	Very high	97	Very high	111 Å²	111	27.1 Å²	27.1	44%	0.435	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	138.8	172.9	-66.4	-77	0	0	0	110.7	H487 L565 F599	H487-Y563 AromaticContact CE1-CE2 3.54Å; H487-Y563 AromaticContact CE1-CZ 3.43Å; H487-Y563 VanDerWaalsContact CE1-CZ 3.43Å; H487-Y563 PolarHBondContact CE1-OH 3.27Å; H487-Y563 AromaticContact ND1-CE2 3.99Å; H487-Y563 AromaticContact ND1-CZ 3.85Å; H487-Y563 AromaticContact NE2-CZ 3.55Å; H487-Y563 PolarHBondContact NE2-OH 2.79Å; H487-Y563 VanDerWaalsContact NE2-OH 3.08Å; Y563-L565 PolarHBondContact O-N 2.82Å; Y563-F599 HydrophobicContact CD2-CD1 4.2Å; Y563-F599 HydrophobicContact CE2-CB 4.4Å; Y563-F599 AromaticContact CE2-CD1 3.98Å; Y563-F599 HydrophobicContact CE2-CD1 3.98Å; Y563-F599 HydrophobicContact CE2-CG 4.41Å
564	G	97.1	Very high	96.9	Very high	36 Å²	36	31.9 Å²	31.9	37%	0.371	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	7.9	-177.3	0	0	0	0	0	114.9	M562 Y566 D567 Y568	M562-G564 PolarHBondContact O-N 3.35Å; G564-Y566 PolarHBondContact O-N 3.41Å; G564-D567 PolarHBondContact O-N 2.8Å; G564-Y568 PolarHBondContact O-N 3.38Å; G564-Y568 VanDerWaalsContact O-N 3.15Å
565	L	98.1	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-36.8	179.1	-175.5	59.8	0	0	0	112.1	W488 F553 P561 M562 Y563 Y568 L569 V587 A715	W488-L565 HydrophobicContact CZ3-CB 4.24Å; W488-L565 HydrophobicContact CZ3-CD2 4.21Å; W488-L565 HydrophobicContact CZ3-CG 4.1Å; F553-L565 HydrophobicContact CE1-CD2 3.77Å; F553-L565 HydrophobicContact CZ-CD2 4.24Å; P561-L565 HydrophobicContact CB-CB 4.28Å; P561-L565 HydrophobicContact CB-CD2 3.5Å; P561-L565 VanDerWaalsContact CB-CD2 3.5Å; M562-L565 HydrophobicContact CG-CB 3.76Å; M562-L565 HydrophobicContact CG-CD1 4.09Å; M562-L565 HydrophobicContact CG-CG 4.34Å; M562-L565 WeakPolarHBondContact O-CB 3.48Å; M562-L565 PolarHBondContact O-N 2.84Å; M562-L565 VanDerWaalsContact O-N 3.16Å; M562-L565 HydrophobicContact SD-CD1 4.42Å; Y563-L565 PolarHBondContact O-N 2.82Å; L565-Y568 HydrophobicContact CD1-CD1 4.06Å; L565-Y568 PolarHBondContact O-N 2.99Å; L565-L569 HydrophobicContact CD1-CD1 4.23Å; L565-L569 HydrophobicContact CD1-CD2 4.35Å; L565-L569 HydrophobicContact CD1-CG 4Å; L565-L569 HydrophobicContact CD2-CD1 4.35Å; L565-L569 HydrophobicContact CG-CD1 3.82Å; L565-L569 HydrophobicContact CG-CG 4.09Å; L565-L569 WeakPolarHBondContact O-CB 3.41Å; L565-L569 VanDerWaalsContact O-CG 3.24Å; L565-L569 WeakPolarHBondContact O-CG 3.5Å; L565-L569 PolarHBondContact O-N 2.95Å; L565-V587 HydrophobicContact CD2-CG1 4.34Å; L565-A715 HydrophobicContact CD1-CB 3.54Å
566	Y	97.8	Very high	96.9	Very high	21 Å²	21	40 Å²	40	8%	0.082	20%	0.197	C	C	.	.	H	α-helix	trans	-54.2	-56.1	178.6	179.3	-114.6	0	0	0	112.3	D466 V467 W488 G490 G564 Y568 L569 R570	D466-Y566 PolarHBondContact OD1-OH 2.86Å; V467-Y566 HydrophobicContact CB-CD2 4.37Å; V467-Y566 HydrophobicContact CB-CE2 4.17Å; V467-Y566 VanDerWaalsContact O-CE2 3.3Å; V467-Y566 WeakPolarHBondContact O-CE2 3.33Å; W488-Y566 AromaticContact CE2-CD2 3.95Å; W488-Y566 AromaticContact CH2-CD2 3.9Å; W488-Y566 HydrophobicContact CH2-CD2 3.9Å; W488-Y566 AromaticContact CZ2-CD2 3.54Å; W488-Y566 HydrophobicContact CZ2-CD2 3.54Å; W488-Y566 HydrophobicContact CZ2-CE2 4.27Å; W488-Y566 HydrophobicContact CZ2-CG 4.48Å; G490-Y566 VanDerWaalsContact CA-CE2 3.48Å; G564-Y566 PolarHBondContact O-N 3.41Å; Y566-Y568 VanDerWaalsContact C-N 3.31Å; Y566-Y568 PolarHBondContact O-N 3.03Å; Y566-L569 PolarHBondContact O-N 3.35Å; Y566-R570 WeakPolarHBondContact O-CG 3.29Å; Y566-R570 PolarHBondContact O-N 3.17Å; Y566-R570 VanDerWaalsContact O-N 3.08Å
567	D	97.4	Very high	97	Very high	64 Å²	64	42.3 Å²	42.3	34%	0.342	21%	0.21	S	C	.	.	H	α-helix	trans	-66.1	-34.6	179.4	-70	-25.6	0	0	0	112.7	G564 L569 K571	G564-D567 PolarHBondContact O-N 2.8Å; D567-L569 VanDerWaalsContact C-N 3.32Å; D567-K571 WeakPolarHBondContact O-CG 3.34Å; D567-K571 PolarHBondContact O-N 3.13Å; D567-K571 VanDerWaalsContact O-N 3.12Å
568	Y	97.9	Very high	97	Very high	50 Å²	50	42.2 Å²	42.2	20%	0.196	21%	0.209	C	C	.	.	H	α-helix	trans	-62.2	-41.6	174.9	177	-103.6	0	0	0	111.6	G564 L565 Y566 K571 S572 L712 P713 N714 A715	G564-Y568 PolarHBondContact O-N 3.38Å; G564-Y568 VanDerWaalsContact O-N 3.15Å; L565-Y568 HydrophobicContact CD1-CD1 4.06Å; L565-Y568 PolarHBondContact O-N 2.99Å; Y566-Y568 VanDerWaalsContact C-N 3.31Å; Y566-Y568 PolarHBondContact O-N 3.03Å; Y568-K571 PolarHBondContact O-N 2.88Å; Y568-S572 WeakPolarHBondContact O-CB 3.34Å; Y568-S572 PolarHBondContact O-N 2.68Å; Y568-S572 PolarHBondContact O-OG 3.43Å; Y568-L712 HydrophobicContact CE1-CB 4.12Å; Y568-L712 HydrophobicContact CE1-CD1 3.98Å; Y568-L712 HydrophobicContact CE1-CG 4.48Å; Y568-P713 WeakPolarHBondContact OH-CD 3.32Å; Y568-N714 HydrophobicContact CE2-CB 4.07Å; Y568-A715 HydrophobicContact CD1-CB 4.01Å; Y568-A715 HydrophobicContact CE1-CB 3.7Å
569	L	98.3	Very high	97	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-44.6	178.1	-70.5	171.7	0	0	0	111.7	V467 W488 F553 L565 Y566 D567 K571 S572 I573 V587 V676 L712	V467-L569 HydrophobicContact CG2-CB 4.2Å; W488-L569 HydrophobicContact CH2-CD1 3.66Å; W488-L569 HydrophobicContact CZ3-CD1 3.88Å; F553-L569 HydrophobicContact CD1-CD1 4.47Å; L565-L569 HydrophobicContact CD1-CD1 4.23Å; L565-L569 HydrophobicContact CD1-CD2 4.35Å; L565-L569 HydrophobicContact CD1-CG 4Å; L565-L569 HydrophobicContact CD2-CD1 4.35Å; L565-L569 HydrophobicContact CG-CD1 3.82Å; L565-L569 HydrophobicContact CG-CG 4.09Å; L565-L569 WeakPolarHBondContact O-CB 3.41Å; L565-L569 VanDerWaalsContact O-CG 3.24Å; L565-L569 WeakPolarHBondContact O-CG 3.5Å; L565-L569 PolarHBondContact O-N 2.95Å; Y566-L569 PolarHBondContact O-N 3.35Å; D567-L569 VanDerWaalsContact C-N 3.32Å; L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 2.85Å; L569-S572 WeakPolarHBondContact O-CB 3.48Å; L569-S572 PolarHBondContact O-N 3.44Å; L569-S572 VanDerWaalsContact O-N 3.08Å; L569-I573 WeakPolarHBondContact O-CG1 3.46Å; L569-I573 PolarHBondContact O-N 3Å; L569-V587 HydrophobicContact CD2-CG2 4.34Å; L569-V676 HydrophobicContact CD1-CG2 3.7Å; L569-V676 HydrophobicContact CD2-CB 4.44Å; L569-V676 HydrophobicContact CD2-CG2 3.7Å; L569-V676 HydrophobicContact CG-CG2 4.27Å; L569-L712 HydrophobicContact CD2-CD1 3.47Å; L569-L712 VanDerWaalsContact CD2-CD1 3.47Å
570	R	97.8	Very high	96.9	Very high	55 Å²	55	50.6 Å²	50.6	21%	0.208	25%	0.253	C	S	.	.	H	α-helix	trans	-54.4	-46.9	174.6	-68.8	-179.1	63.9	-163.7	6.7	112	D463 T465 D466 V467 Y566 I573 V574	D463-R570 VanDerWaalsContact CG-NH2 3.27Å; D463-R570 IonicContact OD1-CZ 2.72Å; D463-R570 IonicContact OD1-NH2 2.68Å; D463-R570 PolarHBondContact OD1-NH2 3.23Å; D463-R570 IonicContact OD2-CZ 2.91Å; D463-R570 IonicContact OD2-NH2 3.87Å; D463-R570 PolarHBondContact OD2-NH2 3.3Å; T465-R570 WeakPolarHBondContact O-CG 3.5Å; T465-R570 PolarHBondContact OG1-NE 3.35Å; T465-R570 PolarHBondContact OG1-NH2 3.47Å; D466-R570 IonicContact OD1-CZ 3.74Å; D466-R570 IonicContact OD1-NE 2.77Å; D466-R570 IonicContact OD1-NH2 2.77Å; V467-R570 HydrophobicContact CG2-CG 4.45Å; Y566-R570 WeakPolarHBondContact O-CG 3.29Å; Y566-R570 PolarHBondContact O-N 3.17Å; Y566-R570 VanDerWaalsContact O-N 3.08Å; R570-I573 PolarHBondContact O-N 3.47Å; R570-V574 PolarHBondContact O-N 3.08Å
571	K	97.4	Very high	96.8	Very high	132 Å²	132	52.2 Å²	52.2	57%	0.574	26%	0.264	S	S	*	.	H	α-helix	trans	-63.8	-41.7	175.5	-69.8	169.3	-175	170.1	0	112.2	D567 Y568 L569 I573 V574 Q575	D567-K571 WeakPolarHBondContact O-CG 3.34Å; D567-K571 PolarHBondContact O-N 3.13Å; D567-K571 VanDerWaalsContact O-N 3.12Å; Y568-K571 PolarHBondContact O-N 2.88Å; L569-K571 VanDerWaalsContact C-N 3.31Å; L569-K571 PolarHBondContact O-N 2.85Å; K571-I573 VanDerWaalsContact C-N 3.34Å; K571-I573 PolarHBondContact O-N 2.74Å; K571-V574 PolarHBondContact O-N 2.93Å; K571-Q575 WeakPolarHBondContact O-CB 3.49Å; K571-Q575 VanDerWaalsContact O-CG 3.26Å; K571-Q575 WeakPolarHBondContact O-CG 3.38Å; K571-Q575 PolarHBondContact O-N 3.49Å
572	S	98	Very high	96.6	Very high	2 Å²	2	57.3 Å²	57.3	1%	0.014	29%	0.286	C	S	.	.	H	α-helix	trans	-65.9	-36.4	-179.9	-59.6	0	0	0	0	112.1	Y568 L569 V574 Q575 L576	Y568-S572 WeakPolarHBondContact O-CB 3.34Å; Y568-S572 PolarHBondContact O-N 2.68Å; Y568-S572 PolarHBondContact O-OG 3.43Å; L569-S572 WeakPolarHBondContact O-CB 3.48Å; L569-S572 PolarHBondContact O-N 3.44Å; L569-S572 VanDerWaalsContact O-N 3.08Å; S572-V574 VanDerWaalsContact C-N 3.34Å; S572-V574 PolarHBondContact O-N 3.36Å; S572-Q575 PolarHBondContact O-N 3.08Å; S572-L576 VanDerWaalsContact O-CB 3.27Å; S572-L576 WeakPolarHBondContact O-CB 3.44Å; S572-L576 WeakPolarHBondContact O-CG 3.27Å; S572-L576 PolarHBondContact O-N 3.2Å
573	I	97.8	Very high	96.7	Very high	4 Å²	4	57.8 Å²	57.8	2%	0.021	29%	0.287	C	S	.	.	H	α-helix	trans	-58.3	-46.3	176.1	-77.9	159.9	0	0	0	111	V467 Y551 L569 R570 K571 D577 V578 L585	V467-I573 HydrophobicContact CG2-CD1 3.51Å; Y551-I573 HydrophobicContact CD1-CD1 4.02Å; Y551-I573 HydrophobicContact CD1-CG1 4.26Å; Y551-I573 HydrophobicContact CD1-CG2 4.49Å; Y551-I573 HydrophobicContact CD2-CD1 3.7Å; Y551-I573 HydrophobicContact CD2-CG1 4.49Å; Y551-I573 HydrophobicContact CD2-CG2 4.14Å; Y551-I573 HydrophobicContact CE1-CD1 4.49Å; Y551-I573 HydrophobicContact CE1-CG1 4.38Å; Y551-I573 HydrophobicContact CE1-CG2 3.89Å; Y551-I573 HydrophobicContact CE2-CD1 4.23Å; Y551-I573 HydrophobicContact CE2-CG2 3.53Å; Y551-I573 HydrophobicContact CG-CD1 3.59Å; Y551-I573 HydrophobicContact CG-CG1 4.32Å; L569-I573 WeakPolarHBondContact O-CG1 3.46Å; L569-I573 PolarHBondContact O-N 3Å; R570-I573 PolarHBondContact O-N 3.47Å; K571-I573 VanDerWaalsContact C-N 3.34Å; K571-I573 PolarHBondContact O-N 2.74Å; I573-D577 PolarHBondContact O-N 3.41Å; I573-V578 HydrophobicContact CG1-CG2 4.49Å; I573-V578 HydrophobicContact CG2-CB 4.34Å; I573-V578 PolarHBondContact O-N 3.36Å; I573-L585 HydrophobicContact CG1-CD1 4.27Å
574	V	96.9	Very high	96.8	Very high	100 Å²	100	52.5 Å²	52.5	61%	0.606	27%	0.267	S	S	*	.	H	α-helix	trans	-69.1	-48.8	177.4	179.5	0	0	0	0	111	T465 R570 K571 S572 L576 D577	T465-V574 HydrophobicContact CG2-CG2 3.56Å; R570-V574 PolarHBondContact O-N 3.08Å; K571-V574 PolarHBondContact O-N 2.93Å; S572-V574 VanDerWaalsContact C-N 3.34Å; S572-V574 PolarHBondContact O-N 3.36Å; V574-L576 VanDerWaalsContact C-N 3.28Å; V574-L576 PolarHBondContact O-N 2.9Å; V574-D577 PolarHBondContact O-N 3.31Å
575	Q	96.7	Very high	96.8	Very high	153 Å²	153	50.8 Å²	50.8	72%	0.715	25%	0.249	S	C	*	.	H	α-helix	trans	-62.4	-34	-176.9	-74.6	175.2	-2.4	0	0	113.5	K571 S572	K571-Q575 WeakPolarHBondContact O-CB 3.49Å; K571-Q575 VanDerWaalsContact O-CG 3.26Å; K571-Q575 WeakPolarHBondContact O-CG 3.38Å; K571-Q575 PolarHBondContact O-N 3.49Å; S572-Q575 PolarHBondContact O-N 3.08Å
576	L	96.8	Very high	96.9	Very high	30 Å²	30	50.9 Å²	50.9	16%	0.157	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	4.4	-179.4	-64.8	174.4	0	0	0	113	S572 V574 V578 K583 L585 P662 L712	S572-L576 VanDerWaalsContact O-CB 3.27Å; S572-L576 WeakPolarHBondContact O-CB 3.44Å; S572-L576 WeakPolarHBondContact O-CG 3.27Å; S572-L576 PolarHBondContact O-N 3.2Å; V574-L576 VanDerWaalsContact C-N 3.28Å; V574-L576 PolarHBondContact O-N 2.9Å; L576-V578 VanDerWaalsContact C-N 3.31Å; L576-V578 HydrophobicContact CB-CG2 4.04Å; L576-V578 PolarHBondContact O-N 2.7Å; L576-K583 HydrophobicContact CB-CD 4.3Å; L576-K583 WeakPolarHBondContact O-CD 3.26Å; L576-K583 WeakPolarHBondContact O-CE 3.37Å; L576-K583 PolarHBondContact O-NZ 3.21Å; L576-L585 HydrophobicContact CD1-CD2 3.57Å; L576-P662 HydrophobicContact CD1-CB 4.17Å; L576-P662 HydrophobicContact CD1-CG 4.09Å; L576-P662 HydrophobicContact CD2-CB 4.21Å; L576-P662 HydrophobicContact CD2-CG 4.09Å; L576-L712 HydrophobicContact CD1-CD2 4.02Å
577	D	95.8	Very high	96.9	Very high	71 Å²	71	49.9 Å²	49.9	38%	0.38	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	47.1	-179.8	-172.1	25.8	0	0	0	113	I573 V574 A579 H580 T581	I573-D577 PolarHBondContact O-N 3.41Å; V574-D577 PolarHBondContact O-N 3.31Å; D577-A579 PolarHBondContact O-N 2.7Å; D577-H580 PolarHBondContact O-N 2.69Å; D577-H580 IonicContact OD1-CD2 3.73Å; D577-H580 PolarHBondContact OD1-CD2 3.48Å; D577-H580 IonicContact OD1-CG 3.54Å; D577-T581 WeakPolarHBondContact O-CB 3.38Å; D577-T581 PolarHBondContact O-N 3.39Å; D577-T581 PolarHBondContact O-OG1 3.37Å
578	V	96.2	Very high	96.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.012	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-21.8	-178.2	-172.5	0	0	0	0	111.3	Y551 I573 L576 H580 T581 K583 L585	Y551-V578 HydrophobicContact CD1-CG1 4.31Å; Y551-V578 HydrophobicContact CE1-CB 4.12Å; Y551-V578 HydrophobicContact CE1-CG1 3.77Å; I573-V578 HydrophobicContact CG1-CG2 4.49Å; I573-V578 HydrophobicContact CG2-CB 4.34Å; I573-V578 PolarHBondContact O-N 3.36Å; L576-V578 VanDerWaalsContact C-N 3.31Å; L576-V578 HydrophobicContact CB-CG2 4.04Å; L576-V578 PolarHBondContact O-N 2.7Å; V578-H580 VanDerWaalsContact C-N 3.31Å; V578-H580 PolarHBondContact O-N 2.62Å; V578-T581 VanDerWaalsContact O-O 3.06Å; V578-K583 HydrophobicContact CG1-CB 4.37Å; V578-K583 HydrophobicContact CG2-CB 4.31Å; V578-L585 HydrophobicContact CG2-CD1 4.13Å; V578-L585 HydrophobicContact CG2-CD2 3.96Å; V578-L585 HydrophobicContact CG2-CG 4.24Å
579	A	93	Very high	96.8	Very high	34 Å²	34	44.5 Å²	44.5	28%	0.281	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-40	176.4	0	0	0	0	0	112.2	Y551 D577 R678	Y551-A579 VanDerWaalsContact OH-CA 3.29Å; Y551-A579 WeakPolarHBondContact OH-CA 3.49Å; Y551-A579 WeakPolarHBondContact OH-CB 3.23Å; Y551-A579 PolarHBondContact OH-N 3.25Å; D577-A579 PolarHBondContact O-N 2.7Å; A579-R678 PolarHBondContact O-NH1 2.8Å
580	H	93.1	Very high	96.7	Very high	161 Å²	161	44.6 Å²	44.6	75%	0.745	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108.8	-0.9	-173.8	-57.6	-55.1	0	0	0	114.3	D577 V578	D577-H580 PolarHBondContact O-N 2.69Å; D577-H580 IonicContact OD1-CD2 3.73Å; D577-H580 PolarHBondContact OD1-CD2 3.48Å; D577-H580 IonicContact OD1-CG 3.54Å; V578-H580 VanDerWaalsContact C-N 3.31Å; V578-H580 PolarHBondContact O-N 2.62Å
581	T	95	Very high	96.5	Very high	45 Å²	45	43.1 Å²	43.1	28%	0.276	22%	0.216	S	C	.	.	S	Bend	trans	-128	149.9	-179.4	63.3	0	0	0	0	112.1	D577 V578 K583	D577-T581 WeakPolarHBondContact O-CB 3.38Å; D577-T581 PolarHBondContact O-N 3.39Å; D577-T581 PolarHBondContact O-OG1 3.37Å; V578-T581 VanDerWaalsContact O-O 3.06Å; T581-K583 VanDerWaalsContact C-N 3.3Å; T581-K583 PolarHBondContact O-N 3.46Å; T581-K583 WeakPolarHBondContact OG1-CD 3.49Å; T581-K583 WeakPolarHBondContact OG1-CE 3.24Å; T581-K583 WeakPolarHBondContact OG1-CG 3.43Å; T581-K583 PolarHBondContact OG1-NZ 3.45Å
582	K	95	Very high	96.1	Very high	108 Å²	108	37 Å²	37	47%	0.47	19%	0.19	S	C	.	.			trans	-78.8	79.7	174.7	-66.4	-171.2	-179.5	177	0	110.1	Q705 F707 D708	K582-Q705 VanDerWaalsContact CD-O 3.28Å; K582-Q705 WeakPolarHBondContact CD-O 3.4Å; K582-Q705 PolarHBondContact NZ-O 2.96Å; K582-F707 HydrophobicContact CB-CD1 4.07Å; K582-F707 HydrophobicContact CB-CD2 4.18Å; K582-F707 HydrophobicContact CB-CE1 4.23Å; K582-F707 HydrophobicContact CB-CE2 4.35Å; K582-F707 HydrophobicContact CB-CG 4.05Å; K582-F707 HydrophobicContact CB-CZ 4.37Å; K582-F707 HydrophobicContact CD-CD2 4.26Å; K582-F707 HydrophobicContact CD-CE2 4.15Å; K582-F707 HydrophobicContact CG-CE2 4.36Å; K582-F707 HydrophobicContact CG-CZ 4.42Å; K582-F707 CarbonylContact O-C 3.5Å; K582-F707 WeakPolarHBondContact O-CA 3.37Å; K582-D708 PolarHBondContact O-N 2.71Å
583	K	97.6	Very high	95.5	Very high	35 Å²	35	42.8 Å²	42.8	15%	0.152	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135	177.4	-69.9	-178.7	-178.1	110.3	0	110.8	L576 V578 T581 L585 D708 M710	L576-K583 HydrophobicContact CB-CD 4.3Å; L576-K583 WeakPolarHBondContact O-CD 3.26Å; L576-K583 WeakPolarHBondContact O-CE 3.37Å; L576-K583 PolarHBondContact O-NZ 3.21Å; V578-K583 HydrophobicContact CG1-CB 4.37Å; V578-K583 HydrophobicContact CG2-CB 4.31Å; T581-K583 VanDerWaalsContact C-N 3.3Å; T581-K583 PolarHBondContact O-N 3.46Å; T581-K583 WeakPolarHBondContact OG1-CD 3.49Å; T581-K583 WeakPolarHBondContact OG1-CE 3.24Å; T581-K583 WeakPolarHBondContact OG1-CG 3.43Å; T581-K583 PolarHBondContact OG1-NZ 3.45Å; K583-L585 HydrophobicContact CB-CD2 4.39Å; K583-D708 HydrophobicContact CG-CB 4.15Å; K583-M710 HydrophobicContact CD-CG 4.25Å; K583-M710 HydrophobicContact CG-CG 4.3Å
584	A	98.2	Very high	94.8	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	111.9	168.8	0	0	0	0	0	108.2	V586 V675 V677 F707 D708 L709 M710	A584-V586 PolarHBondContact O-N 2.97Å; A584-V675 HydrophobicContact CB-CB 4.47Å; A584-V675 HydrophobicContact CB-CG1 4.49Å; A584-V677 HydrophobicContact CB-CG1 3.5Å; A584-F707 HydrophobicContact CB-CB 4.43Å; A584-F707 HydrophobicContact CB-CD1 4.22Å; A584-D708 PolarHBondContact N-O 2.96Å; A584-L709 HydrophobicContact CB-CD2 4.03Å; A584-M710 PolarHBondContact O-N 3.12Å
585	L	98.7	Very high	94.1	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.6	-176.7	-47.4	-177.1	0	0	0	109.4	I573 L576 V578 K583 V675 V676 M710 L712	I573-L585 HydrophobicContact CG1-CD1 4.27Å; L576-L585 HydrophobicContact CD1-CD2 3.57Å; V578-L585 HydrophobicContact CG2-CD1 4.13Å; V578-L585 HydrophobicContact CG2-CD2 3.96Å; V578-L585 HydrophobicContact CG2-CG 4.24Å; K583-L585 HydrophobicContact CB-CD2 4.39Å; L585-V675 CarbonylContact O-C 3.57Å; L585-V675 VanDerWaalsContact O-CA 3.29Å; L585-V675 WeakPolarHBondContact O-CA 3.3Å; L585-V676 HydrophobicContact CB-CB 4.17Å; L585-V676 PolarHBondContact N-O 3.34Å; L585-V676 PolarHBondContact O-N 3.15Å; L585-M710 CarbonylContact C-O 3.58Å; L585-M710 WeakPolarHBondContact CA-O 3.49Å; L585-M710 HydrophobicContact CD2-CB 4.07Å; L585-L712 HydrophobicContact CB-CD1 3.96Å; L585-L712 HydrophobicContact CB-CD2 4.33Å; L585-L712 HydrophobicContact CB-CG 4.12Å; L585-L712 HydrophobicContact CD1-CD1 4.39Å; L585-L712 HydrophobicContact CD1-CD2 4.42Å
