A0A087YEZ8_POEFO Loading...

Procollagen-lysine, 2-oxoglutarate 5-dioxygenase 3

AlphaFold DB , UniProt , Accession A0A087YEZ8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 650 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.1	Very low	40.5	Very low	252 Å²	252	151 Å²	151	100%	1.241	76%	0.764	S	S	*	*				0	68.4	0	-84.6	-174.2	-97	0	0	110.9
2	A	42.5	Very low	40.2	Very low	102 Å²	102	147.5 Å²	147.5	84%	0.843	76%	0.755	S	S	*	*			trans	-170.4	77.5	170	0	0	0	0	0	109
3	S	42.2	Very low	39.7	Very low	99 Å²	99	143.6 Å²	143.6	69%	0.692	75%	0.747	S	S	*	*	S	Bend	trans	-163.2	4.3	166	-150.8	0	0	0	0	115.5
4	Y	40	Very low	39.1	Very low	217 Å²	217	145.4 Å²	145.4	85%	0.851	75%	0.747	S	S	*	*	S	Bend	trans	-113.7	11.2	-172.8	-84.8	-80.3	0	0	0	115.3
5	R	43.5	Very low	38.7	Very low	232 Å²	232	146 Å²	146	88%	0.875	75%	0.751	S	S	*	*	S	Bend	trans	-111.1	1.3	179	-77.6	-167.4	177.7	-165.6	0.3	115.7
6	L	40.5	Very low	38.3	Very low	149 Å²	149	142.8 Å²	142.8	78%	0.78	75%	0.746	S	S	*	*	S	Bend	trans	-103.4	1.3	-178.3	-142.8	76.5	0	0	0	114.7
7	L	40.7	Very low	38.1	Very low	121 Å²	121	139.4 Å²	139.4	63%	0.634	74%	0.737	S	S	*	*	S	Bend	trans	-101.5	-4.1	-176.9	-91.2	151.5	0	0	0	114.6
8	W	36.7	Very low	37.9	Very low	217 Å²	217	136.3 Å²	136.3	82%	0.822	73%	0.734	S	S	*	*	S	Bend	trans	-103	-12.6	178.8	-89.7	64.6	0	0	0	114.3
9	L	37.7	Very low	37.6	Very low	137 Å²	137	141.1 Å²	141.1	72%	0.717	74%	0.741	S	S	*	*	S	Bend	trans	-94.6	-15.7	177	-91.3	149.2	0	0	0	113.5
10	T	38.4	Very low	37.5	Very low	80 Å²	80	139 Å²	139	49%	0.491	75%	0.745	S	S	.	*	S	Bend	trans	-90.7	-22.3	175	46.1	0	0	0	0	112.9
11	A	37	Very low	37.6	Very low	55 Å²	55	139.9 Å²	139.9	46%	0.455	74%	0.744	S	S	.	*	S	Bend	trans	-79.6	-19.6	178.9	0	0	0	0	0	114.1
12	V	37.5	Very low	37.7	Very low	109 Å²	109	134.7 Å²	134.7	66%	0.661	72%	0.717	S	S	*	*	S	Bend	trans	-90.9	-20.3	178.4	-178.5	0	0	0	0	112.4
13	C	33.8	Very low	38.5	Very low	97 Å²	97	137.6 Å²	137.6	66%	0.655	71%	0.706	S	S	*	*	S	Bend	trans	-88.3	-8.7	174.9	-70.1	0	0	0	0	114.3
14	F	30.9	Very low	40	Very low	169 Å²	169	142.3 Å²	142.3	74%	0.741	71%	0.714	S	S	*	*	S	Bend	trans	-103.5	6	177.1	-92.1	-80.6	0	0	0	114.3
15	L	33.1	Very low	42.4	Very low	154 Å²	154	133.3 Å²	133.3	81%	0.806	68%	0.681	S	S	*	*	S	Bend	trans	-116.9	9.6	175.8	-81.1	162.4	0	0	0	113.5
16	S	33	Very low	44.6	Very low	95 Å²	95	124.3 Å²	124.3	66%	0.664	65%	0.653	S	S	*	*	S	Bend	trans	-105.7	-0.3	169.6	62.2	0	0	0	0	114.2	A18	S16-A18 PolarHBondContact O-N 2.73Å
17	S	34	Very low	47.1	Very low	85 Å²	85	119.4 Å²	119.4	59%	0.594	63%	0.63	S	S	*	*			trans	-80.6	53.3	158.6	66.5	0	0	0	0	109.2	W19	S17-W19 PolarHBondContact O-N 3.27Å
18	A	33.9	Very low	49.6	Very low	84 Å²	84	122 Å²	122	69%	0.694	64%	0.639	S	S	*	*			trans	-56.9	122.5	161	0	0	0	0	0	105.8	S16 A20	S16-A18 PolarHBondContact O-N 2.73Å; A18-A20 PolarHBondContact O-N 3.04Å
19	W	33.3	Very low	52.3	Low	227 Å²	227	114.6 Å²	114.6	86%	0.86	62%	0.616	S	S	*	*			trans	-45.1	113.8	175.5	-70.2	20.5	0	0	0	109.1	S17 E21	S17-W19 PolarHBondContact O-N 3.27Å; W19-E21 HydrophobicContact CE3-CG 4.42Å; W19-E21 PolarHBondContact O-N 3.23Å
20	A	36	Very low	55.2	Low	99 Å²	99	108.4 Å²	108.4	82%	0.818	58%	0.584	S	S	*	*			trans	-69.1	85.3	150.7	0	0	0	0	0	104.6	A18 Q22	A18-A20 PolarHBondContact O-N 3.04Å; A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.4Å