586	V	98.6	Very high	93.5	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.006	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.6	179.2	174.5	0	0	0	0	109.7	A584 P588 P673 Y674 V675 L709 M710 V711 L712	A584-V586 PolarHBondContact O-N 2.97Å; V586-P588 WeakPolarHBondContact O-CD 3.34Å; V586-P673 HydrophobicContact CB-CB 4.46Å; V586-P673 HydrophobicContact CG1-CB 3.72Å; V586-P673 HydrophobicContact CG2-CB 4.01Å; V586-P673 HydrophobicContact CG2-CG 4.29Å; V586-Y674 WeakPolarHBondContact CA-O 3.19Å; V586-V675 HydrophobicContact CG2-CG1 4Å; V586-L709 HydrophobicContact CG2-CB 4.37Å; V586-L709 HydrophobicContact CG2-CD2 4.46Å; V586-M710 PolarHBondContact N-O 3.18Å; V586-V711 HydrophobicContact CB-CG2 4.06Å; V586-V711 HydrophobicContact CG1-CG2 4.16Å; V586-L712 PolarHBondContact O-N 3.43Å
587	V	98.5	Very high	93	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	111.6	170.7	178	0	0	0	0	108.7	F553 L565 L569 Y674 V676 L712 A715 M717	F553-V587 HydrophobicContact CE2-CB 3.93Å; F553-V587 HydrophobicContact CE2-CG1 4.49Å; F553-V587 HydrophobicContact CE2-CG2 3.72Å; F553-V587 HydrophobicContact CZ-CB 3.92Å; F553-V587 HydrophobicContact CZ-CG1 3.97Å; F553-V587 HydrophobicContact CZ-CG2 3.85Å; L565-V587 HydrophobicContact CD2-CG1 4.34Å; L569-V587 HydrophobicContact CD2-CG2 4.34Å; V587-Y674 PolarHBondContact N-O 2.78Å; V587-V676 HydrophobicContact CG2-CG2 4.26Å; V587-L712 HydrophobicContact CG2-CD1 4.39Å; V587-A715 HydrophobicContact CG1-CB 4.15Å; V587-A715 HydrophobicContact CG2-CB 4.35Å; V587-M717 HydrophobicContact CG1-CB 4.37Å; V587-M717 HydrophobicContact CG1-CG 4.12Å; V587-M717 HydrophobicContact CG1-SD 4.08Å
588	P	97.6	Very high	92.8	Very high	1 Å²	1	58.7 Å²	58.7	1%	0.006	27%	0.273	C	S	.	.			trans	-61.9	139.5	-179.3	-31.2	41.8	0	0	0	113.9	V586 F590 T651 Y653 W656 V711 A715 F716 M717	V586-P588 WeakPolarHBondContact O-CD 3.34Å; P588-F590 HydrophobicContact CB-CE2 3.97Å; P588-F590 HydrophobicContact CB-CZ 4.35Å; P588-T651 HydrophobicContact CB-CG2 4.09Å; P588-T651 HydrophobicContact CG-CG2 3.94Å; P588-Y653 HydrophobicContact CB-CE1 4.04Å; P588-W656 HydrophobicContact CG-CG 4.3Å; P588-V711 HydrophobicContact CG-CG1 3.65Å; P588-A715 WeakPolarHBondContact CD-O 3.49Å; P588-F716 WeakPolarHBondContact O-CA 3.39Å; P588-M717 PolarHBondContact O-N 3.26Å
589	A	96.3	Very high	92.7	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	138.6	-175.5	0	0	0	0	0	112.1	F559 F618 Y653 Y674 M717	F559-A589 HydrophobicContact CE1-CB 3.91Å; A589-F618 HydrophobicContact CB-CB 3.78Å; A589-F618 HydrophobicContact CB-CD1 4Å; A589-F618 HydrophobicContact CB-CG 4.13Å; A589-F618 VanDerWaalsContact O-CB 3.31Å; A589-F618 WeakPolarHBondContact O-CB 3.5Å; A589-F618 PolarHBondContact O-N 3.08Å; A589-F618 VanDerWaalsContact O-N 3.14Å; A589-Y653 WeakPolarHBondContact O-CE1 3.44Å; A589-Y653 PolarHBondContact O-OH 2.89Å; A589-Y674 HydrophobicContact CB-CD2 3.86Å; A589-Y674 HydrophobicContact CB-CE2 4Å; A589-M717 HydrophobicContact CB-CG 4.33Å
590	F	95.5	Very high	92.9	Very high	1 Å²	1	58 Å²	58	0%	0.004	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	166	175.7	-59.2	-88.7	0	0	0	109.3	P588 L606 L610 Y616 T617 Y653 W656 F716 M717 I718 H719	P588-F590 HydrophobicContact CB-CE2 3.97Å; P588-F590 HydrophobicContact CB-CZ 4.35Å; F590-L606 HydrophobicContact CD1-CD2 4.4Å; F590-L606 HydrophobicContact CD2-CD1 4.28Å; F590-L606 HydrophobicContact CD2-CD2 3.88Å; F590-L606 HydrophobicContact CE1-CD2 4.13Å; F590-L606 HydrophobicContact CE2-CD2 3.59Å; F590-L606 HydrophobicContact CG-CD1 4.27Å; F590-L606 HydrophobicContact CG-CD2 4.28Å; F590-L606 HydrophobicContact CZ-CD2 3.72Å; F590-L610 HydrophobicContact CD1-CD1 3.99Å; F590-L610 HydrophobicContact CD1-CD2 3.9Å; F590-L610 HydrophobicContact CD1-CG 4.46Å; F590-L610 HydrophobicContact CE1-CD1 3.65Å; F590-L610 HydrophobicContact CE1-CD2 4.28Å; F590-Y616 CarbonylContact C-O 3.49Å; F590-Y616 VanDerWaalsContact CA-O 3.26Å; F590-Y616 WeakPolarHBondContact CA-O 3.39Å; F590-Y616 WeakPolarHBondContact CB-O 3.36Å; F590-T617 HydrophobicContact CD1-CG2 4.33Å; F590-T617 HydrophobicContact CE1-CG2 4.11Å; F590-Y653 AromaticContact CE1-CD1 3.85Å; F590-Y653 HydrophobicContact CE1-CD1 3.85Å; F590-Y653 AromaticContact CE1-CE1 3.95Å; F590-Y653 HydrophobicContact CE1-CE1 3.95Å; F590-Y653 HydrophobicContact CE2-CE1 4.43Å; F590-Y653 AromaticContact CZ-CD1 3.89Å; F590-Y653 HydrophobicContact CZ-CD1 3.89Å; F590-Y653 AromaticContact CZ-CE1 3.88Å; F590-Y653 HydrophobicContact CZ-CE1 3.88Å; F590-W656 HydrophobicContact CE1-CZ3 4.33Å; F590-W656 HydrophobicContact CE2-CH2 4.05Å; F590-W656 HydrophobicContact CE2-CZ2 4.4Å; F590-W656 HydrophobicContact CE2-CZ3 4.2Å; F590-W656 HydrophobicContact CZ-CD2 4.38Å; F590-W656 AromaticContact CZ-CE3 3.8Å; F590-W656 HydrophobicContact CZ-CE3 3.8Å; F590-W656 AromaticContact CZ-CH2 3.83Å; F590-W656 HydrophobicContact CZ-CH2 3.83Å; F590-W656 HydrophobicContact CZ-CZ2 4.4Å; F590-W656 AromaticContact CZ-CZ3 3.51Å; F590-W656 HydrophobicContact CZ-CZ3 3.51Å; F590-F716 HydrophobicContact CD2-CB 3.85Å; F590-F716 HydrophobicContact CE2-CB 3.61Å; F590-M717 PolarHBondContact N-O 3.23Å; F590-I718 HydrophobicContact CB-CG1 4.44Å; F590-I718 CarbonylContact O-C 3.54Å; F590-I718 WeakPolarHBondContact O-CA 3.28Å; F590-H719 WeakPolarHBondContact O-CB 3.22Å; F590-H719 PolarHBondContact O-N 3.12Å
591	E	93.3	Very high	92.8	Very high	25 Å²	25	58.4 Å²	58.4	12%	0.117	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	152.6	176.7	63.9	-168.3	161.4	0	0	112.5	L615 Y616 F618 R619 H719	E591-L615 WeakPolarHBondContact O-CA 3.36Å; E591-L615 WeakPolarHBondContact O-CD2 3.25Å; E591-Y616 PolarHBondContact N-O 2.98Å; E591-Y616 PolarHBondContact O-N 2.81Å; E591-F618 HydrophobicContact CB-CD2 4Å; E591-F618 HydrophobicContact CG-CD2 4.45Å; E591-F618 WeakPolarHBondContact OE2-CD2 3.4Å; E591-R619 VanDerWaalsContact CD-N 3.29Å; E591-R619 WeakPolarHBondContact OE1-CA 3.36Å; E591-R619 PolarHBondContact OE1-N 2.82Å; E591-R619 PolarHBondContact OE2-N 3.49Å; E591-H719 HydrophobicContact CB-CB 4Å
592	T	89.3	Confident	92.8	Very high	3 Å²	3	58.8 Å²	58.8	2%	0.018	27%	0.268	C	S	.	.			trans	-116.5	148.1	167.1	-178.1	0	0	0	0	109	R594 L597 I718 H719 M720 P721	T592-R594 WeakPolarHBondContact CG2-O 3.16Å; T592-R594 PolarHBondContact OG1-N 2.85Å; T592-L597 HydrophobicContact CG2-CD2 4.13Å; T592-I718 HydrophobicContact CG2-CG2 4.39Å; T592-H719 PolarHBondContact N-O 3.03Å; T592-M720 HydrophobicContact CG2-CE 4.22Å; T592-M720 HydrophobicContact CG2-SD 4.01Å; T592-P721 HydrophobicContact CG2-CG 4.23Å; T592-P721 WeakPolarHBondContact O-CD 3.26Å; T592-P721 VanDerWaalsContact O-CG 3.23Å; T592-P721 WeakPolarHBondContact O-CG 3.04Å
593	L	85.1	Confident	92.9	Very high	124 Å²	124	55 Å²	55	65%	0.649	25%	0.252	S	S	*	.	S	Bend	trans	-93.5	-1.8	168.1	-58.6	178.7	0	0	0	111.8	Y616	L593-Y616 HydrophobicContact CD1-CE2 4.13Å; L593-Y616 HydrophobicContact CG-CD2 4.44Å; L593-Y616 HydrophobicContact CG-CE2 4.2Å
594	R	84.5	Confident	92.8	Very high	143 Å²	143	56.8 Å²	56.8	54%	0.54	27%	0.272	S	S	.	.			trans	-100.2	128.4	-176	-56.8	-179.3	-178.4	-175.6	1	110.5	T592 R596	T592-R594 WeakPolarHBondContact CG2-O 3.16Å; T592-R594 PolarHBondContact OG1-N 2.85Å; R594-R596 WeakPolarHBondContact CB-O 3.47Å; R594-R596 PolarHBondContact O-N 3.28Å
595	Y	81.4	Confident	92.8	Very high	185 Å²	185	59.8 Å²	59.8	73%	0.725	29%	0.287	S	S	*	.	S	Bend	trans	-64.1	-23.2	174.2	-69.3	-75.3	0	0	0	113.8	P721	Y595-P721 HydrophobicContact CD1-CB 3.97Å; Y595-P721 HydrophobicContact CE1-CB 3.79Å
596	R	83.1	Confident	92.7	Very high	232 Å²	232	59.8 Å²	59.8	88%	0.875	29%	0.287	S	S	*	.	S	Bend	trans	-115.5	122.9	173.8	-65.3	-176.3	-178.1	176.8	0.6	108.8	R594	R594-R596 WeakPolarHBondContact CB-O 3.47Å; R594-R596 PolarHBondContact O-N 3.28Å
597	L	86.9	Confident	92.6	Very high	37 Å²	37	61.4 Å²	61.4	19%	0.194	30%	0.295	C	S	.	.			trans	-129.8	130.2	-179.9	-175.1	68.2	0	0	0	108.8	T592 F599 M609 L615 I718 M720	T592-L597 HydrophobicContact CG2-CD2 4.13Å; L597-F599 HydrophobicContact CD2-CD2 4.35Å; L597-F599 PolarHBondContact O-N 2.98Å; L597-M609 HydrophobicContact CD1-CE 3.42Å; L597-M609 VanDerWaalsContact CD1-CE 3.42Å; L597-M609 HydrophobicContact CG-CE 4.24Å; L597-L615 HydrophobicContact CD1-CD2 3.99Å; L597-L615 HydrophobicContact CD2-CD2 4.04Å; L597-I718 HydrophobicContact CD2-CD1 3.93Å; L597-I718 HydrophobicContact CD2-CG2 3.95Å; L597-M720 HydrophobicContact CB-CE 4.37Å; L597-M720 HydrophobicContact CD2-SD 4.48Å
598	S	91.7	Very high	92.5	Very high	94 Å²	94	64 Å²	64	66%	0.657	31%	0.313	S	S	*	.			trans	-73.1	106	159	-176.6	0	0	0	0	106.6	M609	S598-M609 WeakPolarHBondContact O-CE 3.43Å
599	F	95.1	Very high	92.3	Very high	23 Å²	23	64.8 Å²	64.8	10%	0.101	32%	0.317	C	S	.	.			trans	-69.1	127.3	-171.8	-161.6	-80	0	0	0	110.5	H487 L560 M562 Y563 L597 K601 F716 I718	H487-F599 AromaticContact CE1-CD1 3.69Å; H487-F599 AromaticContact CE1-CD2 3.49Å; H487-F599 VanDerWaalsContact CE1-CD2 3.49Å; H487-F599 WeakPolarHBondContact CE1-CD2 3.28Å; H487-F599 AromaticContact CE1-CE1 3.95Å; H487-F599 AromaticContact CE1-CE2 3.72Å; H487-F599 AromaticContact CE1-CG 3.47Å; H487-F599 VanDerWaalsContact CE1-CG 3.47Å; H487-F599 WeakPolarHBondContact CE1-CG 3.35Å; H487-F599 AromaticContact CE1-CZ 3.95Å; H487-F599 AromaticContact ND1-CZ 3.95Å; L560-F599 HydrophobicContact CB-CD2 4.38Å; L560-F599 HydrophobicContact CB-CE2 3.57Å; L560-F599 HydrophobicContact CB-CZ 4.2Å; L560-F599 HydrophobicContact CD1-CD2 4.38Å; L560-F599 HydrophobicContact CD1-CE2 4.33Å; L560-F599 WeakPolarHBondContact O-CZ 3.29Å; M562-F599 HydrophobicContact CB-CE1 4.48Å; Y563-F599 HydrophobicContact CD2-CD1 4.2Å; Y563-F599 HydrophobicContact CE2-CB 4.4Å; Y563-F599 AromaticContact CE2-CD1 3.98Å; Y563-F599 HydrophobicContact CE2-CD1 3.98Å; Y563-F599 HydrophobicContact CE2-CG 4.41Å; L597-F599 HydrophobicContact CD2-CD2 4.35Å; L597-F599 PolarHBondContact O-N 2.98Å; F599-K601 PolarHBondContact O-N 3.27Å; F599-F716 AromaticContact CE1-CE2 3.94Å; F599-F716 HydrophobicContact CE1-CE2 3.94Å; F599-F716 HydrophobicContact CZ-CE2 4.33Å; F599-I718 HydrophobicContact CD2-CD1 4.22Å; F599-I718 HydrophobicContact CE1-CD1 4.3Å; F599-I718 HydrophobicContact CE2-CB 3.89Å; F599-I718 HydrophobicContact CE2-CD1 3.75Å; F599-I718 HydrophobicContact CE2-CG1 3.96Å; F599-I718 HydrophobicContact CZ-CB 4.25Å; F599-I718 HydrophobicContact CZ-CD1 3.8Å; F599-I718 HydrophobicContact CZ-CG1 3.91Å
600	P	96.1	Very high	92	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	32%	0.322	C	S	.	.			trans	-66.4	133.6	-177	23.1	-29.3	0	0	0	111.2	E605 L606 M609 L615 F716 I718	P600-E605 HydrophobicContact CB-CB 4.05Å; P600-E605 HydrophobicContact CB-CG 3.99Å; P600-L606 HydrophobicContact CB-CB 4.12Å; P600-L606 HydrophobicContact CG-CB 4.2Å; P600-L606 HydrophobicContact CG-CD1 3.7Å; P600-M609 HydrophobicContact CB-SD 3.76Å; P600-M609 HydrophobicContact CG-SD 3.93Å; P600-L615 HydrophobicContact CG-CD1 4.23Å; P600-F716 HydrophobicContact CB-CZ 4.36Å; P600-F716 HydrophobicContact CG-CE2 3.83Å; P600-F716 HydrophobicContact CG-CZ 4.12Å; P600-I718 VanDerWaalsContact CD-CD1 3.49Å; P600-I718 HydrophobicContact CG-CD1 3.57Å
601	K	92.1	Very high	91.9	Very high	168 Å²	168	71.5 Å²	71.5	73%	0.73	35%	0.353	S	S	*	.	S	Bend	trans	-87.6	-13.9	-178.6	-61.9	-178.6	-179.1	179.3	0	113.1	F599 E605	F599-K601 PolarHBondContact O-N 3.27Å; K601-E605 PolarHBondContact N-OE2 3.34Å
602	S	94.9	Very high	91.7	Very high	53 Å²	53	76 Å²	76	37%	0.371	38%	0.375	S	S	.	.	S	Bend	trans	-149.3	163.1	-177.5	69.4	0	0	0	0	112	A604 E605 L606	S602-A604 VanDerWaalsContact C-N 3.25Å; S602-A604 PolarHBondContact O-N 3.43Å; S602-E605 PolarHBondContact O-N 3.1Å; S602-E605 PolarHBondContact OG-N 3.04Å; S602-L606 PolarHBondContact O-N 2.65Å
603	K	96.1	Very high	91.6	Very high	30 Å²	30	77.3 Å²	77.3	13%	0.13	39%	0.389	C	S	.	.	H	α-helix	trans	-54.9	-40.8	170.7	179	174.7	-176.3	171.3	0	112	E605 L606 L607 W656 R657 A659 P713	K603-E605 PolarHBondContact O-N 3.26Å; K603-L606 WeakPolarHBondContact O-CB 3.05Å; K603-L606 PolarHBondContact O-N 3.05Å; K603-L607 HydrophobicContact CG-CD1 4.07Å; K603-L607 HydrophobicContact CG-CG 4.28Å; K603-L607 WeakPolarHBondContact O-CB 3.32Å; K603-L607 VanDerWaalsContact O-CG 3.22Å; K603-L607 WeakPolarHBondContact O-CG 2.89Å; K603-L607 PolarHBondContact O-N 3.47Å; K603-W656 HydrophobicContact CD-CH2 4.12Å; K603-W656 HydrophobicContact CD-CZ2 4.24Å; K603-W656 WeakPolarHBondContact CE-O 3.29Å; K603-W656 HydrophobicContact CG-CH2 3.8Å; K603-W656 HydrophobicContact CG-CZ2 4.35Å; K603-W656 HydrophobicContact CG-CZ3 4.28Å; K603-W656 PolarHBondContact NZ-O 3.22Å; K603-R657 WeakPolarHBondContact CE-O 3.32Å; K603-A659 PolarHBondContact NZ-O 3.38Å; K603-P713 WeakPolarHBondContact CD-O 3.48Å; K603-P713 WeakPolarHBondContact CE-O 3.46Å; K603-P713 PolarHBondContact NZ-O 3.39Å
604	A	96.4	Very high	91.7	Very high	71 Å²	71	72.3 Å²	72.3	59%	0.587	36%	0.364	S	S	*	.	H	α-helix	trans	-62.7	-42	179.8	0	0	0	0	0	112.3	S602 L607 S608	S602-A604 VanDerWaalsContact C-N 3.25Å; S602-A604 PolarHBondContact O-N 3.43Å; A604-L607 PolarHBondContact O-N 3.17Å; A604-S608 PolarHBondContact O-N 2.94Å
605	E	96.8	Very high	91.9	Very high	64 Å²	64	65.6 Å²	65.6	30%	0.299	34%	0.339	S	S	.	.	H	α-helix	trans	-67.3	-42.9	175.8	-169.3	179.7	176.2	0	0	111.5	P600 K601 S602 K603 L607 S608 M609	P600-E605 HydrophobicContact CB-CB 4.05Å; P600-E605 HydrophobicContact CB-CG 3.99Å; K601-E605 PolarHBondContact N-OE2 3.34Å; S602-E605 PolarHBondContact O-N 3.1Å; S602-E605 PolarHBondContact OG-N 3.04Å; K603-E605 PolarHBondContact O-N 3.26Å; E605-L607 VanDerWaalsContact C-N 3.32Å; E605-L607 PolarHBondContact O-N 3.32Å; E605-S608 WeakPolarHBondContact O-CB 3.33Å; E605-S608 PolarHBondContact O-N 3.05Å; E605-M609 HydrophobicContact CG-SD 4.45Å; E605-M609 VanDerWaalsContact O-CG 3.29Å; E605-M609 WeakPolarHBondContact O-CG 3.38Å; E605-M609 PolarHBondContact O-N 2.9Å
606	L	96.8	Very high	92.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-57.2	-44.6	173.6	-176.7	89.2	0	0	0	111.7	F590 P600 S602 K603 M609 L610 L615 W656 F716 I718	F590-L606 HydrophobicContact CD1-CD2 4.4Å; F590-L606 HydrophobicContact CD2-CD1 4.28Å; F590-L606 HydrophobicContact CD2-CD2 3.88Å; F590-L606 HydrophobicContact CE1-CD2 4.13Å; F590-L606 HydrophobicContact CE2-CD2 3.59Å; F590-L606 HydrophobicContact CG-CD1 4.27Å; F590-L606 HydrophobicContact CG-CD2 4.28Å; F590-L606 HydrophobicContact CZ-CD2 3.72Å; P600-L606 HydrophobicContact CB-CB 4.12Å; P600-L606 HydrophobicContact CG-CB 4.2Å; P600-L606 HydrophobicContact CG-CD1 3.7Å; S602-L606 PolarHBondContact O-N 2.65Å; K603-L606 WeakPolarHBondContact O-CB 3.05Å; K603-L606 PolarHBondContact O-N 3.05Å; L606-M609 WeakPolarHBondContact O-CB 3.49Å; L606-M609 PolarHBondContact O-N 2.85Å; L606-L610 HydrophobicContact CD2-CD1 4.44Å; L606-L610 HydrophobicContact CG-CD1 4.3Å; L606-L610 WeakPolarHBondContact O-CG 3.17Å; L606-L610 PolarHBondContact O-N 3.41Å; L606-L615 HydrophobicContact CD1-CD1 3.48Å; L606-L615 VanDerWaalsContact CD1-CD1 3.48Å; L606-L615 HydrophobicContact CG-CD1 4.41Å; L606-W656 HydrophobicContact CD2-CH2 3.42Å; L606-W656 VanDerWaalsContact CD2-CH2 3.42Å; L606-W656 HydrophobicContact CD2-CZ3 3.75Å; L606-F716 HydrophobicContact CB-CZ 4.48Å; L606-F716 HydrophobicContact CD1-CD2 3.82Å; L606-F716 HydrophobicContact CD1-CE2 3.93Å; L606-F716 HydrophobicContact CD1-CG 4.36Å; L606-F716 HydrophobicContact CD2-CB 4.12Å; L606-F716 HydrophobicContact CD2-CD1 4.11Å; L606-F716 HydrophobicContact CD2-CD2 4.18Å; L606-F716 HydrophobicContact CD2-CG 3.87Å; L606-I718 HydrophobicContact CD1-CD1 4.04Å; L606-I718 HydrophobicContact CD1-CG1 4.45Å
607	L	96.5	Very high	92.7	Very high	34 Å²	34	50.6 Å²	50.6	18%	0.178	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-45.3	177.5	-70.4	174.4	0	0	0	111.7	K603 A604 E605 M609 L610 D611 W656 R657	K603-L607 HydrophobicContact CG-CD1 4.07Å; K603-L607 HydrophobicContact CG-CG 4.28Å; K603-L607 WeakPolarHBondContact O-CB 3.32Å; K603-L607 VanDerWaalsContact O-CG 3.22Å; K603-L607 WeakPolarHBondContact O-CG 2.89Å; K603-L607 PolarHBondContact O-N 3.47Å; A604-L607 PolarHBondContact O-N 3.17Å; E605-L607 VanDerWaalsContact C-N 3.32Å; E605-L607 PolarHBondContact O-N 3.32Å; L607-M609 VanDerWaalsContact C-N 3.28Å; L607-M609 PolarHBondContact O-N 3.3Å; L607-L610 HydrophobicContact CD2-CD1 4.29Å; L607-L610 WeakPolarHBondContact O-CB 3.46Å; L607-L610 PolarHBondContact O-N 3.06Å; L607-L610 VanDerWaalsContact O-N 3.13Å; L607-D611 VanDerWaalsContact O-CG 3.29Å; L607-D611 PolarHBondContact O-N 3.17Å; L607-W656 HydrophobicContact CD2-CZ3 4.16Å; L607-R657 HydrophobicContact CD2-CB 4.02Å; L607-R657 HydrophobicContact CD2-CG 3.58Å
608	S	96.1	Very high	92.7	Very high	56 Å²	56	49.4 Å²	49.4	39%	0.392	28%	0.277	S	S	.	.	H	α-helix	trans	-57.1	-42.9	173.1	178.4	0	0	0	0	111.5	A604 E605 L610 D611 M612	A604-S608 PolarHBondContact O-N 2.94Å; E605-S608 WeakPolarHBondContact O-CB 3.33Å; E605-S608 PolarHBondContact O-N 3.05Å; S608-L610 VanDerWaalsContact C-N 3.34Å; S608-L610 PolarHBondContact O-N 2.89Å; S608-D611 PolarHBondContact O-N 2.94Å; S608-M612 WeakPolarHBondContact O-CB 3.39Å; S608-M612 VanDerWaalsContact O-CG 3.31Å; S608-M612 WeakPolarHBondContact O-CG 3.39Å; S608-M612 PolarHBondContact O-N 2.77Å
609	M	94.3	Very high	91.9	Very high	17 Å²	17	47.4 Å²	47.4	8%	0.084	26%	0.255	C	S	.	.	H	α-helix	trans	-65.8	-33.4	177.2	-71.1	177.5	83.2	0	0	113.6	L597 S598 P600 E605 L606 L607 M612 G613 T614 L615	L597-M609 HydrophobicContact CD1-CE 3.42Å; L597-M609 VanDerWaalsContact CD1-CE 3.42Å; L597-M609 HydrophobicContact CG-CE 4.24Å; S598-M609 WeakPolarHBondContact O-CE 3.43Å; P600-M609 HydrophobicContact CB-SD 3.76Å; P600-M609 HydrophobicContact CG-SD 3.93Å; E605-M609 HydrophobicContact CG-SD 4.45Å; E605-M609 VanDerWaalsContact O-CG 3.29Å; E605-M609 WeakPolarHBondContact O-CG 3.38Å; E605-M609 PolarHBondContact O-N 2.9Å; L606-M609 WeakPolarHBondContact O-CB 3.49Å; L606-M609 PolarHBondContact O-N 2.85Å; L607-M609 VanDerWaalsContact C-N 3.28Å; L607-M609 PolarHBondContact O-N 3.3Å; M609-M612 HydrophobicContact CG-CE 4.21Å; M609-G613 PolarHBondContact O-N 2.53Å; M609-T614 VanDerWaalsContact CA-OG1 3.32Å; M609-T614 WeakPolarHBondContact CA-OG1 3.48Å; M609-T614 VanDerWaalsContact CB-OG1 3.27Å; M609-T614 WeakPolarHBondContact CB-OG1 3.41Å; M609-T614 PolarHBondContact O-N 3.04Å; M609-T614 PolarHBondContact O-OG1 2.88Å; M609-L615 HydrophobicContact CB-CB 4.34Å; M609-L615 HydrophobicContact CB-CD1 3.78Å; M609-L615 HydrophobicContact CB-CG 4Å; M609-L615 HydrophobicContact CE-CD1 3.96Å; M609-L615 HydrophobicContact CE-CG 4.05Å; M609-L615 PolarHBondContact O-N 2.83Å; M609-L615 HydrophobicContact SD-CD1 3.95Å
610	L	91	Very high	90.5	Very high	21 Å²	21	51.6 Å²	51.6	11%	0.11	27%	0.271	C	S	.	.	H	α-helix	trans	-68.9	-44.1	172.2	-70.8	163.2	0	0	0	111	F590 L606 L607 S608 M612 G613 L615 R657	F590-L610 HydrophobicContact CD1-CD1 3.99Å; F590-L610 HydrophobicContact CD1-CD2 3.9Å; F590-L610 HydrophobicContact CD1-CG 4.46Å; F590-L610 HydrophobicContact CE1-CD1 3.65Å; F590-L610 HydrophobicContact CE1-CD2 4.28Å; L606-L610 HydrophobicContact CD2-CD1 4.44Å; L606-L610 HydrophobicContact CG-CD1 4.3Å; L606-L610 WeakPolarHBondContact O-CG 3.17Å; L606-L610 PolarHBondContact O-N 3.41Å; L607-L610 HydrophobicContact CD2-CD1 4.29Å; L607-L610 WeakPolarHBondContact O-CB 3.46Å; L607-L610 PolarHBondContact O-N 3.06Å; L607-L610 VanDerWaalsContact O-N 3.13Å; S608-L610 VanDerWaalsContact C-N 3.34Å; S608-L610 PolarHBondContact O-N 2.89Å; L610-M612 VanDerWaalsContact C-N 3.29Å; L610-M612 PolarHBondContact O-N 2.49Å; L610-G613 PolarHBondContact O-N 2.77Å; L610-G613 VanDerWaalsContact O-N 3.07Å; L610-L615 HydrophobicContact CD2-CB 3.99Å; L610-L615 HydrophobicContact CG-CB 4.32Å; L610-R657 VanDerWaalsContact CB-NH2 3.3Å
611	D	92.1	Very high	88.5	Confident	122 Å²	122	55.7 Å²	55.7	65%	0.652	29%	0.29	S	S	*	.	H	α-helix	trans	-64.2	-35.2	178.1	-65.2	-26.6	0	0	0	111.6	L607 S608 G613 R657	L607-D611 VanDerWaalsContact O-CG 3.29Å; L607-D611 PolarHBondContact O-N 3.17Å; S608-D611 PolarHBondContact O-N 2.94Å; D611-G613 VanDerWaalsContact C-N 3.26Å; D611-G613 PolarHBondContact O-N 2.96Å; D611-R657 IonicContact OD1-CZ 3.12Å; D611-R657 IonicContact OD1-NH2 3.14Å; D611-R657 PolarHBondContact OD1-NH2 3.28Å
612	M	89.6	Confident	86.2	Confident	120 Å²	120	51.2 Å²	51.2	59%	0.591	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-4.3	174.1	-68.8	-173.2	-67.1	0	0	114.2	S608 M609 L610 T614	S608-M612 WeakPolarHBondContact O-CB 3.39Å; S608-M612 VanDerWaalsContact O-CG 3.31Å; S608-M612 WeakPolarHBondContact O-CG 3.39Å; S608-M612 PolarHBondContact O-N 2.77Å; M609-M612 HydrophobicContact CG-CE 4.21Å; L610-M612 VanDerWaalsContact C-N 3.29Å; L610-M612 PolarHBondContact O-N 2.49Å; M612-T614 VanDerWaalsContact C-N 3.26Å; M612-T614 HydrophobicContact CB-CG2 4.09Å; M612-T614 PolarHBondContact O-N 2.74Å
613	G	86.2	Confident	83.7	Confident	29 Å²	29	56.8 Å²	56.8	30%	0.299	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.4	24.5	-177.1	0	0	0	0	0	114.3	M609 L610 D611 Y616	M609-G613 PolarHBondContact O-N 2.53Å; L610-G613 PolarHBondContact O-N 2.77Å; L610-G613 VanDerWaalsContact O-N 3.07Å; D611-G613 VanDerWaalsContact C-N 3.26Å; D611-G613 PolarHBondContact O-N 2.96Å; G613-Y616 PolarHBondContact O-OH 2.73Å
614	T	87.3	Confident	81	Confident	20 Å²	20	62 Å²	62	12%	0.123	32%	0.323	C	S	.	.	S	Bend	trans	-91	-24.5	176	62.3	0	0	0	0	112.7	M609 M612	M609-T614 VanDerWaalsContact CA-OG1 3.32Å; M609-T614 WeakPolarHBondContact CA-OG1 3.48Å; M609-T614 VanDerWaalsContact CB-OG1 3.27Å; M609-T614 WeakPolarHBondContact CB-OG1 3.41Å; M609-T614 PolarHBondContact O-N 3.04Å; M609-T614 PolarHBondContact O-OG1 2.88Å; M612-T614 VanDerWaalsContact C-N 3.26Å; M612-T614 HydrophobicContact CB-CG2 4.09Å; M612-T614 PolarHBondContact O-N 2.74Å
615	L	90.3	Very high	78.3	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	33%	0.327	C	S	.	.	S	Bend	trans	-122.1	159.5	169.3	-70.2	178.1	0	0	0	109.7	E591 L597 P600 L606 M609 L610 I718	E591-L615 WeakPolarHBondContact O-CA 3.36Å; E591-L615 WeakPolarHBondContact O-CD2 3.25Å; L597-L615 HydrophobicContact CD1-CD2 3.99Å; L597-L615 HydrophobicContact CD2-CD2 4.04Å; P600-L615 HydrophobicContact CG-CD1 4.23Å; L606-L615 HydrophobicContact CD1-CD1 3.48Å; L606-L615 VanDerWaalsContact CD1-CD1 3.48Å; L606-L615 HydrophobicContact CG-CD1 4.41Å; M609-L615 HydrophobicContact CB-CB 4.34Å; M609-L615 HydrophobicContact CB-CD1 3.78Å; M609-L615 HydrophobicContact CB-CG 4Å; M609-L615 HydrophobicContact CE-CD1 3.96Å; M609-L615 HydrophobicContact CE-CG 4.05Å; M609-L615 PolarHBondContact O-N 2.83Å; M609-L615 HydrophobicContact SD-CD1 3.95Å; L610-L615 HydrophobicContact CD2-CB 3.99Å; L610-L615 HydrophobicContact CG-CB 4.32Å; L615-I718 HydrophobicContact CD1-CD1 3.92Å; L615-I718 HydrophobicContact CD2-CD1 4.4Å; L615-I718 HydrophobicContact CD2-CG2 4.17Å
616	Y	90.5	Very high	75.3	Confident	81 Å²	81	66.7 Å²	66.7	32%	0.318	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	153.1	177	-54.8	-89.1	0	0	0	109.2	F590 E591 L593 G613	F590-Y616 CarbonylContact C-O 3.49Å; F590-Y616 VanDerWaalsContact CA-O 3.26Å; F590-Y616 WeakPolarHBondContact CA-O 3.39Å; F590-Y616 WeakPolarHBondContact CB-O 3.36Å; E591-Y616 PolarHBondContact N-O 2.98Å; E591-Y616 PolarHBondContact O-N 2.81Å; L593-Y616 HydrophobicContact CD1-CE2 4.13Å; L593-Y616 HydrophobicContact CG-CD2 4.44Å; L593-Y616 HydrophobicContact CG-CE2 4.2Å; G613-Y616 PolarHBondContact O-OH 2.73Å
617	T	90.1	Very high	72.5	Confident	20 Å²	20	72.6 Å²	72.6	12%	0.123	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	135.4	163.2	48.2	0	0	0	0	108.2	F590 R619 Y620 Y653	F590-T617 HydrophobicContact CD1-CG2 4.33Å; F590-T617 HydrophobicContact CE1-CG2 4.11Å; T617-R619 PolarHBondContact O-N 2.76Å; T617-Y620 VanDerWaalsContact O-CB 3.26Å; T617-Y620 WeakPolarHBondContact O-CB 3.2Å; T617-Y620 PolarHBondContact O-N 3.29Å; T617-Y620 WeakPolarHBondContact OG1-CB 3.32Å; T617-Y653 HydrophobicContact CG2-CD1 3.61Å; T617-Y653 HydrophobicContact CG2-CD2 3.88Å; T617-Y653 HydrophobicContact CG2-CE1 4.14Å; T617-Y653 HydrophobicContact CG2-CE2 4.39Å; T617-Y653 HydrophobicContact CG2-CG 3.46Å; T617-Y653 VanDerWaalsContact CG2-CG 3.46Å
618	F	86.9	Confident	69.6	Low	12 Å²	12	79.4 Å²	79.4	5%	0.053	41%	0.408	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	133	-169.1	178.5	-124.8	0	0	0	112.9	F559 A589 E591 Y620 H648 Y674 H719	F559-F618 HydrophobicContact CE1-CD1 4.43Å; F559-F618 HydrophobicContact CE1-CD2 4.44Å; F559-F618 HydrophobicContact CE1-CE1 4.43Å; F559-F618 HydrophobicContact CE1-CE2 4.39Å; F559-F618 HydrophobicContact CE1-CG 4.45Å; F559-F618 HydrophobicContact CE1-CZ 4.4Å; F559-F618 HydrophobicContact CE2-CZ 4.36Å; F559-F618 HydrophobicContact CZ-CD1 4.2Å; F559-F618 HydrophobicContact CZ-CD2 4.26Å; F559-F618 AromaticContact CZ-CE1 3.76Å; F559-F618 HydrophobicContact CZ-CE1 3.76Å; F559-F618 AromaticContact CZ-CE2 3.78Å; F559-F618 HydrophobicContact CZ-CE2 3.78Å; F559-F618 HydrophobicContact CZ-CG 4.45Å; F559-F618 AromaticContact CZ-CZ 3.52Å; F559-F618 HydrophobicContact CZ-CZ 3.52Å; A589-F618 HydrophobicContact CB-CB 3.78Å; A589-F618 HydrophobicContact CB-CD1 4Å; A589-F618 HydrophobicContact CB-CG 4.13Å; A589-F618 VanDerWaalsContact O-CB 3.31Å; A589-F618 WeakPolarHBondContact O-CB 3.5Å; A589-F618 PolarHBondContact O-N 3.08Å; A589-F618 VanDerWaalsContact O-N 3.14Å; E591-F618 HydrophobicContact CB-CD2 4Å; E591-F618 HydrophobicContact CG-CD2 4.45Å; E591-F618 WeakPolarHBondContact OE2-CD2 3.4Å; F618-Y620 PolarHBondContact O-N 3.14Å; F618-H648 AromaticContact CD1-CD2 3.53Å; F618-H648 AromaticContact CD1-CE1 3.59Å; F618-H648 AromaticContact CD1-NE2 3.12Å; F618-H648 WeakPolarHBondContact CD1-NE2 3.47Å; F618-H648 AromaticContact CE1-CE1 3.93Å; F618-H648 AromaticContact CE1-NE2 3.27Å; F618-H648 VanDerWaalsContact CE1-NE2 3.27Å; F618-H648 WeakPolarHBondContact CE1-NE2 3.46Å; F618-Y674 HydrophobicContact CD1-CE2 4.45Å; F618-Y674 HydrophobicContact CE1-CE2 4.22Å; F618-H719 HydrophobicContact CD2-CB 3.88Å; F618-H719 HydrophobicContact CE2-CB 3.83Å; F618-H719 AromaticContact CE2-CG 3.62Å; F618-H719 AromaticContact CE2-ND1 3.9Å
619	R	75.9	Confident	66.7	Low	52 Å²	52	85.3 Å²	85.3	20%	0.196	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	60	19.7	179.6	-57.7	-66.9	-177.4	168.8	0.8	114.5	E591 T617 H642 W644	E591-R619 VanDerWaalsContact CD-N 3.29Å; E591-R619 WeakPolarHBondContact OE1-CA 3.36Å; E591-R619 PolarHBondContact OE1-N 2.82Å; E591-R619 PolarHBondContact OE2-N 3.49Å; T617-R619 PolarHBondContact O-N 2.76Å; R619-H642 WeakPolarHBondContact CD-O 3.49Å; R619-H642 PolarHBondContact NH1-ND1 3.03Å; R619-H642 PolarHBondContact NH1-O 2.85Å; R619-H642 VanDerWaalsContact NH1-O 3.1Å; R619-W644 HydrophobicContact CB-CB 4.18Å; R619-W644 CarbonylContact O-C 3.59Å; R619-W644 PolarHBondContact O-N 3.13Å
620	Y	64.6	Low	63.8	Low	111 Å²	111	89.5 Å²	89.5	44%	0.435	46%	0.461	S	S	.	.			trans	-102.6	123.8	179.1	-171.1	-96.6	0	0	0	110.7	T617 F618 P645	T617-Y620 VanDerWaalsContact O-CB 3.26Å; T617-Y620 WeakPolarHBondContact O-CB 3.2Å; T617-Y620 PolarHBondContact O-N 3.29Å; T617-Y620 WeakPolarHBondContact OG1-CB 3.32Å; F618-Y620 PolarHBondContact O-N 3.14Å; Y620-P645 HydrophobicContact CD2-CB 4.42Å
621	Q	54.4	Low	61.2	Low	87 Å²	87	94.8 Å²	94.8	41%	0.407	49%	0.494	S	S	.	.			trans	-86.6	129.2	167.5	-169.7	173.3	-6.4	0	0	109.4	Q623 V643	Q621-Q623 PolarHBondContact O-N 3.18Å; Q621-Q623 VanDerWaalsContact O-N 3.07Å; Q621-V643 HydrophobicContact CB-CB 4.39Å; Q621-V643 HydrophobicContact CB-CG1 3.67Å; Q621-V643 HydrophobicContact CB-CG2 3.75Å; Q621-V643 HydrophobicContact CG-CG2 4.45Å
622	N	43.9	Very low	58.4	Low	74 Å²	74	97 Å²	97	40%	0.396	50%	0.501	S	S	.	.			trans	-64.8	107.9	168.4	-161.9	-3.6	0	0	0	108.5	N624 L625	N622-N624 PolarHBondContact O-N 3.37Å; N622-N624 VanDerWaalsContact O-N 3.08Å; N622-L625 PolarHBondContact O-N 3.14Å
623	Q	42	Very low	56.1	Low	169 Å²	169	99.5 Å²	99.5	79%	0.79	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-7.3	177.3	-72.5	-178.5	-18.3	0	0	113.3	Q621	Q621-Q623 PolarHBondContact O-N 3.18Å; Q621-Q623 VanDerWaalsContact O-N 3.07Å
624	N	39	Very low	53.5	Low	140 Å²	140	104.8 Å²	104.8	75%	0.749	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	12.3	-177.7	-64.1	-27.8	0	0	0	114.6	N622 P626	N622-N624 PolarHBondContact O-N 3.37Å; N622-N624 VanDerWaalsContact O-N 3.08Å; N624-P626 WeakPolarHBondContact O-CD 3.39Å
625	L	39.3	Very low	50.8	Low	126 Å²	126	108 Å²	108	66%	0.66	57%	0.571	S	S	*	*	S	Bend	trans	-80.2	113.2	163.4	-88.2	154.9	0	0	0	107.6	N622 D627	N622-L625 PolarHBondContact O-N 3.14Å; L625-D627 PolarHBondContact O-N 2.94Å
626	P	34.5	Very low	48	Very low	108 Å²	108	113 Å²	113	70%	0.701	60%	0.603	S	S	*	*			trans	-62.1	130.8	-177.2	20.4	-26.6	0	0	0	110.6	N624 E628	N624-P626 WeakPolarHBondContact O-CD 3.39Å; P626-E628 PolarHBondContact O-N 3.14Å; P626-E628 VanDerWaalsContact O-N 3.16Å
627	D	39.3	Very low	45.4	Very low	123 Å²	123	114.8 Å²	114.8	66%	0.658	63%	0.625	S	S	*	*	S	Bend	trans	-66.6	-3.5	174.4	-100.8	-38.3	0	0	0	113	L625 Q629 R640	L625-D627 PolarHBondContact O-N 2.94Å; D627-Q629 PolarHBondContact O-N 3.3Å; D627-R640 IonicContact OD1-NH2 2.64Å
628	E	35.5	Very low	43	Very low	178 Å²	178	120.3 Å²	120.3	83%	0.832	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95	68.7	-175.5	-70.8	-171.9	157.9	0	0	113.2	P626	P626-E628 PolarHBondContact O-N 3.14Å; P626-E628 VanDerWaalsContact O-N 3.16Å
629	Q	33.8	Very low	40.8	Very low	179 Å²	179	123.2 Å²	123.2	84%	0.836	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-163.7	28.5	149.7	-113.8	168.1	56.1	0	0	114	D627 T631	D627-Q629 PolarHBondContact O-N 3.3Å; Q629-T631 PolarHBondContact O-N 3.23Å
630	S	34.1	Very low	39.1	Very low	105 Å²	105	128.6 Å²	128.6	73%	0.734	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	32.2	177.1	69.6	0	0	0	0	114.7
631	T	35.5	Very low	37.9	Very low	133 Å²	133	132.8 Å²	132.8	82%	0.816	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.5	19.6	174.8	43.2	0	0	0	0	114.3	Q629	Q629-T631 PolarHBondContact O-N 3.23Å
632	Q	33.4	Very low	37.8	Very low	169 Å²	169	131.9 Å²	131.9	79%	0.79	71%	0.712	S	S	*	*	S	Bend	trans	-120.9	108.2	162.5	-77.9	-176.4	-4.4	0	0	111.3	T634	Q632-T634 PolarHBondContact O-N 3.39Å
633	L	41.4	Very low	38.7	Very low	172 Å²	172	130.4 Å²	130.4	90%	0.901	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-45.4	105.2	160.8	-98.3	70.1	0	0	0	109.1
634	T	31.3	Very low	40.2	Very low	140 Å²	140	127.8 Å²	127.8	86%	0.859	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-179.1	-13.8	151.1	33.7	0	0	0	0	114.5	Q632	Q632-T634 PolarHBondContact O-N 3.39Å
635	A	30.5	Very low	42	Very low	87 Å²	87	123.8 Å²	123.8	72%	0.719	67%	0.67	S	S	*	*	S	Bend	trans	-99.5	125.7	173.8	0	0	0	0	0	111.3
636	P	31.3	Very low	44.1	Very low	106 Å²	106	123 Å²	123	69%	0.688	66%	0.661	S	S	*	*			trans	-63.9	147.9	172.9	26.3	-30.3	0	0	0	109.7	V638	P636-V638 PolarHBondContact O-N 3.4Å
637	P	36.3	Very low	46.6	Very low	120 Å²	120	117.8 Å²	117.8	78%	0.779	63%	0.627	S	S	*	*			trans	-60	110.3	-177.3	23.2	-31.1	0	0	0	109.7	C639	P637-C639 PolarHBondContact O-N 2.92Å; P637-C639 VanDerWaalsContact O-N 3.09Å
638	V	41.2	Very low	49	Very low	136 Å²	136	112.2 Å²	112.2	82%	0.824	60%	0.597	S	S	*	*			trans	-55	118.6	164.6	177.4	0	0	0	0	106.2	P636 R640	P636-V638 PolarHBondContact O-N 3.4Å; V638-R640 PolarHBondContact O-N 2.96Å
639	C	39.4	Very low	51.5	Low	73 Å²	73	106.2 Å²	106.2	49%	0.493	58%	0.578	S	S	.	*			trans	-58.7	99.8	-167.6	-71.4	0	0	0	0	112	P637 Y641 H642	P637-C639 PolarHBondContact O-N 2.92Å; P637-C639 VanDerWaalsContact O-N 3.09Å; C639-Y641 PolarHBondContact O-N 3.38Å; C639-H642 PolarHBondContact O-N 3.41Å
640	R	40	Very low	54.4	Low	165 Å²	165	98.2 Å²	98.2	62%	0.623	54%	0.542	S	S	*	.	G	3₁₀ helix	trans	-56.2	-11.5	171.8	-67.9	-176.9	-166.1	-153.9	-4.8	113.9	D627 V638	D627-R640 IonicContact OD1-NH2 2.64Å; V638-R640 PolarHBondContact O-N 2.96Å
641	Y	40.5	Very low	57.3	Low	198 Å²	198	93.2 Å²	93.2	78%	0.776	51%	0.507	S	S	*	.	G	3₁₀ helix	trans	-88.6	4.1	-177.5	-56.8	-78.8	0	0	0	115	C639 V643	C639-Y641 PolarHBondContact O-N 3.38Å; Y641-V643 VanDerWaalsContact C-N 3.33Å
642	H	52.1	Low	60.1	Low	69 Å²	69	90.4 Å²	90.4	32%	0.319	49%	0.487	S	S	.	.	G	3₁₀ helix	trans	-92.9	4.6	173.1	-81.4	-125.5	0	0	0	112.9	R619 C639 R732	R619-H642 WeakPolarHBondContact CD-O 3.49Å; R619-H642 PolarHBondContact NH1-ND1 3.03Å; R619-H642 PolarHBondContact NH1-O 2.85Å; R619-H642 VanDerWaalsContact NH1-O 3.1Å; C639-H642 PolarHBondContact O-N 3.41Å; H642-R732 PolarHBondContact CD2-NH2 3.46Å; H642-R732 PolarHBondContact NE2-NH2 2.79Å; H642-R732 VanDerWaalsContact NE2-NH2 3.13Å
643	V	62.6	Low	63	Low	43 Å²	43	83.8 Å²	83.8	26%	0.261	46%	0.455	S	S	.	.			trans	-99.2	117.8	-173.9	-175.9	0	0	0	0	108	Q621 Y641 P645	Q621-V643 HydrophobicContact CB-CB 4.39Å; Q621-V643 HydrophobicContact CB-CG1 3.67Å; Q621-V643 HydrophobicContact CB-CG2 3.75Å; Q621-V643 HydrophobicContact CG-CG2 4.45Å; Y641-V643 VanDerWaalsContact C-N 3.33Å; V643-P645 HydrophobicContact CG1-CG 3.75Å
644	W	72.3	Confident	65.4	Low	113 Å²	113	79.3 Å²	79.3	43%	0.428	44%	0.442	S	S	.	.			trans	-138.6	70.2	178.9	-173.2	-108.9	0	0	0	109.8	R619 K646 G647 D670	R619-W644 HydrophobicContact CB-CB 4.18Å; R619-W644 CarbonylContact O-C 3.59Å; R619-W644 PolarHBondContact O-N 3.13Å; W644-K646 VanDerWaalsContact C-N 3.27Å; W644-K646 PolarHBondContact O-N 3.04Å; W644-G647 VanDerWaalsContact CD1-CA 3.44Å; W644-G647 VanDerWaalsContact CD1-N 3.34Å; W644-G647 PolarHBondContact O-N 3.27Å; W644-D670 HydrophobicContact CZ2-CB 3.52Å; W644-D670 VanDerWaalsContact CZ2-CG 3.5Å
645	P	77.4	Confident	68.5	Low	57 Å²	57	77 Å²	77	37%	0.37	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-64.8	-34.2	-171.1	-21.8	35.9	0	0	0	111.9	Y620 V643 G647 H648 A649	Y620-P645 HydrophobicContact CD2-CB 4.42Å; V643-P645 HydrophobicContact CG1-CG 3.75Å; P645-G647 PolarHBondContact O-N 3.36Å; P645-H648 PolarHBondContact O-N 3.16Å; P645-H648 VanDerWaalsContact O-N 3.15Å; P645-A649 VanDerWaalsContact O-CB 3.25Å; P645-A649 WeakPolarHBondContact O-CB 3.28Å; P645-A649 PolarHBondContact O-N 3.22Å
646	K	83.4	Confident	71.7	Confident	108 Å²	108	73 Å²	73	47%	0.47	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-56.4	-34.9	178.6	-67.4	-170	177.4	-175.9	0	112.7	W644 H648 D670	W644-K646 VanDerWaalsContact C-N 3.27Å; W644-K646 PolarHBondContact O-N 3.04Å; K646-H648 PolarHBondContact O-N 3.48Å; K646-H648 VanDerWaalsContact O-N 3.16Å; K646-D670 HydrophobicContact CB-CB 4.34Å
647	G	86.9	Confident	74.8	Confident	0 Å²	0	71.7 Å²	71.7	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-63.2	-23	-179.3	0	0	0	0	0	115	W644 P645 D670 F671 E672	W644-G647 VanDerWaalsContact CD1-CA 3.44Å; W644-G647 VanDerWaalsContact CD1-N 3.34Å; W644-G647 PolarHBondContact O-N 3.27Å; P645-G647 PolarHBondContact O-N 3.36Å; G647-D670 WeakPolarHBondContact CA-O 3.41Å; G647-F671 VanDerWaalsContact O-CD2 3.29Å; G647-F671 WeakPolarHBondContact O-CD2 3.44Å; G647-E672 CarbonylContact O-C 3.44Å; G647-E672 PolarHBondContact O-N 3.34Å
648	H	90.8	Very high	77.7	Confident	5 Å²	5	71.5 Å²	71.5	2%	0.023	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-6	-177.5	-64.4	-82.3	0	0	0	114.3	F618 P645 K646 P650 T651 Y653 E672	F618-H648 AromaticContact CD1-CD2 3.53Å; F618-H648 AromaticContact CD1-CE1 3.59Å; F618-H648 AromaticContact CD1-NE2 3.12Å; F618-H648 WeakPolarHBondContact CD1-NE2 3.47Å; F618-H648 AromaticContact CE1-CE1 3.93Å; F618-H648 AromaticContact CE1-NE2 3.27Å; F618-H648 VanDerWaalsContact CE1-NE2 3.27Å; F618-H648 WeakPolarHBondContact CE1-NE2 3.46Å; P645-H648 PolarHBondContact O-N 3.16Å; P645-H648 VanDerWaalsContact O-N 3.15Å; K646-H648 PolarHBondContact O-N 3.48Å; K646-H648 VanDerWaalsContact O-N 3.16Å; H648-P650 VanDerWaalsContact C-CD 3.5Å; H648-T651 WeakPolarHBondContact O-CB 3.07Å; H648-T651 PolarHBondContact O-N 3.05Å; H648-T651 PolarHBondContact O-OG1 3.16Å; H648-Y653 HydrophobicContact CB-CE2 3.97Å; H648-E672 PolarHBondContact CE1-O 2.96Å
649	A	88.1	Confident	80.4	Confident	52 Å²	52	65.8 Å²	65.8	43%	0.43	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-52.2	-43.2	-178.9	0	0	0	0	0	113.9	P645 T651 N652	P645-A649 VanDerWaalsContact O-CB 3.25Å; P645-A649 WeakPolarHBondContact O-CB 3.28Å; P645-A649 PolarHBondContact O-N 3.22Å; A649-T651 PolarHBondContact O-N 3.12Å; A649-N652 PolarHBondContact O-N 3.14Å
650	P	93.9	Very high	83.1	Confident	11 Å²	11	68 Å²	68	7%	0.071	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-59.3	-22.5	178.2	-27.8	37.2	0	0	0	114.5	H648 N652 V665 E668 F671	H648-P650 VanDerWaalsContact C-CD 3.5Å; P650-N652 PolarHBondContact O-N 2.89Å; P650-N652 VanDerWaalsContact O-N 3.08Å; P650-V665 WeakPolarHBondContact O-CB 2.85Å; P650-V665 WeakPolarHBondContact O-CG1 3.37Å; P650-E668 HydrophobicContact CG-CB 3.71Å; P650-E668 HydrophobicContact CG-CG 3.86Å; P650-F671 HydrophobicContact CB-CD1 4.14Å; P650-F671 HydrophobicContact CB-CD2 3.79Å; P650-F671 HydrophobicContact CB-CE1 4.06Å; P650-F671 HydrophobicContact CB-CE2 3.75Å; P650-F671 HydrophobicContact CB-CG 4.02Å; P650-F671 HydrophobicContact CB-CZ 3.89Å; P650-F671 HydrophobicContact CG-CB 4.09Å; P650-F671 HydrophobicContact CG-CD1 4.3Å; P650-F671 HydrophobicContact CG-CD2 3.55Å; P650-F671 HydrophobicContact CG-CE2 4.02Å; P650-F671 HydrophobicContact CG-CG 3.74Å
651	T	94.5	Very high	85.8	Confident	1 Å²	1	64.6 Å²	64.6	1%	0.006	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-57.2	-24.7	173.7	-46.6	0	0	0	0	112.1	P588 H648 A649 Y653 Y663 V711	P588-T651 HydrophobicContact CB-CG2 4.09Å; P588-T651 HydrophobicContact CG-CG2 3.94Å; H648-T651 WeakPolarHBondContact O-CB 3.07Å; H648-T651 PolarHBondContact O-N 3.05Å; H648-T651 PolarHBondContact O-OG1 3.16Å; A649-T651 PolarHBondContact O-N 3.12Å; T651-Y653 HydrophobicContact CG2-CE1 4.27Å; T651-Y653 HydrophobicContact CG2-CE2 4.45Å; T651-Y663 PolarHBondContact O-OH 3.07Å; T651-V711 HydrophobicContact CG2-CG1 4.12Å; T651-V711 HydrophobicContact CG2-CG2 4.35Å
652	N	94.4	Very high	88.5	Confident	74 Å²	74	57.2 Å²	57.2	40%	0.396	32%	0.317	S	S	.	.			trans	52.3	68.5	-179.9	-167	-22	0	0	0	112.6	A649 P650 A654 K655 W656 Y663	A649-N652 PolarHBondContact O-N 3.14Å; P650-N652 PolarHBondContact O-N 2.89Å; P650-N652 VanDerWaalsContact O-N 3.08Å; N652-A654 PolarHBondContact O-N 3.44Å; N652-A654 VanDerWaalsContact O-N 3.12Å; N652-K655 HydrophobicContact CB-CB 4.18Å; N652-K655 WeakPolarHBondContact O-CB 3.25Å; N652-K655 PolarHBondContact O-N 3.28Å; N652-K655 WeakPolarHBondContact OD1-CB 3.41Å; N652-K655 PolarHBondContact OD1-N 3.03Å; N652-W656 PolarHBondContact O-N 2.99Å; N652-Y663 PolarHBondContact O-OH 3.38Å
653	Y	93.7	Very high	90.7	Very high	30 Å²	30	54.6 Å²	54.6	12%	0.118	31%	0.305	C	S	.	.	H	α-helix	trans	-57.7	-27.9	-179.2	-69.4	-81.6	0	0	0	113.7	P588 A589 F590 T617 H648 T651 W656 R657	P588-Y653 HydrophobicContact CB-CE1 4.04Å; A589-Y653 WeakPolarHBondContact O-CE1 3.44Å; A589-Y653 PolarHBondContact O-OH 2.89Å; F590-Y653 AromaticContact CE1-CD1 3.85Å; F590-Y653 HydrophobicContact CE1-CD1 3.85Å; F590-Y653 AromaticContact CE1-CE1 3.95Å; F590-Y653 HydrophobicContact CE1-CE1 3.95Å; F590-Y653 HydrophobicContact CE2-CE1 4.43Å; F590-Y653 AromaticContact CZ-CD1 3.89Å; F590-Y653 HydrophobicContact CZ-CD1 3.89Å; F590-Y653 AromaticContact CZ-CE1 3.88Å; F590-Y653 HydrophobicContact CZ-CE1 3.88Å; T617-Y653 HydrophobicContact CG2-CD1 3.61Å; T617-Y653 HydrophobicContact CG2-CD2 3.88Å; T617-Y653 HydrophobicContact CG2-CE1 4.14Å; T617-Y653 HydrophobicContact CG2-CE2 4.39Å; T617-Y653 HydrophobicContact CG2-CG 3.46Å; T617-Y653 VanDerWaalsContact CG2-CG 3.46Å; H648-Y653 HydrophobicContact CB-CE2 3.97Å; T651-Y653 HydrophobicContact CG2-CE1 4.27Å; T651-Y653 HydrophobicContact CG2-CE2 4.45Å; Y653-W656 PolarHBondContact O-N 3.41Å; Y653-R657 WeakPolarHBondContact O-CG 3.39Å; Y653-R657 PolarHBondContact O-N 3.35Å
654	A	93	Very high	92.4	Very high	77 Å²	77	57.3 Å²	57.3	64%	0.636	31%	0.313	S	S	*	.	H	α-helix	trans	-63.6	-47.3	174.6	0	0	0	0	0	111.4	N652	N652-A654 PolarHBondContact O-N 3.44Å; N652-A654 VanDerWaalsContact O-N 3.12Å
655	K	96.7	Very high	93.6	Very high	93 Å²	93	52.6 Å²	52.6	40%	0.404	30%	0.296	S	S	.	.	H	α-helix	trans	-64.8	-40.5	171.5	-176.5	177.1	178.1	-177.5	0	111.4	N652 R657 T658 A659 Y663	N652-K655 HydrophobicContact CB-CB 4.18Å; N652-K655 WeakPolarHBondContact O-CB 3.25Å; N652-K655 PolarHBondContact O-N 3.28Å; N652-K655 WeakPolarHBondContact OD1-CB 3.41Å; N652-K655 PolarHBondContact OD1-N 3.03Å; K655-R657 VanDerWaalsContact C-N 3.31Å; K655-R657 PolarHBondContact O-N 3.29Å; K655-T658 PolarHBondContact O-N 2.75Å; K655-T658 PolarHBondContact O-OG1 3.11Å; K655-A659 WeakPolarHBondContact O-CB 3.15Å; K655-A659 PolarHBondContact O-N 3.41Å; K655-Y663 HydrophobicContact CD-CD1 4.47Å; K655-Y663 HydrophobicContact CD-CD2 3.78Å; K655-Y663 HydrophobicContact CD-CE2 3.81Å; K655-Y663 HydrophobicContact CD-CG 4.1Å; K655-Y663 HydrophobicContact CG-CE1 4.32Å; K655-Y663 HydrophobicContact CG-CE2 4.29Å
656	W	97.2	Very high	94.4	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-58	-39.7	179.2	-173	81	0	0	0	113	P588 F590 K603 L606 L607 N652 Y653 T658 A659 Y663 L712 P713 A715 F716	P588-W656 HydrophobicContact CG-CG 4.3Å; F590-W656 HydrophobicContact CE1-CZ3 4.33Å; F590-W656 HydrophobicContact CE2-CH2 4.05Å; F590-W656 HydrophobicContact CE2-CZ2 4.4Å; F590-W656 HydrophobicContact CE2-CZ3 4.2Å; F590-W656 HydrophobicContact CZ-CD2 4.38Å; F590-W656 AromaticContact CZ-CE3 3.8Å; F590-W656 HydrophobicContact CZ-CE3 3.8Å; F590-W656 AromaticContact CZ-CH2 3.83Å; F590-W656 HydrophobicContact CZ-CH2 3.83Å; F590-W656 HydrophobicContact CZ-CZ2 4.4Å; F590-W656 AromaticContact CZ-CZ3 3.51Å; F590-W656 HydrophobicContact CZ-CZ3 3.51Å; K603-W656 HydrophobicContact CD-CH2 4.12Å; K603-W656 HydrophobicContact CD-CZ2 4.24Å; K603-W656 WeakPolarHBondContact CE-O 3.29Å; K603-W656 HydrophobicContact CG-CH2 3.8Å; K603-W656 HydrophobicContact CG-CZ2 4.35Å; K603-W656 HydrophobicContact CG-CZ3 4.28Å; K603-W656 PolarHBondContact NZ-O 3.22Å; L606-W656 HydrophobicContact CD2-CH2 3.42Å; L606-W656 VanDerWaalsContact CD2-CH2 3.42Å; L606-W656 HydrophobicContact CD2-CZ3 3.75Å; L607-W656 HydrophobicContact CD2-CZ3 4.16Å; N652-W656 PolarHBondContact O-N 2.99Å; Y653-W656 PolarHBondContact O-N 3.41Å; W656-T658 PolarHBondContact O-N 3.45Å; W656-A659 PolarHBondContact O-N 3.41Å; W656-Y663 WeakPolarHBondContact CA-OH 3.12Å; W656-Y663 VanDerWaalsContact CB-OH 3.31Å; W656-Y663 WeakPolarHBondContact CB-OH 3.12Å; W656-Y663 PolarHBondContact N-OH 2.9Å; W656-L712 PolarHBondContact NE1-O 3.13Å; W656-P713 PolarHBondContact NE1-O 2.93Å; W656-A715 WeakPolarHBondContact CZ2-O 3.21Å; W656-F716 HydrophobicContact CH2-CB 4.47Å; W656-F716 HydrophobicContact CZ2-CB 4.33Å
657	R	96.3	Very high	94.9	Very high	80 Å²	80	51.9 Å²	51.9	30%	0.302	29%	0.289	S	S	.	.	H	α-helix	trans	-51.9	-42.2	-179.7	-76.6	-171.9	117.4	79.3	-7.1	112.4	K603 L607 L610 D611 Y653 K655	K603-R657 WeakPolarHBondContact CE-O 3.32Å; L607-R657 HydrophobicContact CD2-CB 4.02Å; L607-R657 HydrophobicContact CD2-CG 3.58Å; L610-R657 VanDerWaalsContact CB-NH2 3.3Å; D611-R657 IonicContact OD1-CZ 3.12Å; D611-R657 IonicContact OD1-NH2 3.14Å; D611-R657 PolarHBondContact OD1-NH2 3.28Å; Y653-R657 WeakPolarHBondContact O-CG 3.39Å; Y653-R657 PolarHBondContact O-N 3.35Å; K655-R657 VanDerWaalsContact C-N 3.31Å; K655-R657 PolarHBondContact O-N 3.29Å
658	T	96.9	Very high	95.1	Very high	116 Å²	116	57 Å²	57	71%	0.712	31%	0.313	S	S	*	.	H	α-helix	trans	-102.2	-11	-175.1	57.4	0	0	0	0	113.9	K655 W656 T660	K655-T658 PolarHBondContact O-N 2.75Å; K655-T658 PolarHBondContact O-OG1 3.11Å; W656-T658 PolarHBondContact O-N 3.45Å; T658-T660 PolarHBondContact O-N 3.32Å
659	A	97.4	Very high	94.9	Very high	15 Å²	15	58.1 Å²	58.1	12%	0.124	32%	0.321	C	S	.	.			trans	-62.5	132.7	-179.5	0	0	0	0	0	112.3	K603 K655 W656 Y663 P713	K603-A659 PolarHBondContact NZ-O 3.38Å; K655-A659 WeakPolarHBondContact O-CB 3.15Å; K655-A659 PolarHBondContact O-N 3.41Å; W656-A659 PolarHBondContact O-N 3.41Å; A659-Y663 HydrophobicContact CB-CD1 3.97Å; A659-Y663 HydrophobicContact CB-CE1 3.73Å; A659-P713 HydrophobicContact CB-CB 4.04Å; A659-P713 WeakPolarHBondContact O-CB 3.49Å
660	T	96.3	Very high	94.9	Very high	119 Å²	119	56 Å²	56	73%	0.73	30%	0.303	S	S	*	.			trans	-111	-17.1	172.2	53.8	0	0	0	0	112.6	T658	T658-T660 PolarHBondContact O-N 3.32Å
661	T	97.2	Very high	94.8	Very high	94 Å²	94	55.5 Å²	55.5	58%	0.577	30%	0.299	S	S	*	.	S	Bend	trans	-120.5	152.3	177	54.9	0	0	0	0	111.1
662	P	98	Very high	94.8	Very high	43 Å²	43	57 Å²	57	28%	0.279	31%	0.306	S	S	.	.			trans	-58.3	145.9	172.3	-24.4	35.8	0	0	0	112.2	L576 M710 V711 L712 P713	L576-P662 HydrophobicContact CD1-CB 4.17Å; L576-P662 HydrophobicContact CD1-CG 4.09Å; L576-P662 HydrophobicContact CD2-CB 4.21Å; L576-P662 HydrophobicContact CD2-CG 4.09Å; P662-M710 HydrophobicContact CB-CE 4.2Å; P662-V711 VanDerWaalsContact CA-O 3.32Å; P662-V711 WeakPolarHBondContact CA-O 3.39Å; P662-L712 HydrophobicContact CG-CD2 4.38Å; P662-P713 HydrophobicContact CG-CG 4.38Å
663	Y	98.3	Very high	94.8	Very high	15 Å²	15	53.7 Å²	53.7	6%	0.059	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	143.1	179.2	60.1	-88.3	0	0	0	112	T651 N652 K655 W656 A659 V665 V711	T651-Y663 PolarHBondContact O-OH 3.07Å; N652-Y663 PolarHBondContact O-OH 3.38Å; K655-Y663 HydrophobicContact CD-CD1 4.47Å; K655-Y663 HydrophobicContact CD-CD2 3.78Å; K655-Y663 HydrophobicContact CD-CE2 3.81Å; K655-Y663 HydrophobicContact CD-CG 4.1Å; K655-Y663 HydrophobicContact CG-CE1 4.32Å; K655-Y663 HydrophobicContact CG-CE2 4.29Å; W656-Y663 WeakPolarHBondContact CA-OH 3.12Å; W656-Y663 VanDerWaalsContact CB-OH 3.31Å; W656-Y663 WeakPolarHBondContact CB-OH 3.12Å; W656-Y663 PolarHBondContact N-OH 2.9Å; A659-Y663 HydrophobicContact CB-CD1 3.97Å; A659-Y663 HydrophobicContact CB-CE1 3.73Å; Y663-V665 HydrophobicContact CD2-CG1 3.82Å; Y663-V665 HydrophobicContact CE2-CG1 3.66Å; Y663-V711 HydrophobicContact CD1-CB 4.38Å; Y663-V711 HydrophobicContact CD2-CB 4.15Å; Y663-V711 HydrophobicContact CD2-CG2 4.39Å; Y663-V711 HydrophobicContact CE1-CB 3.95Å; Y663-V711 HydrophobicContact CE1-CG1 3.95Å; Y663-V711 HydrophobicContact CE2-CB 3.71Å; Y663-V711 HydrophobicContact CE2-CG1 4.19Å; Y663-V711 HydrophobicContact CE2-CG2 3.85Å; Y663-V711 HydrophobicContact CG-CB 4.48Å; Y663-V711 PolarHBondContact N-O 3.44Å; Y663-V711 PolarHBondContact O-N 3.25Å; Y663-V711 WeakPolarHBondContact OH-CG1 3.22Å
664	K	97.9	Very high	95	Very high	99 Å²	99	52.4 Å²	52.4	43%	0.43	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	144	173.8	-175.8	171.4	170.3	169.7	0	110.8	E666 D708 L709 M710	K664-E666 WeakPolarHBondContact CE-OE1 2.99Å; K664-D708 VanDerWaalsContact CE-OD1 3.3Å; K664-D708 WeakPolarHBondContact CE-OD1 3.38Å; K664-D708 IonicContact NZ-OD1 3.32Å; K664-D708 PolarHBondContact NZ-OD1 3.46Å; K664-L709 WeakPolarHBondContact CA-O 3.27Å; K664-M710 HydrophobicContact CB-SD 3.76Å; K664-M710 HydrophobicContact CG-SD 4.44Å
665	V	97.1	Very high	95.3	Very high	14 Å²	14	48.9 Å²	48.9	9%	0.085	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150	168	-61.4	0	0	0	0	109.3	P650 Y663 F671 L709 V711	P650-V665 WeakPolarHBondContact O-CB 2.85Å; P650-V665 WeakPolarHBondContact O-CG1 3.37Å; Y663-V665 HydrophobicContact CD2-CG1 3.82Å; Y663-V665 HydrophobicContact CE2-CG1 3.66Å; V665-F671 HydrophobicContact CG2-CE1 4.24Å; V665-F671 HydrophobicContact CG2-CZ 4.38Å; V665-L709 HydrophobicContact CG2-CB 3.89Å; V665-L709 PolarHBondContact N-O 3.29Å; V665-V711 HydrophobicContact CB-CG2 4.45Å; V665-V711 HydrophobicContact CG1-CG2 3.6Å; V665-V711 HydrophobicContact CG2-CG2 3.96Å
666	E	94.1	Very high	95.3	Very high	121 Å²	121	44.5 Å²	44.5	57%	0.565	24%	0.235	S	C	*	.			trans	-84.9	145.4	174.2	-62.7	-56.3	135.5	0	0	109.7	K664	K664-E666 WeakPolarHBondContact CE-OE1 2.99Å
667	W	93.4	Very high	95.4	Very high	29 Å²	29	44.4 Å²	44.4	11%	0.11	24%	0.235	C	C	.	.			trans	-67.1	140.6	172.8	177.8	94.9	0	0	0	110.4	M700 D703 L709 Y763	W667-M700 HydrophobicContact CH2-CE 4.46Å; W667-M700 HydrophobicContact CZ2-CE 3.88Å; W667-M700 HydrophobicContact CZ2-CG 4.11Å; W667-D703 HydrophobicContact CB-CB 4.06Å; W667-D703 WeakPolarHBondContact CB-OD1 3.37Å; W667-D703 WeakPolarHBondContact CB-OD2 3.49Å; W667-D703 HydrophobicContact CG-CB 3.97Å; W667-L709 HydrophobicContact CB-CD1 3.98Å; W667-Y763 AromaticContact CD2-CE1 3.99Å; W667-Y763 HydrophobicContact CD2-CE1 3.99Å; W667-Y763 HydrophobicContact CE3-CD1 4.13Å; W667-Y763 AromaticContact CE3-CE1 3.74Å; W667-Y763 HydrophobicContact CE3-CE1 3.74Å; W667-Y763 AromaticContact CH2-CD1 3.45Å; W667-Y763 HydrophobicContact CH2-CD1 3.45Å; W667-Y763 VanDerWaalsContact CH2-CD1 3.45Å; W667-Y763 AromaticContact CH2-CE1 3.76Å; W667-Y763 HydrophobicContact CH2-CE1 3.76Å; W667-Y763 HydrophobicContact CZ2-CD1 4.02Å; W667-Y763 HydrophobicContact CZ2-CE1 4.01Å; W667-Y763 AromaticContact CZ3-CD1 3.51Å; W667-Y763 HydrophobicContact CZ3-CD1 3.51Å; W667-Y763 AromaticContact CZ3-CE1 3.62Å; W667-Y763 HydrophobicContact CZ3-CE1 3.62Å
668	E	91.4	Very high	95.4	Very high	108 Å²	108	45.3 Å²	45.3	51%	0.505	24%	0.238	S	C	.	.			trans	-130.2	161.5	170.4	-62.6	-179.2	-163.7	0	0	110.1	P650 D670 F671	P650-E668 HydrophobicContact CG-CB 3.71Å; P650-E668 HydrophobicContact CG-CG 3.86Å; E668-D670 PolarHBondContact O-N 3.34Å; E668-F671 WeakPolarHBondContact O-CB 3.03Å; E668-F671 PolarHBondContact O-N 2.87Å
669	S	86.8	Confident	95.4	Very high	29 Å²	29	45.1 Å²	45.1	20%	0.203	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	137.3	-179.7	-170.9	0	0	0	0	112.1	F671 M770	S669-F671 PolarHBondContact O-N 3.27Å; S669-M770 VanDerWaalsContact CB-CE 3.43Å; S669-M770 WeakPolarHBondContact OG-CE 3.37Å
670	D	88.4	Confident	95.3	Very high	8 Å²	8	49.5 Å²	49.5	4%	0.043	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	9.8	-176.3	-57	-64.8	0	0	0	115.9	W644 K646 G647 E668 E672 W693	W644-D670 HydrophobicContact CZ2-CB 3.52Å; W644-D670 VanDerWaalsContact CZ2-CG 3.5Å; K646-D670 HydrophobicContact CB-CB 4.34Å; G647-D670 WeakPolarHBondContact CA-O 3.41Å; E668-D670 PolarHBondContact O-N 3.34Å; D670-E672 PolarHBondContact O-N 3.06Å; D670-W693 PolarHBondContact OD1-NE1 3.01Å
671	F	92.9	Very high	95.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.215	C	C	.	.			trans	-60.3	126.9	177.6	-171.8	-142.2	0	0	0	111.7	G647 P650 V665 E668 S669 P673 I699 L709	G647-F671 VanDerWaalsContact O-CD2 3.29Å; G647-F671 WeakPolarHBondContact O-CD2 3.44Å; P650-F671 HydrophobicContact CB-CD1 4.14Å; P650-F671 HydrophobicContact CB-CD2 3.79Å; P650-F671 HydrophobicContact CB-CE1 4.06Å; P650-F671 HydrophobicContact CB-CE2 3.75Å; P650-F671 HydrophobicContact CB-CG 4.02Å; P650-F671 HydrophobicContact CB-CZ 3.89Å; P650-F671 HydrophobicContact CG-CB 4.09Å; P650-F671 HydrophobicContact CG-CD1 4.3Å; P650-F671 HydrophobicContact CG-CD2 3.55Å; P650-F671 HydrophobicContact CG-CE2 4.02Å; P650-F671 HydrophobicContact CG-CG 3.74Å; V665-F671 HydrophobicContact CG2-CE1 4.24Å; V665-F671 HydrophobicContact CG2-CZ 4.38Å; E668-F671 WeakPolarHBondContact O-CB 3.03Å; E668-F671 PolarHBondContact O-N 2.87Å; S669-F671 PolarHBondContact O-N 3.27Å; F671-P673 HydrophobicContact CD1-CG 4.02Å; F671-P673 HydrophobicContact CD2-CG 4.46Å; F671-P673 HydrophobicContact CE1-CB 4.18Å; F671-P673 HydrophobicContact CE1-CG 3.59Å; F671-P673 HydrophobicContact CE2-CB 3.97Å; F671-P673 HydrophobicContact CE2-CG 4.05Å; F671-P673 HydrophobicContact CG-CG 4.43Å; F671-P673 HydrophobicContact CZ-CB 3.67Å; F671-P673 HydrophobicContact CZ-CG 3.6Å; F671-I699 HydrophobicContact CD1-CG2 4.39Å; F671-L709 HydrophobicContact CD1-CD1 4.11Å; F671-L709 HydrophobicContact CE1-CD1 3.97Å
672	E	93.2	Very high	95.2	Very high	31 Å²	31	40.7 Å²	40.7	15%	0.145	19%	0.192	C	C	.	.			trans	-136.5	54.8	-170.3	-157.6	-178.4	-164.1	0	0	112.5	G647 H648 D670 K695 V696	G647-E672 CarbonylContact O-C 3.44Å; G647-E672 PolarHBondContact O-N 3.34Å; H648-E672 PolarHBondContact CE1-O 2.96Å; D670-E672 PolarHBondContact O-N 3.06Å; E672-K695 HydrophobicContact CG-CB 3.68Å; E672-K695 HydrophobicContact CG-CD 4.49Å; E672-K695 WeakPolarHBondContact OE1-CB 3.32Å; E672-K695 WeakPolarHBondContact OE1-CE 3.36Å; E672-K695 IonicContact OE1-NZ 3.68Å; E672-V696 HydrophobicContact CB-CG2 3.97Å; E672-V696 HydrophobicContact CG-CG2 3.92Å
673	P	95.4	Very high	95.2	Very high	5 Å²	5	42.5 Å²	42.5	3%	0.032	20%	0.197	C	C	.	.			trans	-68.5	164.2	178.3	31.6	-38.6	0	0	0	113.1	V586 F671 V675 I699	V586-P673 HydrophobicContact CB-CB 4.46Å; V586-P673 HydrophobicContact CG1-CB 3.72Å; V586-P673 HydrophobicContact CG2-CB 4.01Å; V586-P673 HydrophobicContact CG2-CG 4.29Å; F671-P673 HydrophobicContact CD1-CG 4.02Å; F671-P673 HydrophobicContact CD2-CG 4.46Å; F671-P673 HydrophobicContact CE1-CB 4.18Å; F671-P673 HydrophobicContact CE1-CG 3.59Å; F671-P673 HydrophobicContact CE2-CB 3.97Å; F671-P673 HydrophobicContact CE2-CG 4.05Å; F671-P673 HydrophobicContact CG-CG 4.43Å; F671-P673 HydrophobicContact CZ-CB 3.67Å; F671-P673 HydrophobicContact CZ-CG 3.6Å; P673-V675 HydrophobicContact CB-CG1 4.12Å; P673-V675 HydrophobicContact CG-CG1 3.87Å; P673-I699 HydrophobicContact CG-CD1 3.99Å; P673-I699 HydrophobicContact CG-CG1 4.21Å; P673-I699 HydrophobicContact CG-CG2 4.1Å
674	Y	97.6	Very high	95.2	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	126.4	164.8	-64.6	-79.1	0	0	0	109	D556 F559 V586 V587 A589 F618 K695 M717	D556-Y674 HydrophobicContact CB-CE1 4.41Å; D556-Y674 WeakPolarHBondContact OD2-CE1 3.31Å; D556-Y674 PolarHBondContact OD2-OH 2.81Å; F559-Y674 HydrophobicContact CD1-CE2 4.3Å; F559-Y674 HydrophobicContact CD2-CE1 4.31Å; F559-Y674 AromaticContact CD2-CZ 3.96Å; F559-Y674 HydrophobicContact CE1-CD2 4.36Å; F559-Y674 AromaticContact CE1-CE2 3.61Å; F559-Y674 HydrophobicContact CE1-CE2 3.61Å; F559-Y674 AromaticContact CE1-CZ 3.93Å; F559-Y674 HydrophobicContact CE2-CE1 4.13Å; F559-Y674 AromaticContact CE2-CE2 3.97Å; F559-Y674 HydrophobicContact CE2-CE2 3.97Å; F559-Y674 AromaticContact CE2-CZ 3.39Å; F559-Y674 WeakPolarHBondContact CE2-OH 3.45Å; F559-Y674 HydrophobicContact CZ-CE1 4.43Å; F559-Y674 AromaticContact CZ-CE2 3.43Å; F559-Y674 HydrophobicContact CZ-CE2 3.43Å; F559-Y674 VanDerWaalsContact CZ-CE2 3.43Å; F559-Y674 AromaticContact CZ-CZ 3.36Å; F559-Y674 WeakPolarHBondContact CZ-OH 3.33Å; V586-Y674 WeakPolarHBondContact CA-O 3.19Å; V587-Y674 PolarHBondContact N-O 2.78Å; A589-Y674 HydrophobicContact CB-CD2 3.86Å; A589-Y674 HydrophobicContact CB-CE2 4Å; F618-Y674 HydrophobicContact CD1-CE2 4.45Å; F618-Y674 HydrophobicContact CE1-CE2 4.22Å; Y674-K695 VanDerWaalsContact CZ-NZ 3.31Å; Y674-K695 PolarHBondContact OH-NZ 3.1Å; Y674-M717 HydrophobicContact CD1-SD 4.32Å; Y674-M717 HydrophobicContact CD2-SD 3.88Å; Y674-M717 HydrophobicContact CG-SD 3.66Å
675	V	98.1	Very high	95.1	Very high	2 Å²	2	39 Å²	39	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	145.2	-167.7	-61.7	0	0	0	0	113	L554 A584 L585 V586 P673 V677 I699 L702	L554-V675 HydrophobicContact CD1-CG2 4.23Å; L554-V675 PolarHBondContact N-O 3.37Å; A584-V675 HydrophobicContact CB-CB 4.47Å; A584-V675 HydrophobicContact CB-CG1 4.49Å; L585-V675 CarbonylContact O-C 3.57Å; L585-V675 VanDerWaalsContact O-CA 3.29Å; L585-V675 WeakPolarHBondContact O-CA 3.3Å; V586-V675 HydrophobicContact CG2-CG1 4Å; P673-V675 HydrophobicContact CB-CG1 4.12Å; P673-V675 HydrophobicContact CG-CG1 3.87Å; V675-V677 HydrophobicContact CB-CG1 4.3Å; V675-V677 HydrophobicContact CG2-CG1 4.02Å; V675-I699 HydrophobicContact CG1-CD1 4.06Å; V675-I699 HydrophobicContact CG2-CD1 3.97Å; V675-L702 HydrophobicContact CG2-CD1 4.23Å
676	V	98.6	Very high	95.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.7	162.9	-175.1	0	0	0	0	108.2	V467 V552 F553 L569 L585 V587	V467-V676 HydrophobicContact CG1-CG1 3.92Å; V552-V676 VanDerWaalsContact O-CA 3.28Å; V552-V676 WeakPolarHBondContact O-CA 3.35Å; F553-V676 HydrophobicContact CB-CG2 3.91Å; F553-V676 HydrophobicContact CD2-CG2 3.51Å; F553-V676 HydrophobicContact CE2-CG2 4.2Å; F553-V676 HydrophobicContact CG-CG2 3.84Å; L569-V676 HydrophobicContact CD1-CG2 3.7Å; L569-V676 HydrophobicContact CD2-CB 4.44Å; L569-V676 HydrophobicContact CD2-CG2 3.7Å; L569-V676 HydrophobicContact CG-CG2 4.27Å; L585-V676 HydrophobicContact CB-CB 4.17Å; L585-V676 PolarHBondContact N-O 3.34Å; L585-V676 PolarHBondContact O-N 3.15Å; V587-V676 HydrophobicContact CG2-CG2 4.26Å
677	V	98.1	Very high	95.1	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	164.5	-176.6	-71	0	0	0	0	109.6	Y551 V552 L554 A584 V675 C681 L702	Y551-V677 CarbonylContact C-O 3.24Å; Y551-V677 WeakPolarHBondContact CA-O 3.39Å; V552-V677 HydrophobicContact CG2-CG2 3.83Å; V552-V677 PolarHBondContact N-O 3.31Å; V552-V677 PolarHBondContact O-N 3.31Å; L554-V677 HydrophobicContact CD1-CG2 3.96Å; L554-V677 HydrophobicContact CG-CG2 4.4Å; A584-V677 HydrophobicContact CB-CG1 3.5Å; V675-V677 HydrophobicContact CB-CG1 4.3Å; V675-V677 HydrophobicContact CG2-CG1 4.02Å; V677-C681 HydrophobicContact CB-CB 4.39Å; V677-C681 HydrophobicContact CG2-CB 3.84Å; V677-L702 HydrophobicContact CG1-CD1 4.15Å
678	R	97.2	Very high	95.2	Very high	98 Å²	98	34.9 Å²	34.9	37%	0.37	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	146.4	166.3	-72.2	177.2	47.4	145.8	1.8	110.1	Y551 A579 D680 C681	Y551-R678 HydrophobicContact CD1-CB 4.43Å; Y551-R678 HydrophobicContact CD1-CG 3.83Å; Y551-R678 HydrophobicContact CE1-CB 4.5Å; Y551-R678 HydrophobicContact CE1-CG 3.45Å; Y551-R678 VanDerWaalsContact CE1-CG 3.45Å; A579-R678 PolarHBondContact O-NH1 2.8Å; R678-D680 WeakPolarHBondContact CB-OD1 3.41Å; R678-D680 IonicContact CZ-OD1 3.93Å; R678-D680 IonicContact CZ-OD2 3.35Å; R678-D680 IonicContact NE-OD1 3.52Å; R678-D680 PolarHBondContact NE-OD1 3.01Å; R678-D680 VanDerWaalsContact NE-OD1 3.12Å; R678-D680 IonicContact NE-OD2 2.96Å; R678-D680 IonicContact NH2-OD1 3.9Å; R678-D680 IonicContact NH2-OD2 2.81Å; R678-D680 PolarHBondContact NH2-OD2 3.08Å; R678-D680 PolarHBondContact O-N 3.06Å; R678-C681 WeakPolarHBondContact O-CB 3.37Å; R678-C681 PolarHBondContact O-N 2.81Å; R678-C681 VanDerWaalsContact O-N 3.15Å
679	R	96.5	Very high	95.3	Very high	112 Å²	112	30 Å²	30	42%	0.423	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-24	-176	-175.7	-178.8	59.3	83.6	5.9	113.4	A547 T549 P550 V552 C681	A547-R679 WeakPolarHBondContact O-CD 3.24Å; T549-R679 WeakPolarHBondContact O-CD 3.41Å; T549-R679 PolarHBondContact O-NE 3.15Å; P550-R679 WeakPolarHBondContact O-CB 3.46Å; P550-R679 PolarHBondContact O-N 3.16Å; V552-R679 HydrophobicContact CG1-CB 3.99Å; V552-R679 HydrophobicContact CG1-CG 3.93Å; R679-C681 PolarHBondContact O-N 3.02Å
680	D	94.4	Very high	95.6	Very high	107 Å²	107	29 Å²	29	57%	0.572	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.1	17.9	174.7	60.3	-13.5	0	0	0	113.7	R678	R678-D680 WeakPolarHBondContact CB-OD1 3.41Å; R678-D680 IonicContact CZ-OD1 3.93Å; R678-D680 IonicContact CZ-OD2 3.35Å; R678-D680 IonicContact NE-OD1 3.52Å; R678-D680 PolarHBondContact NE-OD1 3.01Å; R678-D680 VanDerWaalsContact NE-OD1 3.12Å; R678-D680 IonicContact NE-OD2 2.96Å; R678-D680 IonicContact NH2-OD1 3.9Å; R678-D680 IonicContact NH2-OD2 2.81Å; R678-D680 PolarHBondContact NH2-OD2 3.08Å; R678-D680 PolarHBondContact O-N 3.06Å
681	C	95.9	Very high	95.7	Very high	12 Å²	12	32.1 Å²	32.1	8%	0.081	15%	0.149	C	C	.	.	S	Bend	trans	-60.9	158.8	169	69.6	0	0	0	0	111.9	V677 R678 R679 L702	V677-C681 HydrophobicContact CB-CB 4.39Å; V677-C681 HydrophobicContact CG2-CB 3.84Å; R678-C681 WeakPolarHBondContact O-CB 3.37Å; R678-C681 PolarHBondContact O-N 2.81Å; R678-C681 VanDerWaalsContact O-N 3.15Å; R679-C681 PolarHBondContact O-N 3.02Å; C681-L702 HydrophobicContact CB-CD2 4.22Å
682	P	96.4	Very high	95.5	Very high	16 Å²	16	32.7 Å²	32.7	10%	0.104	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-54.9	149.8	172.6	24	-35.5	0	0	0	112.1	H698 E701 L702	P682-H698 PolarHBondContact O-CD2 2.67Å; P682-H698 PolarHBondContact O-NE2 3.41Å; P682-H698 VanDerWaalsContact O-NE2 3.09Å; P682-E701 HydrophobicContact CB-CG 4.03Å; P682-E701 HydrophobicContact CG-CB 4.44Å; P682-E701 HydrophobicContact CG-CG 4.03Å; P682-L702 HydrophobicContact CG-CD2 3.85Å; P682-L702 HydrophobicContact CG-CG 4.35Å
683	E	97.1	Very high	95.5	Very high	81 Å²	81	32.2 Å²	32.2	38%	0.379	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-72.6	157.7	168.8	-72.2	-178.5	-148.5	0	0	110.8	K545	K545-E683 WeakPolarHBondContact CE-OE1 3.49Å; K545-E683 WeakPolarHBondContact CE-OE2 3.4Å; K545-E683 IonicContact NZ-OE1 3.62Å; K545-E683 PolarHBondContact NZ-OE1 3.32Å; K545-E683 IonicContact NZ-OE2 3.09Å; K545-E683 PolarHBondContact NZ-OE2 3.15Å
684	Y	97.6	Very high	95.3	Very high	12 Å²	12	32.9 Å²	32.9	5%	0.047	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-67.5	133.2	170.5	-68.3	-96	0	0	0	110.6	R540 N541 L554 Q686 K695 H698	R540-Y684 HydrophobicContact CB-CD2 3.72Å; R540-Y684 HydrophobicContact CB-CE2 3.93Å; R540-Y684 HydrophobicContact CB-CG 4.21Å; R540-Y684 HydrophobicContact CG-CE2 4.46Å; N541-Y684 PolarHBondContact ND2-O 3.06Å; N541-Y684 WeakPolarHBondContact OD1-CD2 3.37Å; N541-Y684 PolarHBondContact OD1-N 3.16Å; L554-Y684 WeakPolarHBondContact CB-OH 3.46Å; L554-Y684 HydrophobicContact CD1-CE2 4.39Å; Y684-Q686 PolarHBondContact O-N 3.15Å; Y684-K695 HydrophobicContact CE1-CB 4.3Å; Y684-K695 HydrophobicContact CE1-CG 4.03Å; Y684-H698 HydrophobicContact CD1-CB 3.52Å; Y684-H698 AromaticContact CD1-CG 3.84Å; Y684-H698 HydrophobicContact CE1-CB 3.62Å; Y684-H698 AromaticContact CE1-CG 3.66Å; Y684-H698 HydrophobicContact CG-CB 4.25Å; Y684-H698 AromaticContact CZ-CG 3.97Å
685	D	97.1	Very high	95.1	Very high	29 Å²	29	33.3 Å²	33.3	16%	0.155	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-66.8	120	179.2	-169.3	-46.2	0	0	0	110.7	N537 R687 F688 F748	N537-D685 WeakPolarHBondContact CB-O 3.44Å; N537-D685 PolarHBondContact ND2-O 2.84Å; D685-R687 VanDerWaalsContact C-N 3.26Å; D685-R687 VanDerWaalsContact CG-NE 3.3Å; D685-R687 PolarHBondContact O-N 3.28Å; D685-R687 VanDerWaalsContact OD1-CB 3.3Å; D685-R687 WeakPolarHBondContact OD1-CB 3.46Å; D685-R687 WeakPolarHBondContact OD1-CG 3.35Å; D685-R687 PolarHBondContact OD1-N 2.85Å; D685-R687 IonicContact OD1-NE 2.98Å; D685-R687 PolarHBondContact OD1-NE 3.4Å; D685-R687 VanDerWaalsContact OD1-NE 3.09Å; D685-R687 IonicContact OD2-CZ 3.53Å; D685-R687 IonicContact OD2-NE 2.75Å; D685-R687 PolarHBondContact OD2-NE 3.41Å; D685-R687 IonicContact OD2-NH2 3.53Å; D685-R687 PolarHBondContact OD2-NH2 3.05Å; D685-F688 HydrophobicContact CB-CD2 4.16Å; D685-F688 HydrophobicContact CB-CE2 4.35Å; D685-F688 PolarHBondContact O-N 3.3Å; D685-F748 HydrophobicContact CB-CD2 4.32Å; D685-F748 HydrophobicContact CB-CE2 4.04Å; D685-F748 WeakPolarHBondContact OD2-CD2 3.46Å
686	Q	95.9	Very high	94.9	Very high	62 Å²	62	33.4 Å²	33.4	29%	0.29	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-5.4	-172.6	-59.8	-177.3	30.6	0	0	113.6	N541 Y684 F688	N541-Q686 PolarHBondContact ND2-NE2 3.01Å; Y684-Q686 PolarHBondContact O-N 3.15Å; Q686-F688 PolarHBondContact O-N 3.36Å
687	R	95.3	Very high	94.8	Very high	15 Å²	15	33.4 Å²	33.4	6%	0.057	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.2	172	83.8	-175.1	70.2	-166.6	4.7	112.3	D685 V689 L744 D751	D685-R687 VanDerWaalsContact C-N 3.26Å; D685-R687 VanDerWaalsContact CG-NE 3.3Å; D685-R687 PolarHBondContact O-N 3.28Å; D685-R687 VanDerWaalsContact OD1-CB 3.3Å; D685-R687 WeakPolarHBondContact OD1-CB 3.46Å; D685-R687 WeakPolarHBondContact OD1-CG 3.35Å; D685-R687 PolarHBondContact OD1-N 2.85Å; D685-R687 IonicContact OD1-NE 2.98Å; D685-R687 PolarHBondContact OD1-NE 3.4Å; D685-R687 VanDerWaalsContact OD1-NE 3.09Å; D685-R687 IonicContact OD2-CZ 3.53Å; D685-R687 IonicContact OD2-NE 2.75Å; D685-R687 PolarHBondContact OD2-NE 3.41Å; D685-R687 IonicContact OD2-NH2 3.53Å; D685-R687 PolarHBondContact OD2-NH2 3.05Å; R687-V689 PolarHBondContact O-N 2.85Å; R687-L744 HydrophobicContact CG-CB 4.49Å; R687-D751 IonicContact CZ-OD2 3.8Å; R687-D751 IonicContact NH1-OD2 2.68Å; R687-D751 PolarHBondContact NH1-OD2 2.82Å; R687-D751 IonicContact NH2-OD2 3.88Å; R687-D751 PolarHBondContact NH2-OD2 2.9Å
688	F	95.8	Very high	94.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.158	C	C	.	.			trans	-89	90.5	178.9	-59.1	-69.6	0	0	0	110.5	D685 Q686 W693 S697 L741 L744 K745 F748	D685-F688 HydrophobicContact CB-CD2 4.16Å; D685-F688 HydrophobicContact CB-CE2 4.35Å; D685-F688 PolarHBondContact O-N 3.3Å; Q686-F688 PolarHBondContact O-N 3.36Å; F688-W693 HydrophobicContact CD1-CB 3.95Å; F688-W693 HydrophobicContact CE1-CB 4Å; F688-W693 HydrophobicContact CE1-CE3 4.37Å; F688-W693 HydrophobicContact CZ-CE3 4.08Å; F688-S697 WeakPolarHBondContact CD2-OG 3.49Å; F688-L741 HydrophobicContact CD1-CD1 3.86Å; F688-L741 HydrophobicContact CE1-CD1 4.24Å; F688-L744 HydrophobicContact CE1-CB 3.97Å; F688-K745 HydrophobicContact CE1-CG 4.3Å; F688-F748 HydrophobicContact CE2-CB 4.16Å; F688-F748 HydrophobicContact CE2-CD1 4.47Å; F688-F748 HydrophobicContact CE2-CD2 4.09Å; F688-F748 AromaticContact CE2-CG 3.98Å; F688-F748 HydrophobicContact CE2-CG 3.98Å; F688-F748 HydrophobicContact CZ-CB 3.89Å; F688-F748 HydrophobicContact CZ-CG 4.14Å
689	V	93.8	Very high	94.7	Very high	6 Å²	6	28.9 Å²	28.9	4%	0.036	14%	0.141	C	C	.	.			trans	-98	155	173.3	-60.3	0	0	0	0	111.5	F439 E442 F533 R687 Y737	F439-V689 HydrophobicContact CD1-CG2 3.47Å; F439-V689 VanDerWaalsContact CD1-CG2 3.47Å; F439-V689 HydrophobicContact CE1-CG2 3.91Å; F439-V689 HydrophobicContact CG-CG2 4.07Å; E442-V689 HydrophobicContact CB-CG1 4.32Å; E442-V689 HydrophobicContact CB-CG2 4.26Å; E442-V689 HydrophobicContact CG-CB 4.31Å; E442-V689 HydrophobicContact CG-CG1 3.97Å; E442-V689 HydrophobicContact CG-CG2 4.28Å; F533-V689 HydrophobicContact CB-CB 4.05Å; F533-V689 HydrophobicContact CB-CG2 3.96Å; F533-V689 HydrophobicContact CD2-CG2 3.87Å; F533-V689 HydrophobicContact CG-CG2 3.92Å; R687-V689 PolarHBondContact O-N 2.85Å; V689-Y737 PolarHBondContact O-OH 2.95Å; V689-Y737 VanDerWaalsContact O-OH 3.05Å
690	G	91.7	Very high	94.6	Very high	7 Å²	7	23.6 Å²	23.6	7%	0.072	12%	0.121	C	C	.	.	S	Bend	trans	67.5	-130.3	-178.2	0	0	0	0	0	113.3	Y534	Y534-G690 WeakPolarHBondContact O-CA 3.48Å; Y534-G690 PolarHBondContact O-N 2.98Å
691	F	90.4	Very high	94.7	Very high	74 Å²	74	19.3 Å²	19.3	33%	0.325	10%	0.097	S	C	.	.	S	Bend	trans	-105.9	129.4	-172.7	-176.8	-89.3	0	0	0	113.1	D727 I728 F731 Y737	F691-D727 HydrophobicContact CB-CB 4.02Å; F691-I728 HydrophobicContact CD1-CG1 4.19Å; F691-I728 HydrophobicContact CD2-CB 3.95Å; F691-I728 HydrophobicContact CD2-CD1 4.31Å; F691-I728 HydrophobicContact CD2-CG1 3.93Å; F691-I728 HydrophobicContact CE1-CG1 4.07Å; F691-I728 HydrophobicContact CE2-CB 4.29Å; F691-I728 HydrophobicContact CE2-CD1 3.76Å; F691-I728 HydrophobicContact CE2-CG1 3.8Å; F691-I728 HydrophobicContact CG-CB 4.15Å; F691-I728 HydrophobicContact CG-CG1 4.12Å; F691-I728 HydrophobicContact CZ-CD1 3.91Å; F691-I728 HydrophobicContact CZ-CG1 3.88Å; F691-F731 HydrophobicContact CB-CB 4.44Å; F691-F731 HydrophobicContact CD1-CB 3.93Å; F691-F731 AromaticContact CD1-CD1 3.89Å; F691-F731 HydrophobicContact CD1-CD1 3.89Å; F691-F731 HydrophobicContact CD1-CD2 4.17Å; F691-F731 HydrophobicContact CD1-CE1 4.47Å; F691-F731 AromaticContact CD1-CG 3.72Å; F691-F731 HydrophobicContact CD1-CG 3.72Å; F691-F731 AromaticContact CE1-CD1 3.98Å; F691-F731 HydrophobicContact CE1-CD1 3.98Å; F691-F731 HydrophobicContact CE1-CE1 4.23Å; F691-F731 HydrophobicContact CE1-CG 4.27Å; F691-Y737 PolarHBondContact N-OH 3.13Å; F691-Y737 WeakPolarHBondContact O-CE1 3.45Å; F691-Y737 PolarHBondContact O-OH 3.4Å; F691-Y737 VanDerWaalsContact O-OH 3.04Å
692	G	90.2	Very high	94.7	Very high	13 Å²	13	18.7 Å²	18.7	13%	0.134	9%	0.093	C	C	.	.	S	Bend	trans	108.7	141.3	171	0	0	0	0	0	113.1	N694	G692-N694 PolarHBondContact O-N 3.12Å
693	W	91.4	Very high	94.7	Very high	21 Å²	21	18.6 Å²	18.6	8%	0.08	9%	0.092	C	C	.	.	S	Bend	trans	55.5	13.2	174.9	-96.5	58.8	0	0	0	117.2	D670 F688 V696 S697 M700 L741 K745 F748 H749	D670-W693 PolarHBondContact OD1-NE1 3.01Å; F688-W693 HydrophobicContact CD1-CB 3.95Å; F688-W693 HydrophobicContact CE1-CB 4Å; F688-W693 HydrophobicContact CE1-CE3 4.37Å; F688-W693 HydrophobicContact CZ-CE3 4.08Å; W693-V696 HydrophobicContact CD2-CB 4.38Å; W693-V696 HydrophobicContact CD2-CG1 4.05Å; W693-V696 HydrophobicContact CE3-CG1 4.34Å; W693-V696 HydrophobicContact CG-CB 4.41Å; W693-V696 HydrophobicContact CZ2-CG1 4.22Å; W693-S697 WeakPolarHBondContact O-CB 3.15Å; W693-S697 PolarHBondContact O-N 2.77Å; W693-S697 PolarHBondContact O-OG 3.08Å; W693-M700 HydrophobicContact CH2-CE 3.33Å; W693-M700 HydrophobicContact CZ2-CE 4.21Å; W693-M700 HydrophobicContact CZ3-CE 3.56Å; W693-L741 HydrophobicContact CB-CD1 4.23Å; W693-K745 VanDerWaalsContact CD1-NZ 3.33Å; W693-K745 HydrophobicContact CD2-CD 3.61Å; W693-K745 HydrophobicContact CD2-CG 3.49Å; W693-K745 VanDerWaalsContact CD2-CG 3.49Å; W693-K745 VanDerWaalsContact CE2-CD 3.43Å; W693-K745 HydrophobicContact CE3-CB 4.2Å; W693-K745 HydrophobicContact CE3-CD 4.12Å; W693-K745 HydrophobicContact CE3-CG 3.54Å; W693-K745 HydrophobicContact CG-CD 3.97Å; W693-K745 HydrophobicContact CG-CG 3.97Å; W693-K745 HydrophobicContact CH2-CB 4.24Å; W693-K745 HydrophobicContact CH2-CD 4.18Å; W693-K745 HydrophobicContact CH2-CG 4.13Å; W693-K745 HydrophobicContact CZ2-CD 3.75Å; W693-K745 HydrophobicContact CZ2-CG 4.16Å; W693-K745 HydrophobicContact CZ3-CB 4.03Å; W693-K745 HydrophobicContact CZ3-CD 4.36Å; W693-K745 HydrophobicContact CZ3-CG 3.85Å; W693-K745 VanDerWaalsContact NE1-NZ 3.15Å; W693-F748 HydrophobicContact CZ3-CD1 4.25Å; W693-H749 AromaticContact CH2-CE1 3.71Å; W693-H749 AromaticContact CH2-NE2 3.25Å; W693-H749 WeakPolarHBondContact CH2-NE2 3.3Å; W693-H749 AromaticContact CZ3-NE2 3.72Å
694	N	91.8	Very high	94.6	Very high	18 Å²	18	14.9 Å²	14.9	10%	0.096	8%	0.075	C	C	.	.	H	α-helix	trans	-71.4	-55.4	-177.5	56.6	60.3	0	0	0	113.1	V536 N537 R540 G692 S697	V536-N694 HydrophobicContact CG1-CB 3.61Å; N537-N694 PolarHBondContact ND2-O 2.93Å; N537-N694 VanDerWaalsContact ND2-O 3.15Å; N537-N694 WeakPolarHBondContact OD1-CB 3.47Å; R540-N694 PolarHBondContact NH1-OD1 3.45Å; G692-N694 PolarHBondContact O-N 3.12Å; N694-S697 PolarHBondContact O-OG 3.41Å
695	K	92.7	Very high	94.4	Very high	14 Å²	14	16.3 Å²	16.3	6%	0.061	8%	0.082	C	C	.	.	H	α-helix	trans	-84.8	-28.6	174.7	-55.3	173.2	-69	-176.2	0	112.5	R540 D556 E672 Y674 Y684 S697 H698 I699	R540-K695 VanDerWaalsContact CZ-CG 3.43Å; D556-K695 IonicContact OD2-NZ 2.68Å; D556-K695 PolarHBondContact OD2-NZ 3.32Å; E672-K695 HydrophobicContact CG-CB 3.68Å; E672-K695 HydrophobicContact CG-CD 4.49Å; E672-K695 WeakPolarHBondContact OE1-CB 3.32Å; E672-K695 WeakPolarHBondContact OE1-CE 3.36Å; E672-K695 IonicContact OE1-NZ 3.68Å; Y674-K695 VanDerWaalsContact CZ-NZ 3.31Å; Y674-K695 PolarHBondContact OH-NZ 3.1Å; Y684-K695 HydrophobicContact CE1-CB 4.3Å; Y684-K695 HydrophobicContact CE1-CG 4.03Å; K695-S697 VanDerWaalsContact C-N 3.28Å; K695-S697 PolarHBondContact O-N 2.82Å; K695-H698 WeakPolarHBondContact O-CB 3.44Å; K695-H698 PolarHBondContact O-N 3.18Å; K695-H698 VanDerWaalsContact O-N 3.08Å; K695-I699 WeakPolarHBondContact O-CG1 3.34Å; K695-I699 PolarHBondContact O-N 3.23Å
696	V	94.9	Very high	94.3	Very high	4 Å²	4	21.7 Å²	21.7	2%	0.024	11%	0.106	C	C	.	.	H	α-helix	trans	-53.5	-46.5	177.2	175	0	0	0	0	111.1	E672 W693 H698 I699 M700	E672-V696 HydrophobicContact CB-CG2 3.97Å; E672-V696 HydrophobicContact CG-CG2 3.92Å; W693-V696 HydrophobicContact CD2-CB 4.38Å; W693-V696 HydrophobicContact CD2-CG1 4.05Å; W693-V696 HydrophobicContact CE3-CG1 4.34Å; W693-V696 HydrophobicContact CG-CB 4.41Å; W693-V696 HydrophobicContact CZ2-CG1 4.22Å; V696-H698 PolarHBondContact O-N 2.9Å; V696-I699 PolarHBondContact O-N 3.17Å; V696-M700 HydrophobicContact CG1-CE 4.33Å; V696-M700 WeakPolarHBondContact O-CB 3.25Å; V696-M700 PolarHBondContact O-N 3.45Å
697	S	95.6	Very high	94.4	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.097	C	C	.	.	H	α-helix	trans	-60.2	-42.3	177.2	49.9	0	0	0	0	112.6	F688 W693 N694 K695 M700 E701 F748	F688-S697 WeakPolarHBondContact CD2-OG 3.49Å; W693-S697 WeakPolarHBondContact O-CB 3.15Å; W693-S697 PolarHBondContact O-N 2.77Å; W693-S697 PolarHBondContact O-OG 3.08Å; N694-S697 PolarHBondContact O-OG 3.41Å; K695-S697 VanDerWaalsContact C-N 3.28Å; K695-S697 PolarHBondContact O-N 2.82Å; S697-M700 WeakPolarHBondContact O-CB 3.01Å; S697-M700 PolarHBondContact O-N 2.87Å; S697-E701 PolarHBondContact O-N 3.32Å; S697-F748 WeakPolarHBondContact O-CZ 3.28Å
698	H	96.9	Very high	94.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.109	C	C	.	.	H	α-helix	trans	-63.9	-44.5	176.7	176.5	-86.2	0	0	0	112.7	L554 P682 Y684 K695 V696 M700 E701 L702	L554-H698 WeakPolarHBondContact CD1-CE1 3.24Å; P682-H698 PolarHBondContact O-CD2 2.67Å; P682-H698 PolarHBondContact O-NE2 3.41Å; P682-H698 VanDerWaalsContact O-NE2 3.09Å; Y684-H698 HydrophobicContact CD1-CB 3.52Å; Y684-H698 AromaticContact CD1-CG 3.84Å; Y684-H698 HydrophobicContact CE1-CB 3.62Å; Y684-H698 AromaticContact CE1-CG 3.66Å; Y684-H698 HydrophobicContact CG-CB 4.25Å; Y684-H698 AromaticContact CZ-CG 3.97Å; K695-H698 WeakPolarHBondContact O-CB 3.44Å; K695-H698 PolarHBondContact O-N 3.18Å; K695-H698 VanDerWaalsContact O-N 3.08Å; V696-H698 PolarHBondContact O-N 2.9Å; H698-M700 VanDerWaalsContact C-N 3.33Å; H698-M700 PolarHBondContact O-N 3.04Å; H698-E701 PolarHBondContact O-N 3.18Å; H698-L702 PolarHBondContact O-N 3.08Å
699	I	96.6	Very high	94.6	Very high	2 Å²	2	22 Å²	22	1%	0.01	11%	0.11	C	C	.	.	H	α-helix	trans	-66	-38.5	177.3	-61.1	-61.2	0	0	0	111.2	F671 P673 V675 K695 V696 E701 L702 D703	F671-I699 HydrophobicContact CD1-CG2 4.39Å; P673-I699 HydrophobicContact CG-CD1 3.99Å; P673-I699 HydrophobicContact CG-CG1 4.21Å; P673-I699 HydrophobicContact CG-CG2 4.1Å; V675-I699 HydrophobicContact CG1-CD1 4.06Å; V675-I699 HydrophobicContact CG2-CD1 3.97Å; K695-I699 WeakPolarHBondContact O-CG1 3.34Å; K695-I699 PolarHBondContact O-N 3.23Å; V696-I699 PolarHBondContact O-N 3.17Å; I699-E701 VanDerWaalsContact C-N 3.32Å; I699-E701 PolarHBondContact O-N 3.01Å; I699-L702 HydrophobicContact CD1-CD1 4.13Å; I699-L702 WeakPolarHBondContact O-CB 3.46Å; I699-L702 PolarHBondContact O-N 2.87Å; I699-D703 PolarHBondContact O-N 3.27Å
700	M	95.6	Very high	94.8	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	11%	0.114	C	C	.	.	H	α-helix	trans	-61.4	-40.8	174	-168.9	-178.1	-52.9	0	0	111.7	W667 W693 V696 S697 H698 D703 A704 F748 H749 L752 Y763	W667-M700 HydrophobicContact CH2-CE 4.46Å; W667-M700 HydrophobicContact CZ2-CE 3.88Å; W667-M700 HydrophobicContact CZ2-CG 4.11Å; W693-M700 HydrophobicContact CH2-CE 3.33Å; W693-M700 HydrophobicContact CZ2-CE 4.21Å; W693-M700 HydrophobicContact CZ3-CE 3.56Å; V696-M700 HydrophobicContact CG1-CE 4.33Å; V696-M700 WeakPolarHBondContact O-CB 3.25Å; V696-M700 PolarHBondContact O-N 3.45Å; S697-M700 WeakPolarHBondContact O-CB 3.01Å; S697-M700 PolarHBondContact O-N 2.87Å; H698-M700 VanDerWaalsContact C-N 3.33Å; H698-M700 PolarHBondContact O-N 3.04Å; M700-D703 PolarHBondContact O-N 3.35Å; M700-A704 WeakPolarHBondContact O-CB 3.45Å; M700-A704 PolarHBondContact O-N 3.1Å; M700-F748 HydrophobicContact CB-CE1 4.42Å; M700-F748 HydrophobicContact SD-CD1 4.38Å; M700-F748 HydrophobicContact SD-CE1 3.95Å; M700-H749 VanDerWaalsContact SD-CD2 3.59Å; M700-L752 HydrophobicContact CB-CD1 4.48Å; M700-L752 HydrophobicContact CG-CD1 3.8Å; M700-L752 HydrophobicContact SD-CD1 3.7Å; M700-Y763 HydrophobicContact CG-CD1 3.96Å; M700-Y763 HydrophobicContact CG-CD2 4.16Å; M700-Y763 HydrophobicContact CG-CE1 3.77Å; M700-Y763 HydrophobicContact CG-CE2 4Å; M700-Y763 HydrophobicContact CG-CG 4.16Å; M700-Y763 PolarHBondContact O-OH 3.38Å; M700-Y763 HydrophobicContact SD-CD1 4.14Å; M700-Y763 HydrophobicContact SD-CD2 4.21Å; M700-Y763 HydrophobicContact SD-CG 3.97Å
701	E	95.9	Very high	95.2	Very high	16 Å²	16	22.5 Å²	22.5	8%	0.075	11%	0.11	C	C	.	.	H	α-helix	trans	-67.5	-36.3	175.9	-174.1	163.6	-167.1	0	0	112.6	P682 S697 H698 I699 A704 Q705 L752 K755 Y756	P682-E701 HydrophobicContact CB-CG 4.03Å; P682-E701 HydrophobicContact CG-CB 4.44Å; P682-E701 HydrophobicContact CG-CG 4.03Å; S697-E701 PolarHBondContact O-N 3.32Å; H698-E701 PolarHBondContact O-N 3.18Å; I699-E701 VanDerWaalsContact C-N 3.32Å; I699-E701 PolarHBondContact O-N 3.01Å; E701-A704 PolarHBondContact O-N 3.44Å; E701-Q705 WeakPolarHBondContact O-CG 3.26Å; E701-Q705 PolarHBondContact O-N 3.21Å; E701-L752 HydrophobicContact CB-CD2 4.12Å; E701-L752 HydrophobicContact CG-CD2 4.04Å; E701-K755 IonicContact OE1-NZ 3.81Å; E701-K755 PolarHBondContact OE1-NZ 2.95Å; E701-Y756 HydrophobicContact CG-CE2 3.91Å; E701-Y756 PolarHBondContact OE1-OH 3.49Å
702	L	96.2	Very high	95.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-60.2	-46.1	171.9	-72.4	177.6	0	0	0	111.8	V675 V677 C681 P682 H698 I699 A704 Q705 E706 F707	V675-L702 HydrophobicContact CG2-CD1 4.23Å; V677-L702 HydrophobicContact CG1-CD1 4.15Å; C681-L702 HydrophobicContact CB-CD2 4.22Å; P682-L702 HydrophobicContact CG-CD2 3.85Å; P682-L702 HydrophobicContact CG-CG 4.35Å; H698-L702 PolarHBondContact O-N 3.08Å; I699-L702 HydrophobicContact CD1-CD1 4.13Å; I699-L702 WeakPolarHBondContact O-CB 3.46Å; I699-L702 PolarHBondContact O-N 2.87Å; L702-A704 VanDerWaalsContact C-N 3.33Å; L702-A704 PolarHBondContact O-N 3.22Å; L702-Q705 CarbonylContact O-C 3.58Å; L702-Q705 PolarHBondContact O-N 3.3Å; L702-E706 PolarHBondContact O-N 3.1Å; L702-F707 HydrophobicContact CB-CB 4.38Å; L702-F707 HydrophobicContact CB-CG 4.47Å; L702-F707 HydrophobicContact CD2-CD1 4.46Å; L702-F707 HydrophobicContact CD2-CD2 4.14Å; L702-F707 HydrophobicContact CD2-CE1 4.47Å; L702-F707 HydrophobicContact CD2-CE2 4.13Å; L702-F707 HydrophobicContact CD2-CG 4.3Å; L702-F707 HydrophobicContact CD2-CZ 4.3Å; L702-F707 WeakPolarHBondContact O-CB 3.31Å; L702-F707 VanDerWaalsContact O-CD2 3.31Å; L702-F707 WeakPolarHBondContact O-CD2 3.47Å; L702-F707 PolarHBondContact O-N 3.08Å; L702-F707 VanDerWaalsContact O-N 3.12Å
703	D	95.7	Very high	95.9	Very high	14 Å²	14	18.5 Å²	18.5	8%	0.075	9%	0.089	C	C	.	.	H	α-helix	trans	-65	-36.8	176.4	174.7	60.1	0	0	0	111.7	W667 I699 M700 Q705 E706 K762 Y763	W667-D703 HydrophobicContact CB-CB 4.06Å; W667-D703 WeakPolarHBondContact CB-OD1 3.37Å; W667-D703 WeakPolarHBondContact CB-OD2 3.49Å; W667-D703 HydrophobicContact CG-CB 3.97Å; I699-D703 PolarHBondContact O-N 3.27Å; M700-D703 PolarHBondContact O-N 3.35Å; D703-Q705 PolarHBondContact O-N 2.85Å; D703-E706 WeakPolarHBondContact O-CA 3.48Å; D703-E706 PolarHBondContact O-N 3.45Å; D703-K762 IonicContact OD1-NZ 3.7Å; D703-K762 PolarHBondContact OD1-NZ 3.16Å; D703-K762 WeakPolarHBondContact OD2-CE 3.46Å; D703-K762 IonicContact OD2-NZ 3.95Å; D703-K762 PolarHBondContact OD2-NZ 3.28Å; D703-Y763 VanDerWaalsContact CG-OH 3.28Å; D703-Y763 WeakPolarHBondContact OD2-CE1 3.22Å; D703-Y763 PolarHBondContact OD2-OH 2.94Å
704	A	95	Very high	96.1	Very high	2 Å²	2	20.8 Å²	20.8	2%	0.017	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-26.7	174.4	0	0	0	0	0	112.7	M700 E701 L702 L752 Y756 Y763	M700-A704 WeakPolarHBondContact O-CB 3.45Å; M700-A704 PolarHBondContact O-N 3.1Å; E701-A704 PolarHBondContact O-N 3.44Å; L702-A704 VanDerWaalsContact C-N 3.33Å; L702-A704 PolarHBondContact O-N 3.22Å; A704-L752 HydrophobicContact CB-CD2 4.44Å; A704-Y756 HydrophobicContact CB-CD2 3.72Å; A704-Y756 HydrophobicContact CB-CE2 4.17Å; A704-Y756 HydrophobicContact CB-CG 4.12Å; A704-Y763 WeakPolarHBondContact CA-OH 3.49Å; A704-Y763 HydrophobicContact CB-CE2 3.87Å; A704-Y763 PolarHBondContact N-OH 2.94Å
705	Q	94.8	Very high	96.4	Very high	42 Å²	42	20 Å²	20	20%	0.196	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.2	171.4	-70.7	-175.9	37.4	0	0	113.5	K582 E701 L702 D703 F707 Y756	K582-Q705 VanDerWaalsContact CD-O 3.28Å; K582-Q705 WeakPolarHBondContact CD-O 3.4Å; K582-Q705 PolarHBondContact NZ-O 2.96Å; E701-Q705 WeakPolarHBondContact O-CG 3.26Å; E701-Q705 PolarHBondContact O-N 3.21Å; L702-Q705 CarbonylContact O-C 3.58Å; L702-Q705 PolarHBondContact O-N 3.3Å; D703-Q705 PolarHBondContact O-N 2.85Å; Q705-F707 HydrophobicContact CB-CD2 3.83Å; Q705-F707 HydrophobicContact CB-CE2 3.94Å; Q705-Y756 HydrophobicContact CG-CD1 4.39Å; Q705-Y756 HydrophobicContact CG-CE1 3.56Å; Q705-Y756 PolarHBondContact NE2-OH 3.08Å
706	E	94.9	Very high	96.7	Very high	143 Å²	143	19.3 Å²	19.3	67%	0.668	10%	0.096	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	37.3	177.9	-52.9	179.2	118.1	0	0	113.5	L702 D703	L702-E706 PolarHBondContact O-N 3.1Å; D703-E706 WeakPolarHBondContact O-CA 3.48Å; D703-E706 PolarHBondContact O-N 3.45Å
707	F	96.9	Very high	96.8	Very high	24 Å²	24	19.1 Å²	19.1	11%	0.105	9%	0.094	C	C	.	.			trans	-72.5	133.4	170.1	-82.4	-108.7	0	0	0	111.6	K582 A584 L702 Q705 L709	K582-F707 HydrophobicContact CB-CD1 4.07Å; K582-F707 HydrophobicContact CB-CD2 4.18Å; K582-F707 HydrophobicContact CB-CE1 4.23Å; K582-F707 HydrophobicContact CB-CE2 4.35Å; K582-F707 HydrophobicContact CB-CG 4.05Å; K582-F707 HydrophobicContact CB-CZ 4.37Å; K582-F707 HydrophobicContact CD-CD2 4.26Å; K582-F707 HydrophobicContact CD-CE2 4.15Å; K582-F707 HydrophobicContact CG-CE2 4.36Å; K582-F707 HydrophobicContact CG-CZ 4.42Å; K582-F707 CarbonylContact O-C 3.5Å; K582-F707 WeakPolarHBondContact O-CA 3.37Å; A584-F707 HydrophobicContact CB-CB 4.43Å; A584-F707 HydrophobicContact CB-CD1 4.22Å; L702-F707 HydrophobicContact CB-CB 4.38Å; L702-F707 HydrophobicContact CB-CG 4.47Å; L702-F707 HydrophobicContact CD2-CD1 4.46Å; L702-F707 HydrophobicContact CD2-CD2 4.14Å; L702-F707 HydrophobicContact CD2-CE1 4.47Å; L702-F707 HydrophobicContact CD2-CE2 4.13Å; L702-F707 HydrophobicContact CD2-CG 4.3Å; L702-F707 HydrophobicContact CD2-CZ 4.3Å; L702-F707 WeakPolarHBondContact O-CB 3.31Å; L702-F707 VanDerWaalsContact O-CD2 3.31Å; L702-F707 WeakPolarHBondContact O-CD2 3.47Å; L702-F707 PolarHBondContact O-N 3.08Å; L702-F707 VanDerWaalsContact O-N 3.12Å; Q705-F707 HydrophobicContact CB-CD2 3.83Å; Q705-F707 HydrophobicContact CB-CE2 3.94Å; F707-L709 PolarHBondContact O-N 2.82Å
708	D	97.6	Very high	96.9	Very high	55 Å²	55	19 Å²	19	29%	0.294	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	117	168.2	-77	-27.6	0	0	0	110.2	K582 K583 A584 K664 M710	K582-D708 PolarHBondContact O-N 2.71Å; K583-D708 HydrophobicContact CG-CB 4.15Å; A584-D708 PolarHBondContact N-O 2.96Å; K664-D708 VanDerWaalsContact CE-OD1 3.3Å; K664-D708 WeakPolarHBondContact CE-OD1 3.38Å; K664-D708 IonicContact NZ-OD1 3.32Å; K664-D708 PolarHBondContact NZ-OD1 3.46Å; D708-M710 HydrophobicContact CB-CG 4.25Å; D708-M710 PolarHBondContact O-N 3.39Å
709	L	98.1	Very high	96.8	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	101.4	175.8	-62.6	164.4	0	0	0	109.4	A584 V586 K664 V665 W667 F671 F707	A584-L709 HydrophobicContact CB-CD2 4.03Å; V586-L709 HydrophobicContact CG2-CB 4.37Å; V586-L709 HydrophobicContact CG2-CD2 4.46Å; K664-L709 WeakPolarHBondContact CA-O 3.27Å; V665-L709 HydrophobicContact CG2-CB 3.89Å; V665-L709 PolarHBondContact N-O 3.29Å; W667-L709 HydrophobicContact CB-CD1 3.98Å; F671-L709 HydrophobicContact CD1-CD1 4.11Å; F671-L709 HydrophobicContact CE1-CD1 3.97Å; F707-L709 PolarHBondContact O-N 2.82Å
710	M	98.4	Very high	96.6	Very high	25 Å²	25	20.8 Å²	20.8	12%	0.123	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	108.3	-171.9	-66.8	-64.7	-70.6	0	0	111.2	K583 A584 L585 V586 P662 K664 D708 L712	K583-M710 HydrophobicContact CD-CG 4.25Å; K583-M710 HydrophobicContact CG-CG 4.3Å; A584-M710 PolarHBondContact O-N 3.12Å; L585-M710 CarbonylContact C-O 3.58Å; L585-M710 WeakPolarHBondContact CA-O 3.49Å; L585-M710 HydrophobicContact CD2-CB 4.07Å; V586-M710 PolarHBondContact N-O 3.18Å; P662-M710 HydrophobicContact CB-CE 4.2Å; K664-M710 HydrophobicContact CB-SD 3.76Å; K664-M710 HydrophobicContact CG-SD 4.44Å; D708-M710 HydrophobicContact CB-CG 4.25Å; D708-M710 PolarHBondContact O-N 3.39Å; M710-L712 PolarHBondContact O-N 2.9Å
711	V	98.6	Very high	96.2	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	125.5	178.7	-176.2	0	0	0	0	111	V586 P588 T651 P662 Y663 V665	V586-V711 HydrophobicContact CB-CG2 4.06Å; V586-V711 HydrophobicContact CG1-CG2 4.16Å; P588-V711 HydrophobicContact CG-CG1 3.65Å; T651-V711 HydrophobicContact CG2-CG1 4.12Å; T651-V711 HydrophobicContact CG2-CG2 4.35Å; P662-V711 VanDerWaalsContact CA-O 3.32Å; P662-V711 WeakPolarHBondContact CA-O 3.39Å; Y663-V711 HydrophobicContact CD1-CB 4.38Å; Y663-V711 HydrophobicContact CD2-CB 4.15Å; Y663-V711 HydrophobicContact CD2-CG2 4.39Å; Y663-V711 HydrophobicContact CE1-CB 3.95Å; Y663-V711 HydrophobicContact CE1-CG1 3.95Å; Y663-V711 HydrophobicContact CE2-CB 3.71Å; Y663-V711 HydrophobicContact CE2-CG1 4.19Å; Y663-V711 HydrophobicContact CE2-CG2 3.85Å; Y663-V711 HydrophobicContact CG-CB 4.48Å; Y663-V711 PolarHBondContact N-O 3.44Å; Y663-V711 PolarHBondContact O-N 3.25Å; Y663-V711 WeakPolarHBondContact OH-CG1 3.22Å; V665-V711 HydrophobicContact CB-CG2 4.45Å; V665-V711 HydrophobicContact CG1-CG2 3.6Å; V665-V711 HydrophobicContact CG2-CG2 3.96Å
712	L	98.6	Very high	95.8	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.12	C	C	.	.			trans	-82.3	127.2	178.6	-64.1	178.9	0	0	0	111.4	Y568 L569 L576 L585 V586 V587 W656 P662 M710 N714 A715	Y568-L712 HydrophobicContact CE1-CB 4.12Å; Y568-L712 HydrophobicContact CE1-CD1 3.98Å; Y568-L712 HydrophobicContact CE1-CG 4.48Å; L569-L712 HydrophobicContact CD2-CD1 3.47Å; L569-L712 VanDerWaalsContact CD2-CD1 3.47Å; L576-L712 HydrophobicContact CD1-CD2 4.02Å; L585-L712 HydrophobicContact CB-CD1 3.96Å; L585-L712 HydrophobicContact CB-CD2 4.33Å; L585-L712 HydrophobicContact CB-CG 4.12Å; L585-L712 HydrophobicContact CD1-CD1 4.39Å; L585-L712 HydrophobicContact CD1-CD2 4.42Å; V586-L712 PolarHBondContact O-N 3.43Å; V587-L712 HydrophobicContact CG2-CD1 4.39Å; W656-L712 PolarHBondContact NE1-O 3.13Å; P662-L712 HydrophobicContact CG-CD2 4.38Å; M710-L712 PolarHBondContact O-N 2.9Å; L712-N714 PolarHBondContact O-N 3.39Å; L712-A715 HydrophobicContact CB-CB 3.82Å; L712-A715 HydrophobicContact CD1-CB 4.12Å
713	P	97.3	Very high	95.2	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.013	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.1	-170.3	31.6	-37.7	0	0	0	113.3	Y568 K603 W656 A659 P662	Y568-P713 WeakPolarHBondContact OH-CD 3.32Å; K603-P713 WeakPolarHBondContact CD-O 3.48Å; K603-P713 WeakPolarHBondContact CE-O 3.46Å; K603-P713 PolarHBondContact NZ-O 3.39Å; W656-P713 PolarHBondContact NE1-O 2.93Å; A659-P713 HydrophobicContact CB-CB 4.04Å; A659-P713 WeakPolarHBondContact O-CB 3.49Å; P662-P713 HydrophobicContact CG-CG 4.38Å
714	N	96.4	Very high	94.4	Very high	70 Å²	70	29.8 Å²	29.8	37%	0.374	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.4	13.7	-174.1	-63.9	-44.5	0	0	0	113.1	Y568 L712	Y568-N714 HydrophobicContact CE2-CB 4.07Å; L712-N714 PolarHBondContact O-N 3.39Å
715	A	97.8	Very high	93.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.179	C	C	.	.			trans	-101.2	146.6	169.1	0	0	0	0	0	110.3	L565 Y568 V587 P588 W656 L712	L565-A715 HydrophobicContact CD1-CB 3.54Å; Y568-A715 HydrophobicContact CD1-CB 4.01Å; Y568-A715 HydrophobicContact CE1-CB 3.7Å; V587-A715 HydrophobicContact CG1-CB 4.15Å; V587-A715 HydrophobicContact CG2-CB 4.35Å; P588-A715 WeakPolarHBondContact CD-O 3.49Å; W656-A715 WeakPolarHBondContact CZ2-O 3.21Å; L712-A715 HydrophobicContact CB-CB 3.82Å; L712-A715 HydrophobicContact CD1-CB 4.12Å
716	F	97.9	Very high	93.1	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.			trans	-156.7	162.1	167	63.5	-89.8	0	0	0	111.1	M562 P588 F590 F599 P600 L606 W656 I718	M562-F716 HydrophobicContact CB-CD1 4.12Å; M562-F716 HydrophobicContact CB-CD2 4.04Å; M562-F716 HydrophobicContact CB-CE1 3.75Å; M562-F716 HydrophobicContact CB-CE2 3.65Å; M562-F716 HydrophobicContact CB-CG 4.26Å; M562-F716 HydrophobicContact CB-CZ 3.51Å; M562-F716 HydrophobicContact CE-CE1 4.49Å; M562-F716 HydrophobicContact CG-CD1 4.36Å; M562-F716 HydrophobicContact CG-CE1 4.29Å; M562-F716 PolarHBondContact N-O 3.43Å; M562-F716 VanDerWaalsContact N-O 3.1Å; M562-F716 HydrophobicContact SD-CD1 3.57Å; M562-F716 VanDerWaalsContact SD-CD1 3.57Å; M562-F716 HydrophobicContact SD-CE1 3.6Å; M562-F716 HydrophobicContact SD-CG 4.31Å; M562-F716 HydrophobicContact SD-CZ 4.36Å; P588-F716 WeakPolarHBondContact O-CA 3.39Å; F590-F716 HydrophobicContact CD2-CB 3.85Å; F590-F716 HydrophobicContact CE2-CB 3.61Å; F599-F716 AromaticContact CE1-CE2 3.94Å; F599-F716 HydrophobicContact CE1-CE2 3.94Å; F599-F716 HydrophobicContact CZ-CE2 4.33Å; P600-F716 HydrophobicContact CB-CZ 4.36Å; P600-F716 HydrophobicContact CG-CE2 3.83Å; P600-F716 HydrophobicContact CG-CZ 4.12Å; L606-F716 HydrophobicContact CB-CZ 4.48Å; L606-F716 HydrophobicContact CD1-CD2 3.82Å; L606-F716 HydrophobicContact CD1-CE2 3.93Å; L606-F716 HydrophobicContact CD1-CG 4.36Å; L606-F716 HydrophobicContact CD2-CB 4.12Å; L606-F716 HydrophobicContact CD2-CD1 4.11Å; L606-F716 HydrophobicContact CD2-CD2 4.18Å; L606-F716 HydrophobicContact CD2-CG 3.87Å; W656-F716 HydrophobicContact CH2-CB 4.47Å; W656-F716 HydrophobicContact CZ2-CB 4.33Å; F716-I718 HydrophobicContact CD2-CG1 4.24Å; F716-I718 HydrophobicContact CE2-CD1 4.31Å; F716-I718 HydrophobicContact CE2-CG1 4.45Å
717	M	97.7	Very high	92.4	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	155	170.6	63.5	-168.9	-23.9	0	0	110.6	F553 T555 F559 L560 V587 P588 A589 F590 Y674	F553-M717 HydrophobicContact CE1-CE 3.65Å; F553-M717 HydrophobicContact CE2-CE 4.19Å; F553-M717 HydrophobicContact CE2-SD 4.36Å; F553-M717 HydrophobicContact CZ-CE 3.24Å; F553-M717 HydrophobicContact CZ-SD 3.71Å; T555-M717 WeakPolarHBondContact OG1-CE 3.22Å; F559-M717 HydrophobicContact CB-CE 3.7Å; F559-M717 HydrophobicContact CB-SD 4.45Å; F559-M717 HydrophobicContact CD1-CB 4.49Å; F559-M717 HydrophobicContact CD1-CE 4.47Å; F559-M717 HydrophobicContact CD1-CG 3.83Å; F559-M717 HydrophobicContact CD1-SD 4.14Å; F559-M717 HydrophobicContact CG-CE 4.3Å; F559-M717 HydrophobicContact CG-SD 4.48Å; L560-M717 WeakPolarHBondContact O-CA 3.36Å; V587-M717 HydrophobicContact CG1-CB 4.37Å; V587-M717 HydrophobicContact CG1-CG 4.12Å; V587-M717 HydrophobicContact CG1-SD 4.08Å; P588-M717 PolarHBondContact O-N 3.26Å; A589-M717 HydrophobicContact CB-CG 4.33Å; F590-M717 PolarHBondContact N-O 3.23Å; Y674-M717 HydrophobicContact CD1-SD 4.32Å; Y674-M717 HydrophobicContact CD2-SD 3.88Å; Y674-M717 HydrophobicContact CG-SD 3.66Å
718	I	97.1	Very high	91.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	122.2	-174.9	-54.4	-177.7	0	0	0	110	F559 L560 F590 T592 L597 F599 P600 L606 L615 F716 M720	F559-I718 WeakPolarHBondContact CA-O 3.4Å; L560-I718 PolarHBondContact N-O 3.04Å; L560-I718 PolarHBondContact O-N 3Å; F590-I718 HydrophobicContact CB-CG1 4.44Å; F590-I718 CarbonylContact O-C 3.54Å; F590-I718 WeakPolarHBondContact O-CA 3.28Å; T592-I718 HydrophobicContact CG2-CG2 4.39Å; L597-I718 HydrophobicContact CD2-CD1 3.93Å; L597-I718 HydrophobicContact CD2-CG2 3.95Å; F599-I718 HydrophobicContact CD2-CD1 4.22Å; F599-I718 HydrophobicContact CE1-CD1 4.3Å; F599-I718 HydrophobicContact CE2-CB 3.89Å; F599-I718 HydrophobicContact CE2-CD1 3.75Å; F599-I718 HydrophobicContact CE2-CG1 3.96Å; F599-I718 HydrophobicContact CZ-CB 4.25Å; F599-I718 HydrophobicContact CZ-CD1 3.8Å; F599-I718 HydrophobicContact CZ-CG1 3.91Å; P600-I718 VanDerWaalsContact CD-CD1 3.49Å; P600-I718 HydrophobicContact CG-CD1 3.57Å; L606-I718 HydrophobicContact CD1-CD1 4.04Å; L606-I718 HydrophobicContact CD1-CG1 4.45Å; L615-I718 HydrophobicContact CD1-CD1 3.92Å; L615-I718 HydrophobicContact CD2-CD1 4.4Å; L615-I718 HydrophobicContact CD2-CG2 4.17Å; F716-I718 HydrophobicContact CD2-CG1 4.24Å; F716-I718 HydrophobicContact CE2-CD1 4.31Å; F716-I718 HydrophobicContact CE2-CG1 4.45Å; I718-M720 HydrophobicContact CG2-SD 4.34Å
719	H	95.1	Very high	91.1	Very high	15 Å²	15	30.7 Å²	30.7	7%	0.069	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	128.1	168.9	-175.1	-106.1	0	0	0	110.5	D558 F559 F590 E591 T592 F618 H722	D558-H719 WeakPolarHBondContact O-CA 3.36Å; F559-H719 HydrophobicContact CD1-CB 3.93Å; F559-H719 AromaticContact CD2-CD2 3.93Å; F559-H719 HydrophobicContact CE1-CB 3.49Å; F559-H719 VanDerWaalsContact CE1-CB 3.49Å; F559-H719 HydrophobicContact CE2-CB 4.28Å; F559-H719 AromaticContact CE2-CD2 3.37Å; F559-H719 WeakPolarHBondContact CE2-CD2 3.23Å; F559-H719 HydrophobicContact CZ-CB 3.67Å; F559-H719 AromaticContact CZ-CD2 3.54Å; F559-H719 AromaticContact CZ-CG 3.87Å; F590-H719 WeakPolarHBondContact O-CB 3.22Å; F590-H719 PolarHBondContact O-N 3.12Å; E591-H719 HydrophobicContact CB-CB 4Å; T592-H719 PolarHBondContact N-O 3.03Å; F618-H719 HydrophobicContact CD2-CB 3.88Å; F618-H719 HydrophobicContact CE2-CB 3.83Å; F618-H719 AromaticContact CE2-CG 3.62Å; F618-H719 AromaticContact CE2-ND1 3.9Å; H719-H722 AromaticContact CE1-CD2 3.39Å; H719-H722 PolarHBondContact CE1-CD2 2.89Å; H719-H722 AromaticContact CE1-NE2 3.25Å; H719-H722 PolarHBondContact CE1-NE2 2.9Å; H719-H722 VanDerWaalsContact CE1-NE2 3.25Å; H719-H722 AromaticContact NE2-CD2 3.13Å; H719-H722 PolarHBondContact NE2-CD2 2.91Å; H719-H722 AromaticContact NE2-NE2 2.9Å; H719-H722 PolarHBondContact NE2-NE2 2.76Å
720	M	92.6	Very high	90.4	Very high	24 Å²	24	32.7 Å²	32.7	12%	0.118	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-97.4	140.7	178.2	-61.6	-55.8	-65.8	0	0	110.9	M480 D558 L560 T592 L597 I718 H722	M480-M720 HydrophobicContact CE-CB 3.92Å; M480-M720 HydrophobicContact CE-CG 3.79Å; M480-M720 HydrophobicContact SD-CB 4.22Å; D558-M720 PolarHBondContact O-N 3.12Å; L560-M720 HydrophobicContact CD1-CG 3.79Å; L560-M720 HydrophobicContact CD1-SD 4.01Å; L560-M720 HydrophobicContact CG-CG 3.91Å; T592-M720 HydrophobicContact CG2-CE 4.22Å; T592-M720 HydrophobicContact CG2-SD 4.01Å; L597-M720 HydrophobicContact CB-CE 4.37Å; L597-M720 HydrophobicContact CD2-SD 4.48Å; I718-M720 HydrophobicContact CG2-SD 4.34Å; M720-H722 PolarHBondContact O-CD2 3.14Å; M720-H722 PolarHBondContact O-N 3.33Å
721	P	88.2	Confident	89.9	Confident	29 Å²	29	34.1 Å²	34.1	19%	0.188	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-56.3	134.9	177.8	-26.5	31.1	0	0	0	112.8	T592 Y595	T592-P721 HydrophobicContact CG2-CG 4.23Å; T592-P721 WeakPolarHBondContact O-CD 3.26Å; T592-P721 VanDerWaalsContact O-CG 3.23Å; T592-P721 WeakPolarHBondContact O-CG 3.04Å; Y595-P721 HydrophobicContact CD1-CB 3.97Å; Y595-P721 HydrophobicContact CE1-CB 3.79Å
722	H	86.9	Confident	89.1	Confident	57 Å²	57	38.7 Å²	38.7	26%	0.264	21%	0.207	S	C	.	.			trans	-148.5	161.9	178.8	64.9	68.6	0	0	0	111.8	R477 D558 H719 M720	R477-H722 VanDerWaalsContact CZ-CB 3.44Å; R477-H722 VanDerWaalsContact NH2-CG 3.34Å; R477-H722 PolarHBondContact NH2-ND1 3.45Å; D558-H722 IonicContact OD1-CD2 3.56Å; D558-H722 IonicContact OD2-CD2 3.83Å; D558-H722 PolarHBondContact OD2-CD2 3.07Å; D558-H722 IonicContact OD2-CE1 3.06Å; D558-H722 IonicContact OD2-CG 2.67Å; D558-H722 IonicContact OD2-NE2 3.16Å; D558-H722 PolarHBondContact OD2-NE2 2.87Å; H719-H722 AromaticContact CE1-CD2 3.39Å; H719-H722 PolarHBondContact CE1-CD2 2.89Å; H719-H722 AromaticContact CE1-NE2 3.25Å; H719-H722 PolarHBondContact CE1-NE2 2.9Å; H719-H722 VanDerWaalsContact CE1-NE2 3.25Å; H719-H722 AromaticContact NE2-CD2 3.13Å; H719-H722 PolarHBondContact NE2-CD2 2.91Å; H719-H722 AromaticContact NE2-NE2 2.9Å; H719-H722 PolarHBondContact NE2-NE2 2.76Å; M720-H722 PolarHBondContact O-CD2 3.14Å; M720-H722 PolarHBondContact O-N 3.33Å
723	A	83.1	Confident	88.6	Confident	60 Å²	60	43.4 Å²	43.4	50%	0.496	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-66	149.4	176.7	0	0	0	0	0	111.4	R477	R477-A723 PolarHBondContact NH2-O 2.88Å
724	P	79.2	Confident	88.2	Confident	75 Å²	75	45.3 Å²	45.3	49%	0.487	25%	0.254	S	S	.	.	P	Polyproline II helix	trans	-63.3	148.4	173.9	-12.9	26.5	0	0	0	111.2	I728	P724-I728 HydrophobicContact CB-CG2 3.79Å
725	S	80.4	Confident	87.9	Confident	50 Å²	50	45.4 Å²	45.4	35%	0.35	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-74.2	169.4	174	64.2	0	0	0	0	112	I728 S729	S725-I728 VanDerWaalsContact O-CG2 3.24Å; S725-I728 WeakPolarHBondContact O-CG2 3.23Å; S725-I728 PolarHBondContact OG-N 3.32Å; S725-S729 PolarHBondContact O-OG 3.18Å
726	F	81.7	Confident	87.5	Confident	152 Å²	152	48 Å²	48	67%	0.667	28%	0.278	S	S	*	.	H	α-helix	trans	-70.4	-39.6	172.2	-172.2	-116.5	0	0	0	111.8	I728 S729 K730	F726-I728 VanDerWaalsContact C-N 3.35Å; F726-I728 PolarHBondContact O-N 2.82Å; F726-S729 WeakPolarHBondContact O-CA 3.48Å; F726-S729 VanDerWaalsContact O-CB 3.25Å; F726-S729 WeakPolarHBondContact O-CB 3.47Å; F726-S729 PolarHBondContact O-N 3.37Å; F726-K730 HydrophobicContact CD1-CD 4.37Å; F726-K730 HydrophobicContact CD1-CG 4.33Å; F726-K730 HydrophobicContact CE1-CD 4.2Å; F726-K730 HydrophobicContact CE1-CG 4.16Å; F726-K730 PolarHBondContact O-N 3.01Å
727	D	81.6	Confident	87.2	Confident	13 Å²	13	48.6 Å²	48.6	7%	0.07	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-31.2	-177.7	-68.9	-45.3	0	0	0	113.7	Y534 F691 S729 K730 F731	Y534-D727 WeakPolarHBondContact CB-OD2 3.43Å; Y534-D727 PolarHBondContact N-OD2 3.31Å; Y534-D727 VanDerWaalsContact N-OD2 3.17Å; F691-D727 HydrophobicContact CB-CB 4.02Å; D727-S729 PolarHBondContact O-N 3.3Å; D727-K730 PolarHBondContact O-N 3.44Å; D727-F731 WeakPolarHBondContact O-CB 3.4Å; D727-F731 PolarHBondContact O-N 3.24Å
728	I	82.9	Confident	87	Confident	15 Å²	15	53.8 Å²	53.8	8%	0.077	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-31.6	171.8	-159.3	176	0	0	0	111	F691 P724 S725 F726 R732	F691-I728 HydrophobicContact CD1-CG1 4.19Å; F691-I728 HydrophobicContact CD2-CB 3.95Å; F691-I728 HydrophobicContact CD2-CD1 4.31Å; F691-I728 HydrophobicContact CD2-CG1 3.93Å; F691-I728 HydrophobicContact CE1-CG1 4.07Å; F691-I728 HydrophobicContact CE2-CB 4.29Å; F691-I728 HydrophobicContact CE2-CD1 3.76Å; F691-I728 HydrophobicContact CE2-CG1 3.8Å; F691-I728 HydrophobicContact CG-CB 4.15Å; F691-I728 HydrophobicContact CG-CG1 4.12Å; F691-I728 HydrophobicContact CZ-CD1 3.91Å; F691-I728 HydrophobicContact CZ-CG1 3.88Å; P724-I728 HydrophobicContact CB-CG2 3.79Å; S725-I728 VanDerWaalsContact O-CG2 3.24Å; S725-I728 WeakPolarHBondContact O-CG2 3.23Å; S725-I728 PolarHBondContact OG-N 3.32Å; F726-I728 VanDerWaalsContact C-N 3.35Å; F726-I728 PolarHBondContact O-N 2.82Å; I728-R732 WeakPolarHBondContact O-CB 3.42Å; I728-R732 WeakPolarHBondContact O-CD 3.46Å; I728-R732 WeakPolarHBondContact O-CG 3.36Å; I728-R732 PolarHBondContact O-N 3.35Å; I728-R732 VanDerWaalsContact O-N 3.08Å
729	S	82.6	Confident	86.8	Confident	55 Å²	55	57.7 Å²	57.7	39%	0.385	32%	0.321	S	S	.	.	H	α-helix	trans	-72.1	-41.8	176.8	-54.9	0	0	0	0	110.6	S725 F726 D727 R732 S733	S725-S729 PolarHBondContact O-OG 3.18Å; F726-S729 WeakPolarHBondContact O-CA 3.48Å; F726-S729 VanDerWaalsContact O-CB 3.25Å; F726-S729 WeakPolarHBondContact O-CB 3.47Å; F726-S729 PolarHBondContact O-N 3.37Å; D727-S729 PolarHBondContact O-N 3.3Å; S729-R732 PolarHBondContact O-N 3.25Å; S729-S733 PolarHBondContact O-N 2.84Å; S729-S733 PolarHBondContact O-OG 3.45Å; S729-S733 VanDerWaalsContact O-OG 3.08Å
730	K	84.8	Confident	86.7	Confident	44 Å²	44	57.1 Å²	57.1	19%	0.191	32%	0.318	C	S	.	.	H	α-helix	trans	-59.1	-47.6	171.6	-69.8	-171.9	-176.3	177.8	0	112.1	Q532 F533 F726 D727 R732 S733 S734 Y737	Q532-K730 PolarHBondContact O-NZ 2.99Å; F533-K730 HydrophobicContact CD1-CD 4.47Å; F533-K730 HydrophobicContact CE1-CD 4.21Å; F726-K730 HydrophobicContact CD1-CD 4.37Å; F726-K730 HydrophobicContact CD1-CG 4.33Å; F726-K730 HydrophobicContact CE1-CD 4.2Å; F726-K730 HydrophobicContact CE1-CG 4.16Å; F726-K730 PolarHBondContact O-N 3.01Å; D727-K730 PolarHBondContact O-N 3.44Å; K730-R732 VanDerWaalsContact C-N 3.26Å; K730-R732 PolarHBondContact O-N 2.75Å; K730-S733 PolarHBondContact O-N 2.88Å; K730-S733 PolarHBondContact O-OG 3.31Å; K730-S734 VanDerWaalsContact O-CB 3.28Å; K730-S734 WeakPolarHBondContact O-CB 3.29Å; K730-S734 PolarHBondContact O-N 3.46Å; K730-Y737 HydrophobicContact CB-CD2 4.48Å
731	F	86.7	Confident	86.8	Confident	56 Å²	56	56.1 Å²	56.1	25%	0.246	31%	0.314	C	S	.	.	H	α-helix	trans	-57.4	-40.8	176.9	172.1	-94.7	0	0	0	111.9	F691 D727 Y737 R738 L741	F691-F731 HydrophobicContact CB-CB 4.44Å; F691-F731 HydrophobicContact CD1-CB 3.93Å; F691-F731 AromaticContact CD1-CD1 3.89Å; F691-F731 HydrophobicContact CD1-CD1 3.89Å; F691-F731 HydrophobicContact CD1-CD2 4.17Å; F691-F731 HydrophobicContact CD1-CE1 4.47Å; F691-F731 AromaticContact CD1-CG 3.72Å; F691-F731 HydrophobicContact CD1-CG 3.72Å; F691-F731 AromaticContact CE1-CD1 3.98Å; F691-F731 HydrophobicContact CE1-CD1 3.98Å; F691-F731 HydrophobicContact CE1-CE1 4.23Å; F691-F731 HydrophobicContact CE1-CG 4.27Å; D727-F731 WeakPolarHBondContact O-CB 3.4Å; D727-F731 PolarHBondContact O-N 3.24Å; F731-Y737 HydrophobicContact CB-CD1 4Å; F731-Y737 HydrophobicContact CB-CE1 3.93Å; F731-Y737 AromaticContact CD2-CD1 3.6Å; F731-Y737 HydrophobicContact CD2-CD1 3.6Å; F731-Y737 AromaticContact CD2-CE1 3.59Å; F731-Y737 HydrophobicContact CD2-CE1 3.59Å; F731-Y737 HydrophobicContact CG-CD1 4.27Å; F731-Y737 HydrophobicContact CG-CE1 4.25Å; F731-R738 HydrophobicContact CD2-CG 3.92Å; F731-R738 HydrophobicContact CE2-CG 3.67Å; F731-R738 HydrophobicContact CZ-CG 4.11Å; F731-L741 HydrophobicContact CD2-CD2 4.32Å; F731-L741 HydrophobicContact CE2-CD2 3.85Å
732	R	83.2	Confident	87	Confident	95 Å²	95	58.5 Å²	58.5	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-70.2	-39.1	179.7	-74.4	167.2	-179.5	176.7	-0.2	112.8	H642 I728 S729 K730	H642-R732 PolarHBondContact CD2-NH2 3.46Å; H642-R732 PolarHBondContact NE2-NH2 2.79Å; H642-R732 VanDerWaalsContact NE2-NH2 3.13Å; I728-R732 WeakPolarHBondContact O-CB 3.42Å; I728-R732 WeakPolarHBondContact O-CD 3.46Å; I728-R732 WeakPolarHBondContact O-CG 3.36Å; I728-R732 PolarHBondContact O-N 3.35Å; I728-R732 VanDerWaalsContact O-N 3.08Å; S729-R732 PolarHBondContact O-N 3.25Å; K730-R732 VanDerWaalsContact C-N 3.26Å; K730-R732 PolarHBondContact O-N 2.75Å
733	S	86.4	Confident	87.4	Confident	100 Å²	100	58.8 Å²	58.8	70%	0.699	33%	0.331	S	S	*	.	H	α-helix	trans	-88.6	-29.1	-174.2	61.9	0	0	0	0	114	S729 K730	S729-S733 PolarHBondContact O-N 2.84Å; S729-S733 PolarHBondContact O-OG 3.45Å; S729-S733 VanDerWaalsContact O-OG 3.08Å; K730-S733 PolarHBondContact O-N 2.88Å; K730-S733 PolarHBondContact O-OG 3.31Å
734	S	89.4	Confident	87.9	Confident	41 Å²	41	56.1 Å²	56.1	29%	0.287	31%	0.308	S	S	.	.			trans	-98.3	120	-173.8	-178.9	0	0	0	0	112.2	K730 S736 Y737 R738	K730-S734 VanDerWaalsContact O-CB 3.28Å; K730-S734 WeakPolarHBondContact O-CB 3.29Å; K730-S734 PolarHBondContact O-N 3.46Å; S734-S736 PolarHBondContact OG-N 2.85Å; S734-Y737 PolarHBondContact OG-N 3.3Å; S734-R738 PolarHBondContact O-NE 3.19Å
735	S	89.9	Confident	88.6	Confident	73 Å²	73	54.3 Å²	54.3	51%	0.51	29%	0.292	S	S	.	.	H	α-helix	trans	-69.2	-39.4	167.6	50	0	0	0	0	111.6	Y737 R738 N739	S735-Y737 VanDerWaalsContact C-N 3.33Å; S735-Y737 PolarHBondContact O-N 2.82Å; S735-R738 PolarHBondContact O-N 2.88Å; S735-R738 VanDerWaalsContact O-N 3.11Å; S735-N739 PolarHBondContact O-N 2.9Å
736	S	89.9	Confident	89.2	Confident	55 Å²	55	54.7 Å²	54.7	39%	0.385	29%	0.291	S	S	.	.	H	α-helix	trans	-56.7	-45.8	176.5	176.7	0	0	0	0	111.5	S734 R738 N739 C740	S734-S736 PolarHBondContact OG-N 2.85Å; S736-R738 VanDerWaalsContact C-N 3.3Å; S736-R738 PolarHBondContact O-N 3.4Å; S736-N739 PolarHBondContact O-N 3.03Å; S736-C740 WeakPolarHBondContact O-CB 3.45Å; S736-C740 PolarHBondContact O-N 3.26Å
737	Y	91.9	Very high	89.8	Confident	11 Å²	11	49.7 Å²	49.7	4%	0.043	27%	0.269	C	S	.	.	H	α-helix	trans	-55.5	-45.3	175.8	-171.8	-72.7	0	0	0	111.8	F439 F533 V689 F691 K730 F731 S734 S735 L741	F439-Y737 HydrophobicContact CE1-CE2 4.24Å; F439-Y737 AromaticContact CE2-CD2 3.8Å; F439-Y737 HydrophobicContact CE2-CD2 3.8Å; F439-Y737 AromaticContact CE2-CE2 3.89Å; F439-Y737 HydrophobicContact CE2-CE2 3.89Å; F439-Y737 HydrophobicContact CE2-CG 4.24Å; F439-Y737 HydrophobicContact CZ-CD1 4.09Å; F439-Y737 AromaticContact CZ-CD2 3.62Å; F439-Y737 HydrophobicContact CZ-CD2 3.62Å; F439-Y737 AromaticContact CZ-CE1 3.82Å; F439-Y737 HydrophobicContact CZ-CE1 3.82Å; F439-Y737 AromaticContact CZ-CE2 3.32Å; F439-Y737 HydrophobicContact CZ-CE2 3.32Å; F439-Y737 AromaticContact CZ-CG 3.99Å; F439-Y737 HydrophobicContact CZ-CG 3.99Å; F439-Y737 AromaticContact CZ-CZ 3.43Å; F439-Y737 VanDerWaalsContact CZ-CZ 3.43Å; F533-Y737 HydrophobicContact CD1-CE2 4.12Å; F533-Y737 HydrophobicContact CE1-CD2 4.07Å; F533-Y737 AromaticContact CE1-CE2 3.69Å; F533-Y737 HydrophobicContact CE1-CE2 3.69Å; V689-Y737 PolarHBondContact O-OH 2.95Å; V689-Y737 VanDerWaalsContact O-OH 3.05Å; F691-Y737 PolarHBondContact N-OH 3.13Å; F691-Y737 WeakPolarHBondContact O-CE1 3.45Å; F691-Y737 PolarHBondContact O-OH 3.4Å; F691-Y737 VanDerWaalsContact O-OH 3.04Å; K730-Y737 HydrophobicContact CB-CD2 4.48Å; F731-Y737 HydrophobicContact CB-CD1 4Å; F731-Y737 HydrophobicContact CB-CE1 3.93Å; F731-Y737 AromaticContact CD2-CD1 3.6Å; F731-Y737 HydrophobicContact CD2-CD1 3.6Å; F731-Y737 AromaticContact CD2-CE1 3.59Å; F731-Y737 HydrophobicContact CD2-CE1 3.59Å; F731-Y737 HydrophobicContact CG-CD1 4.27Å; F731-Y737 HydrophobicContact CG-CE1 4.25Å; S734-Y737 PolarHBondContact OG-N 3.3Å; S735-Y737 VanDerWaalsContact C-N 3.33Å; S735-Y737 PolarHBondContact O-N 2.82Å; Y737-L741 WeakPolarHBondContact O-CB 3.4Å; Y737-L741 PolarHBondContact O-N 3.41Å
738	R	92.8	Very high	90.4	Very high	110 Å²	110	49.3 Å²	49.3	42%	0.415	27%	0.267	S	S	.	.	H	α-helix	trans	-69.3	-39.8	-178.8	-70.6	178.8	-74.8	157.8	-3.4	112.3	F731 S734 S735 S736 L741 N742	F731-R738 HydrophobicContact CD2-CG 3.92Å; F731-R738 HydrophobicContact CE2-CG 3.67Å; F731-R738 HydrophobicContact CZ-CG 4.11Å; S734-R738 PolarHBondContact O-NE 3.19Å; S735-R738 PolarHBondContact O-N 2.88Å; S735-R738 VanDerWaalsContact O-N 3.11Å; S736-R738 VanDerWaalsContact C-N 3.3Å; S736-R738 PolarHBondContact O-N 3.4Å; R738-L741 PolarHBondContact O-N 3.41Å; R738-N742 PolarHBondContact O-N 3.21Å; R738-N742 PolarHBondContact O-ND2 3.22Å
739	N	93.3	Very high	90.8	Very high	82 Å²	82	49.2 Å²	49.2	44%	0.439	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-44.5	175.6	-70.3	-8.7	0	0	0	111.2	S735 S736 N742 T743	S735-N739 PolarHBondContact O-N 2.9Å; S736-N739 PolarHBondContact O-N 3.03Å; N739-N742 PolarHBondContact O-N 3.26Å; N739-T743 PolarHBondContact O-N 3.04Å; N739-T743 PolarHBondContact O-OG1 2.82Å
740	C	94	Very high	91.2	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.014	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-45.8	176.3	179.9	0	0	0	0	111.3	C436 F439 S736 N742 T743 L744	C436-C740 WeakPolarHBondContact CA-SG 3.32Å; C436-C740 HydrophobicContact CB-CB 4.2Å; C436-C740 WeakPolarHBondContact CB-SG 3.16Å; C436-C740 WeakPolarHBondContact SG-CA 3.24Å; C436-C740 WeakPolarHBondContact SG-CB 3.5Å; C436-C740 CovalentContact SG-SG 2.04Å; C436-C740 PolarHBondContact SG-SG 3.39Å; F439-C740 HydrophobicContact CD2-CB 4.29Å; F439-C740 VanDerWaalsContact CD2-SG 3.59Å; F439-C740 HydrophobicContact CE2-CB 4.24Å; S736-C740 WeakPolarHBondContact O-CB 3.45Å; S736-C740 PolarHBondContact O-N 3.26Å; C740-N742 VanDerWaalsContact C-N 3.26Å; C740-N742 PolarHBondContact O-N 2.92Å; C740-T743 WeakPolarHBondContact O-CB 3.31Å; C740-T743 PolarHBondContact O-N 3.37Å; C740-L744 WeakPolarHBondContact O-CG 3.28Å; C740-L744 PolarHBondContact O-N 3.49Å
741	L	93.7	Very high	91.6	Very high	4 Å²	4	51.4 Å²	51.4	2%	0.021	27%	0.273	C	S	.	.	H	α-helix	trans	-54.5	-45	175.8	-174.4	66.5	0	0	0	111.2	F688 W693 F731 Y737 R738 L744 K745	F688-L741 HydrophobicContact CD1-CD1 3.86Å; F688-L741 HydrophobicContact CE1-CD1 4.24Å; W693-L741 HydrophobicContact CB-CD1 4.23Å; F731-L741 HydrophobicContact CD2-CD2 4.32Å; F731-L741 HydrophobicContact CE2-CD2 3.85Å; Y737-L741 WeakPolarHBondContact O-CB 3.4Å; Y737-L741 PolarHBondContact O-N 3.41Å; R738-L741 PolarHBondContact O-N 3.41Å; L741-L744 PolarHBondContact O-N 3.43Å; L741-K745 VanDerWaalsContact O-CG 3.28Å; L741-K745 WeakPolarHBondContact O-CG 3.32Å; L741-K745 PolarHBondContact O-N 3.16Å
742	N	93	Very high	91.9	Very high	78 Å²	78	49 Å²	49	42%	0.417	26%	0.262	S	S	.	.	H	α-helix	trans	-62.6	-42.5	176.3	-71.7	-22.1	0	0	0	112.6	R738 N739 C740 L744 K745 D746	R738-N742 PolarHBondContact O-N 3.21Å; R738-N742 PolarHBondContact O-ND2 3.22Å; N739-N742 PolarHBondContact O-N 3.26Å; C740-N742 VanDerWaalsContact C-N 3.26Å; C740-N742 PolarHBondContact O-N 2.92Å; N742-L744 VanDerWaalsContact C-N 3.32Å; N742-L744 PolarHBondContact O-N 2.85Å; N742-K745 WeakPolarHBondContact O-CB 3.38Å; N742-K745 PolarHBondContact O-N 2.62Å; N742-K745 VanDerWaalsContact O-N 3.14Å; N742-D746 PolarHBondContact O-N 2.89Å; N742-D746 VanDerWaalsContact O-N 3.1Å
743	T	94.4	Very high	92.2	Very high	63 Å²	63	45.5 Å²	45.5	39%	0.387	25%	0.253	S	S	.	.	H	α-helix	trans	-57.6	-45.8	175.3	-54.6	0	0	0	0	111.2	N739 C740 K745 D746 E747	N739-T743 PolarHBondContact O-N 3.04Å; N739-T743 PolarHBondContact O-OG1 2.82Å; C740-T743 WeakPolarHBondContact O-CB 3.31Å; C740-T743 PolarHBondContact O-N 3.37Å; T743-K745 VanDerWaalsContact C-N 3.3Å; T743-K745 PolarHBondContact O-N 3.47Å; T743-D746 WeakPolarHBondContact O-CB 3.27Å; T743-D746 PolarHBondContact O-N 3.09Å; T743-E747 WeakPolarHBondContact O-CG 3.31Å; T743-E747 PolarHBondContact O-N 2.89Å
744	L	94.8	Very high	92.5	Very high	4 Å²	4	49.2 Å²	49.2	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-65.2	-31.3	178.1	-64.8	174.4	0	0	0	113	F439 R687 F688 C740 L741 N742 F748	F439-L744 HydrophobicContact CB-CD1 3.95Å; F439-L744 HydrophobicContact CD1-CD1 3.52Å; F439-L744 HydrophobicContact CE1-CD1 4.2Å; F439-L744 HydrophobicContact CG-CD1 3.92Å; R687-L744 HydrophobicContact CG-CB 4.49Å; F688-L744 HydrophobicContact CE1-CB 3.97Å; C740-L744 WeakPolarHBondContact O-CG 3.28Å; C740-L744 PolarHBondContact O-N 3.49Å; L741-L744 PolarHBondContact O-N 3.43Å; N742-L744 VanDerWaalsContact C-N 3.32Å; N742-L744 PolarHBondContact O-N 2.85Å; L744-F748 WeakPolarHBondContact O-CB 3.32Å; L744-F748 PolarHBondContact O-N 3.26Å
745	K	93.9	Very high	92.7	Very high	37 Å²	37	53.5 Å²	53.5	16%	0.161	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-45.2	172.2	-64.4	174.5	-167.6	-170	0	111.2	F688 W693 L741 N742 T743 E747 F748 H749	F688-K745 HydrophobicContact CE1-CG 4.3Å; W693-K745 VanDerWaalsContact CD1-NZ 3.33Å; W693-K745 HydrophobicContact CD2-CD 3.61Å; W693-K745 HydrophobicContact CD2-CG 3.49Å; W693-K745 VanDerWaalsContact CD2-CG 3.49Å; W693-K745 VanDerWaalsContact CE2-CD 3.43Å; W693-K745 HydrophobicContact CE3-CB 4.2Å; W693-K745 HydrophobicContact CE3-CD 4.12Å; W693-K745 HydrophobicContact CE3-CG 3.54Å; W693-K745 HydrophobicContact CG-CD 3.97Å; W693-K745 HydrophobicContact CG-CG 3.97Å; W693-K745 HydrophobicContact CH2-CB 4.24Å; W693-K745 HydrophobicContact CH2-CD 4.18Å; W693-K745 HydrophobicContact CH2-CG 4.13Å; W693-K745 HydrophobicContact CZ2-CD 3.75Å; W693-K745 HydrophobicContact CZ2-CG 4.16Å; W693-K745 HydrophobicContact CZ3-CB 4.03Å; W693-K745 HydrophobicContact CZ3-CD 4.36Å; W693-K745 HydrophobicContact CZ3-CG 3.85Å; W693-K745 VanDerWaalsContact NE1-NZ 3.15Å; L741-K745 VanDerWaalsContact O-CG 3.28Å; L741-K745 WeakPolarHBondContact O-CG 3.32Å; L741-K745 PolarHBondContact O-N 3.16Å; N742-K745 WeakPolarHBondContact O-CB 3.38Å; N742-K745 PolarHBondContact O-N 2.62Å; N742-K745 VanDerWaalsContact O-N 3.14Å; T743-K745 VanDerWaalsContact C-N 3.3Å; T743-K745 PolarHBondContact O-N 3.47Å; K745-E747 VanDerWaalsContact C-N 3.34Å; K745-E747 PolarHBondContact O-N 2.65Å; K745-F748 WeakPolarHBondContact O-CB 3.32Å; K745-F748 PolarHBondContact O-N 3.07Å; K745-H749 PolarHBondContact O-N 2.86Å
746	D	92.2	Very high	92.9	Very high	59 Å²	59	52.7 Å²	52.7	32%	0.316	25%	0.251	S	S	.	.	H	α-helix	trans	-63.3	-44.1	-178.7	-65.1	-4.7	0	0	0	110.6	N742 T743 H749 Q750 Q767	N742-D746 PolarHBondContact O-N 2.89Å; N742-D746 VanDerWaalsContact O-N 3.1Å; T743-D746 WeakPolarHBondContact O-CB 3.27Å; T743-D746 PolarHBondContact O-N 3.09Å; D746-H749 PolarHBondContact O-N 3.07Å; D746-Q750 VanDerWaalsContact O-CG 3.29Å; D746-Q750 WeakPolarHBondContact O-CG 3.33Å; D746-Q750 PolarHBondContact O-N 3.34Å; D746-Q767 PolarHBondContact OD1-NE2 3.2Å
747	E	93.7	Very high	92.8	Very high	47 Å²	47	51.7 Å²	51.7	22%	0.22	25%	0.249	C	C	.	.	H	α-helix	trans	-59	-46.5	172.6	-68.8	176.7	-176.3	0	0	111.4	R440 T743 K745 H749 Q750 D751	R440-E747 IonicContact CZ-OE1 3.65Å; R440-E747 IonicContact NH2-OE1 3.22Å; R440-E747 PolarHBondContact NH2-OE1 3.12Å; T743-E747 WeakPolarHBondContact O-CG 3.31Å; T743-E747 PolarHBondContact O-N 2.89Å; K745-E747 VanDerWaalsContact C-N 3.34Å; K745-E747 PolarHBondContact O-N 2.65Å; E747-H749 PolarHBondContact O-N 2.89Å; E747-Q750 PolarHBondContact O-N 3.41Å; E747-D751 VanDerWaalsContact O-CG 3.27Å; E747-D751 PolarHBondContact O-N 2.93Å
748	F	94.6	Very high	92.4	Very high	4 Å²	4	55.1 Å²	55.1	2%	0.018	28%	0.28	C	S	.	.	H	α-helix	trans	-61.5	-42.1	179.1	178.4	-104	0	0	0	112.3	D685 F688 W693 S697 M700 L744 K745 Q750 D751 L752	D685-F748 HydrophobicContact CB-CD2 4.32Å; D685-F748 HydrophobicContact CB-CE2 4.04Å; D685-F748 WeakPolarHBondContact OD2-CD2 3.46Å; F688-F748 HydrophobicContact CE2-CB 4.16Å; F688-F748 HydrophobicContact CE2-CD1 4.47Å; F688-F748 HydrophobicContact CE2-CD2 4.09Å; F688-F748 AromaticContact CE2-CG 3.98Å; F688-F748 HydrophobicContact CE2-CG 3.98Å; F688-F748 HydrophobicContact CZ-CB 3.89Å; F688-F748 HydrophobicContact CZ-CG 4.14Å; W693-F748 HydrophobicContact CZ3-CD1 4.25Å; S697-F748 WeakPolarHBondContact O-CZ 3.28Å; M700-F748 HydrophobicContact CB-CE1 4.42Å; M700-F748 HydrophobicContact SD-CD1 4.38Å; M700-F748 HydrophobicContact SD-CE1 3.95Å; L744-F748 WeakPolarHBondContact O-CB 3.32Å; L744-F748 PolarHBondContact O-N 3.26Å; K745-F748 WeakPolarHBondContact O-CB 3.32Å; K745-F748 PolarHBondContact O-N 3.07Å; F748-Q750 PolarHBondContact O-N 3.43Å; F748-D751 PolarHBondContact O-N 3.13Å; F748-L752 HydrophobicContact CD1-CD1 3.95Å; F748-L752 HydrophobicContact CD1-CG 4.33Å; F748-L752 HydrophobicContact CE1-CD1 3.3Å; F748-L752 HydrophobicContact CE1-CG 3.87Å; F748-L752 HydrophobicContact CE2-CD1 4.5Å; F748-L752 HydrophobicContact CE2-CD2 4.43Å; F748-L752 HydrophobicContact CE2-CG 4.24Å; F748-L752 HydrophobicContact CZ-CD1 3.62Å; F748-L752 HydrophobicContact CZ-CD2 4.04Å; F748-L752 HydrophobicContact CZ-CG 3.81Å; F748-L752 PolarHBondContact O-N 3.34Å
749	H	91.7	Very high	91.9	Very high	13 Å²	13	51.5 Å²	51.5	6%	0.06	27%	0.274	C	S	.	.	H	α-helix	trans	-61.3	-42.7	174.6	-70.8	164.7	0	0	0	112.7	W693 M700 K745 D746 E747 D751 L752 S753 L764 Q767	W693-H749 AromaticContact CH2-CE1 3.71Å; W693-H749 AromaticContact CH2-NE2 3.25Å; W693-H749 WeakPolarHBondContact CH2-NE2 3.3Å; W693-H749 AromaticContact CZ3-NE2 3.72Å; M700-H749 VanDerWaalsContact SD-CD2 3.59Å; K745-H749 PolarHBondContact O-N 2.86Å; D746-H749 PolarHBondContact O-N 3.07Å; E747-H749 PolarHBondContact O-N 2.89Å; H749-D751 VanDerWaalsContact C-N 3.33Å; H749-L752 PolarHBondContact O-N 3.37Å; H749-S753 WeakPolarHBondContact O-CB 3.47Å; H749-S753 PolarHBondContact O-N 2.87Å; H749-S753 PolarHBondContact O-OG 3.41Å; H749-L764 HydrophobicContact CB-CD2 4.04Å; H749-Q767 PolarHBondContact ND1-OE1 3.46Å; H749-Q767 VanDerWaalsContact ND1-OE1 3.1Å
750	Q	91.3	Very high	91.5	Very high	90 Å²	90	47.6 Å²	47.6	42%	0.421	25%	0.253	S	S	.	.	H	α-helix	trans	-62.9	-42.9	176.3	-69.6	172.7	32.3	0	0	110.8	D746 E747 F748 S753 R754	D746-Q750 VanDerWaalsContact O-CG 3.29Å; D746-Q750 WeakPolarHBondContact O-CG 3.33Å; D746-Q750 PolarHBondContact O-N 3.34Å; E747-Q750 PolarHBondContact O-N 3.41Å; F748-Q750 PolarHBondContact O-N 3.43Å; Q750-S753 WeakPolarHBondContact O-CB 3.3Å; Q750-S753 PolarHBondContact O-N 2.92Å; Q750-R754 VanDerWaalsContact O-CG 3.31Å; Q750-R754 WeakPolarHBondContact O-CG 3.27Å; Q750-R754 PolarHBondContact O-N 3.43Å
751	D	92.9	Very high	90.7	Very high	56 Å²	56	52.1 Å²	52.1	30%	0.299	28%	0.276	S	S	.	.	H	α-helix	trans	-64.7	-43.8	177.8	-68.3	-22.5	0	0	0	112	R687 E747 F748 H749 S753 R754 K755	R687-D751 IonicContact CZ-OD2 3.8Å; R687-D751 IonicContact NH1-OD2 2.68Å; R687-D751 PolarHBondContact NH1-OD2 2.82Å; R687-D751 IonicContact NH2-OD2 3.88Å; R687-D751 PolarHBondContact NH2-OD2 2.9Å; E747-D751 VanDerWaalsContact O-CG 3.27Å; E747-D751 PolarHBondContact O-N 2.93Å; F748-D751 PolarHBondContact O-N 3.13Å; H749-D751 VanDerWaalsContact C-N 3.33Å; D751-S753 VanDerWaalsContact C-N 3.3Å; D751-S753 PolarHBondContact O-N 3.2Å; D751-R754 PolarHBondContact O-N 3.48Å; D751-R754 IonicContact OD1-NH1 3.28Å; D751-R754 PolarHBondContact OD1-NH1 2.83Å; D751-K755 VanDerWaalsContact O-CB 3.3Å; D751-K755 WeakPolarHBondContact O-CB 3.49Å; D751-K755 PolarHBondContact O-N 3.43Å
752	L	92.4	Very high	90.1	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	29%	0.294	C	S	.	.	H	α-helix	trans	-59.5	-42.4	172.8	-77.7	-176	0	0	0	111.6	M700 E701 A704 F748 H749 R754 K755 Y756 A760 Y763	M700-L752 HydrophobicContact CB-CD1 4.48Å; M700-L752 HydrophobicContact CG-CD1 3.8Å; M700-L752 HydrophobicContact SD-CD1 3.7Å; E701-L752 HydrophobicContact CB-CD2 4.12Å; E701-L752 HydrophobicContact CG-CD2 4.04Å; A704-L752 HydrophobicContact CB-CD2 4.44Å; F748-L752 HydrophobicContact CD1-CD1 3.95Å; F748-L752 HydrophobicContact CD1-CG 4.33Å; F748-L752 HydrophobicContact CE1-CD1 3.3Å; F748-L752 HydrophobicContact CE1-CG 3.87Å; F748-L752 HydrophobicContact CE2-CD1 4.5Å; F748-L752 HydrophobicContact CE2-CD2 4.43Å; F748-L752 HydrophobicContact CE2-CG 4.24Å; F748-L752 HydrophobicContact CZ-CD1 3.62Å; F748-L752 HydrophobicContact CZ-CD2 4.04Å; F748-L752 HydrophobicContact CZ-CG 3.81Å; F748-L752 PolarHBondContact O-N 3.34Å; H749-L752 PolarHBondContact O-N 3.37Å; L752-R754 VanDerWaalsContact C-N 3.34Å; L752-R754 PolarHBondContact O-N 2.94Å; L752-K755 PolarHBondContact O-N 3.33Å; L752-Y756 HydrophobicContact CD2-CD2 3.71Å; L752-Y756 HydrophobicContact CD2-CE2 3.51Å; L752-Y756 PolarHBondContact O-N 2.95Å; L752-A760 HydrophobicContact CB-CB 4.19Å; L752-A760 WeakPolarHBondContact O-CB 3.36Å; L752-Y763 HydrophobicContact CD1-CD2 4.32Å; L752-Y763 HydrophobicContact CD1-CE2 4.38Å
753	S	90.8	Very high	89.6	Confident	22 Å²	22	52.6 Å²	52.6	15%	0.154	27%	0.274	C	S	.	.	H	α-helix	trans	-63.6	-40	177.9	-58.8	0	0	0	0	111.8	H749 Q750 D751 G757 L764	H749-S753 WeakPolarHBondContact O-CB 3.47Å; H749-S753 PolarHBondContact O-N 2.87Å; H749-S753 PolarHBondContact O-OG 3.41Å; Q750-S753 WeakPolarHBondContact O-CB 3.3Å; Q750-S753 PolarHBondContact O-N 2.92Å; D751-S753 VanDerWaalsContact C-N 3.3Å; D751-S753 PolarHBondContact O-N 3.2Å; S753-G757 VanDerWaalsContact O-CA 3.25Å; S753-G757 WeakPolarHBondContact O-CA 3.42Å; S753-G757 PolarHBondContact O-N 3.47Å; S753-L764 WeakPolarHBondContact OG-CD1 3.37Å
754	R	91.9	Very high	88.5	Confident	179 Å²	179	52.4 Å²	52.4	68%	0.675	27%	0.271	S	S	*	.	H	α-helix	trans	-66.2	-38.7	174.1	-69.9	169.4	-170.3	146.8	1	111.9	Q750 D751 L752	Q750-R754 VanDerWaalsContact O-CG 3.31Å; Q750-R754 WeakPolarHBondContact O-CG 3.27Å; Q750-R754 PolarHBondContact O-N 3.43Å; D751-R754 PolarHBondContact O-N 3.48Å; D751-R754 IonicContact OD1-NH1 3.28Å; D751-R754 PolarHBondContact OD1-NH1 2.83Å; L752-R754 VanDerWaalsContact C-N 3.34Å; L752-R754 PolarHBondContact O-N 2.94Å
755	K	94	Very high	86.9	Confident	131 Å²	131	56 Å²	56	57%	0.57	29%	0.293	S	S	*	.	H	α-helix	trans	-79.3	-40.3	-174.4	-171	174.8	176.6	-171.4	0	113.4	E701 D751 L752	E701-K755 IonicContact OE1-NZ 3.81Å; E701-K755 PolarHBondContact OE1-NZ 2.95Å; D751-K755 VanDerWaalsContact O-CB 3.3Å; D751-K755 WeakPolarHBondContact O-CB 3.49Å; D751-K755 PolarHBondContact O-N 3.43Å; L752-K755 PolarHBondContact O-N 3.33Å
756	Y	92.9	Very high	85.3	Confident	55 Å²	55	55.6 Å²	55.6	22%	0.216	30%	0.297	C	S	.	.	H	α-helix	trans	-117.2	-2.8	-171.7	-57.6	-68.6	0	0	0	114.2	E701 A704 Q705 L752 A758	E701-Y756 HydrophobicContact CG-CE2 3.91Å; E701-Y756 PolarHBondContact OE1-OH 3.49Å; A704-Y756 HydrophobicContact CB-CD2 3.72Å; A704-Y756 HydrophobicContact CB-CE2 4.17Å; A704-Y756 HydrophobicContact CB-CG 4.12Å; Q705-Y756 HydrophobicContact CG-CD1 4.39Å; Q705-Y756 HydrophobicContact CG-CE1 3.56Å; Q705-Y756 PolarHBondContact NE2-OH 3.08Å; L752-Y756 HydrophobicContact CD2-CD2 3.71Å; L752-Y756 HydrophobicContact CD2-CE2 3.51Å; L752-Y756 PolarHBondContact O-N 2.95Å; Y756-A758 PolarHBondContact O-N 2.92Å
757	G	89.7	Confident	83.4	Confident	34 Å²	34	56.3 Å²	56.3	35%	0.351	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	59.9	-126.7	173.3	0	0	0	0	0	113.1	S753 A759 A760 L761	S753-G757 VanDerWaalsContact O-CA 3.25Å; S753-G757 WeakPolarHBondContact O-CA 3.42Å; S753-G757 PolarHBondContact O-N 3.47Å; G757-A759 VanDerWaalsContact C-N 3.27Å; G757-A759 PolarHBondContact O-N 3.35Å; G757-A760 PolarHBondContact O-N 2.9Å; G757-L761 PolarHBondContact O-N 2.88Å
758	A	82.4	Confident	81.4	Confident	83 Å²	83	64.3 Å²	64.3	69%	0.686	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-58.1	-34.9	-173.2	0	0	0	0	0	113.9	Y756 A760 L761	Y756-A758 PolarHBondContact O-N 2.92Å; A758-A760 PolarHBondContact O-N 2.82Å; A758-L761 HydrophobicContact CB-CD1 4.46Å; A758-L761 PolarHBondContact O-N 3.42Å
759	A	82.8	Confident	78.9	Confident	34 Å²	34	71.1 Å²	71.1	28%	0.281	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-61.5	-27.7	178.7	0	0	0	0	0	112.7	G757	G757-A759 VanDerWaalsContact C-N 3.27Å; G757-A759 PolarHBondContact O-N 3.35Å
760	A	84.6	Confident	76.6	Confident	0 Å²	0	77.5 Å²	77.5	0%	0	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-96.6	-9.1	-178.9	0	0	0	0	0	114.6	L752 G757 A758 K762 Y763	L752-A760 HydrophobicContact CB-CB 4.19Å; L752-A760 WeakPolarHBondContact O-CB 3.36Å; G757-A760 PolarHBondContact O-N 2.9Å; A758-A760 PolarHBondContact O-N 2.82Å; A760-K762 PolarHBondContact O-N 3.26Å; A760-K762 VanDerWaalsContact O-N 3.17Å; A760-Y763 HydrophobicContact CB-CD2 3.85Å; A760-Y763 HydrophobicContact CB-CE2 3.87Å; A760-Y763 WeakPolarHBondContact O-CD2 3.34Å; A760-Y763 PolarHBondContact O-N 3.46Å; A760-Y763 VanDerWaalsContact O-N 3.14Å
761	L	77.9	Confident	75.8	Confident	98 Å²	98	76.9 Å²	76.9	51%	0.513	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-27.6	-179.5	-69.9	177	0	0	0	113	G757 A758 Y763 L764 T765	G757-L761 PolarHBondContact O-N 2.88Å; A758-L761 HydrophobicContact CB-CD1 4.46Å; A758-L761 PolarHBondContact O-N 3.42Å; L761-Y763 PolarHBondContact O-N 2.97Å; L761-L764 HydrophobicContact CD2-CD1 4.22Å; L761-L764 PolarHBondContact O-N 2.88Å; L761-T765 PolarHBondContact O-OG1 2.93Å
762	K	81.3	Confident	74.9	Confident	89 Å²	89	77.9 Å²	77.9	39%	0.387	40%	0.398	S	S	.	.	H	α-helix	trans	-59.3	-27.7	178	65.1	-175.9	-179.1	177.3	0	113.1	D703 A760 T765 A766	D703-K762 IonicContact OD1-NZ 3.7Å; D703-K762 PolarHBondContact OD1-NZ 3.16Å; D703-K762 WeakPolarHBondContact OD2-CE 3.46Å; D703-K762 IonicContact OD2-NZ 3.95Å; D703-K762 PolarHBondContact OD2-NZ 3.28Å; A760-K762 PolarHBondContact O-N 3.26Å; A760-K762 VanDerWaalsContact O-N 3.17Å; K762-T765 WeakPolarHBondContact CA-OG1 3.25Å; K762-T765 PolarHBondContact O-OG1 3.02Å; K762-A766 PolarHBondContact O-N 3.34Å; K762-A766 VanDerWaalsContact O-N 3.17Å
763	Y	82.1	Confident	74	Confident	2 Å²	2	82.1 Å²	82.1	1%	0.008	42%	0.419	C	S	.	.	H	α-helix	trans	-75.1	-35.3	-179.4	-49	-50.9	0	0	0	112.8	W667 M700 D703 A704 L752 A760 L761 T765 A766 Q767	W667-Y763 AromaticContact CD2-CE1 3.99Å; W667-Y763 HydrophobicContact CD2-CE1 3.99Å; W667-Y763 HydrophobicContact CE3-CD1 4.13Å; W667-Y763 AromaticContact CE3-CE1 3.74Å; W667-Y763 HydrophobicContact CE3-CE1 3.74Å; W667-Y763 AromaticContact CH2-CD1 3.45Å; W667-Y763 HydrophobicContact CH2-CD1 3.45Å; W667-Y763 VanDerWaalsContact CH2-CD1 3.45Å; W667-Y763 AromaticContact CH2-CE1 3.76Å; W667-Y763 HydrophobicContact CH2-CE1 3.76Å; W667-Y763 HydrophobicContact CZ2-CD1 4.02Å; W667-Y763 HydrophobicContact CZ2-CE1 4.01Å; W667-Y763 AromaticContact CZ3-CD1 3.51Å; W667-Y763 HydrophobicContact CZ3-CD1 3.51Å; W667-Y763 AromaticContact CZ3-CE1 3.62Å; W667-Y763 HydrophobicContact CZ3-CE1 3.62Å; M700-Y763 HydrophobicContact CG-CD1 3.96Å; M700-Y763 HydrophobicContact CG-CD2 4.16Å; M700-Y763 HydrophobicContact CG-CE1 3.77Å; M700-Y763 HydrophobicContact CG-CE2 4Å; M700-Y763 HydrophobicContact CG-CG 4.16Å; M700-Y763 PolarHBondContact O-OH 3.38Å; M700-Y763 HydrophobicContact SD-CD1 4.14Å; M700-Y763 HydrophobicContact SD-CD2 4.21Å; M700-Y763 HydrophobicContact SD-CG 3.97Å; D703-Y763 VanDerWaalsContact CG-OH 3.28Å; D703-Y763 WeakPolarHBondContact OD2-CE1 3.22Å; D703-Y763 PolarHBondContact OD2-OH 2.94Å; A704-Y763 WeakPolarHBondContact CA-OH 3.49Å; A704-Y763 HydrophobicContact CB-CE2 3.87Å; A704-Y763 PolarHBondContact N-OH 2.94Å; L752-Y763 HydrophobicContact CD1-CD2 4.32Å; L752-Y763 HydrophobicContact CD1-CE2 4.38Å; A760-Y763 HydrophobicContact CB-CD2 3.85Å; A760-Y763 HydrophobicContact CB-CE2 3.87Å; A760-Y763 WeakPolarHBondContact O-CD2 3.34Å; A760-Y763 PolarHBondContact O-N 3.46Å; A760-Y763 VanDerWaalsContact O-N 3.14Å; L761-Y763 PolarHBondContact O-N 2.97Å; Y763-T765 VanDerWaalsContact C-N 3.31Å; Y763-T765 PolarHBondContact O-N 3.35Å; Y763-A766 PolarHBondContact O-N 3.39Å; Y763-Q767 PolarHBondContact O-N 3.06Å
764	L	70.4	Confident	73	Confident	60 Å²	60	85.6 Å²	85.6	31%	0.314	43%	0.434	S	S	.	.	H	α-helix	trans	-66.4	-34.1	176.9	-65	174	0	0	0	111.9	H749 S753 L761	H749-L764 HydrophobicContact CB-CD2 4.04Å; S753-L764 WeakPolarHBondContact OG-CD1 3.37Å; L761-L764 HydrophobicContact CD2-CD1 4.22Å; L761-L764 PolarHBondContact O-N 2.88Å
765	T	62.1	Low	71.8	Confident	80 Å²	80	79.8 Å²	79.8	49%	0.491	42%	0.419	S	S	.	.	H	α-helix	trans	-74.7	-35.4	174.2	32.5	0	0	0	0	113.3	L761 K762 Y763 Q767 R768	L761-T765 PolarHBondContact O-OG1 2.93Å; K762-T765 WeakPolarHBondContact CA-OG1 3.25Å; K762-T765 PolarHBondContact O-OG1 3.02Å; Y763-T765 VanDerWaalsContact C-N 3.31Å; Y763-T765 PolarHBondContact O-N 3.35Å; T765-Q767 PolarHBondContact O-N 2.97Å; T765-R768 PolarHBondContact O-N 3.04Å
766	A	58.8	Low	70.3	Confident	28 Å²	28	76.3 Å²	76.3	23%	0.231	41%	0.409	C	S	.	.	H	α-helix	trans	-62.2	-33.3	177.6	0	0	0	0	0	112.1	K762 Y763	K762-A766 PolarHBondContact O-N 3.34Å; K762-A766 VanDerWaalsContact O-N 3.17Å; Y763-A766 PolarHBondContact O-N 3.39Å
767	Q	53.9	Low	68.7	Low	74 Å²	74	77.9 Å²	77.9	35%	0.346	42%	0.423	S	S	.	.	H	α-helix	trans	-71.6	-34.5	177.2	-170.1	178.8	-9.8	0	0	113.7	D746 H749 Y763 T765 N769 M770	D746-Q767 PolarHBondContact OD1-NE2 3.2Å; H749-Q767 PolarHBondContact ND1-OE1 3.46Å; H749-Q767 VanDerWaalsContact ND1-OE1 3.1Å; Y763-Q767 PolarHBondContact O-N 3.06Å; T765-Q767 PolarHBondContact O-N 2.97Å; Q767-N769 PolarHBondContact O-N 3.15Å; Q767-M770 PolarHBondContact O-N 3.49Å
768	R	50.8	Low	67.1	Low	215 Å²	215	81.2 Å²	81.2	81%	0.811	43%	0.429	S	S	*	.	H	α-helix	trans	-71.4	-15.5	178.9	-71.2	-177.8	180	176.7	0.5	113.7	T765	T765-R768 PolarHBondContact O-N 3.04Å
769	N	42.4	Very low	65.8	Low	146 Å²	146	81.1 Å²	81.1	78%	0.781	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.4	4.2	-179.9	-67.8	-20.4	0	0	0	113	Q767	Q767-N769 PolarHBondContact O-N 3.15Å
770	M	42.6	Very low	64.3	Low	147 Å²	147	85.4 Å²	85.4	72%	0.724	42%	0.419	S	S	*	.			trans	-100.6	0	168.4	-73.6	-163.7	172.4	0	0	110.4	S669 Q767	S669-M770 VanDerWaalsContact CB-CE 3.43Å; S669-M770 WeakPolarHBondContact OG-CE 3.37Å; Q767-M770 PolarHBondContact O-N 3.49Å

Retrieved 770 of 770 residues in 1459.1 ms (Link to these results)

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