21	E	38.2	Very low	58	Low	158 Å²	158	105.6 Å²	105.6	74%	0.738	57%	0.565	S	S	*	*			trans	-49.3	109.1	160.7	-86.1	-177	151.2	0	0	105.8	W19 R23	W19-E21 HydrophobicContact CE3-CG 4.42Å; W19-E21 PolarHBondContact O-N 3.23Å; E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 2.91Å
22	Q	49.6	Very low	60.9	Low	143 Å²	143	103 Å²	103	67%	0.668	54%	0.544	S	S	*	.			trans	-63.4	99.2	175.2	-145.2	171.1	4.6	0	0	104.9	A20 K24	A20-Q22 VanDerWaalsContact C-N 3.33Å; A20-Q22 PolarHBondContact O-N 3.4Å; Q22-K24 PolarHBondContact O-N 3.36Å
23	R	59.6	Low	63.9	Low	162 Å²	162	97.8 Å²	97.8	61%	0.611	51%	0.512	S	S	*	.			trans	-55.3	104.7	-172.2	-158.2	177.3	-169.5	173.1	3.7	107.5	E21 L25 Q96	E21-R23 VanDerWaalsContact C-N 3.27Å; E21-R23 PolarHBondContact O-N 2.91Å; R23-L25 PolarHBondContact O-N 3.24Å; R23-Q96 VanDerWaalsContact CZ-NE2 3.25Å; R23-Q96 VanDerWaalsContact NH2-CD 3.32Å; R23-Q96 VanDerWaalsContact NH2-OE1 3.14Å
24	K	73.3	Confident	66.9	Low	199 Å²	199	93.2 Å²	93.2	87%	0.865	48%	0.481	S	S	*	.			trans	-67.6	107.3	-175.2	-168.3	178.3	-179.7	-175.5	0	107.7	Q22	Q22-K24 PolarHBondContact O-N 3.36Å
25	L	89.1	Confident	70.1	Confident	28 Å²	28	85.6 Å²	85.6	15%	0.147	45%	0.45	C	S	.	.			trans	-69.4	137.7	177.4	-62.3	172.2	0	0	0	108.9	R23 V98 L117 F120 F163	R23-L25 PolarHBondContact O-N 3.24Å; L25-V98 HydrophobicContact CD1-CG2 4.27Å; L25-V98 HydrophobicContact CD2-CG2 4.08Å; L25-L117 HydrophobicContact CB-CB 4.13Å; L25-L117 HydrophobicContact CB-CD1 4.13Å; L25-L117 HydrophobicContact CB-CD2 4.12Å; L25-L117 HydrophobicContact CB-CG 4.37Å; L25-L117 HydrophobicContact CD1-CD2 4.1Å; L25-F120 HydrophobicContact CD1-CD1 3.66Å; L25-F120 HydrophobicContact CD1-CE1 4.06Å; L25-F163 HydrophobicContact CD2-CE1 4.16Å; L25-F163 HydrophobicContact CD2-CZ 4.39Å
26	S	91	Very high	73.1	Confident	43 Å²	43	78.4 Å²	78.4	30%	0.301	41%	0.412	S	S	.	.			trans	-97.7	136.1	178.8	-179.1	0	0	0	0	110.3	E28 N29	S26-E28 PolarHBondContact O-N 3.04Å; S26-E28 PolarHBondContact OG-N 3.47Å; S26-N29 PolarHBondContact O-N 2.74Å
27	P	92.9	Very high	76.1	Confident	45 Å²	45	74.5 Å²	74.5	29%	0.292	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-52.9	-29.4	169.1	-29.4	37.2	0	0	0	114.6	N29 L30 P113 D114 L117	P27-N29 PolarHBondContact O-N 3.18Å; P27-L30 WeakPolarHBondContact O-CB 3.31Å; P27-L30 PolarHBondContact O-N 3.37Å; P27-L30 VanDerWaalsContact O-N 3.1Å; P27-P113 HydrophobicContact CB-CB 3.89Å; P27-P113 HydrophobicContact CG-CB 4.26Å; P27-D114 WeakPolarHBondContact CG-OD1 3.19Å; P27-L117 HydrophobicContact CG-CD1 4.3Å
28	E	92.1	Very high	79	Confident	175 Å²	175	75 Å²	75	82%	0.818	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-63.9	-24.2	176.8	-63.7	176.8	171.6	0	0	112.6	S26	S26-E28 PolarHBondContact O-N 3.04Å; S26-E28 PolarHBondContact OG-N 3.47Å
29	N	94.4	Very high	81.9	Confident	63 Å²	63	76.1 Å²	76.1	34%	0.337	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-100.6	22.3	177.8	-62.9	-22.4	0	0	0	111.8	S26 P27 V98	S26-N29 PolarHBondContact O-N 2.74Å; P27-N29 PolarHBondContact O-N 3.18Å; N29-V98 PolarHBondContact O-N 3.27Å
30	L	97.8	Very high	84.8	Confident	7 Å²	7	66.4 Å²	66.4	4%	0.037	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	126.7	173	177.2	69.3	0	0	0	110.3	P27 Y55 V98 M100 P113 L116 L117 I161	P27-L30 WeakPolarHBondContact O-CB 3.31Å; P27-L30 PolarHBondContact O-N 3.37Å; P27-L30 VanDerWaalsContact O-N 3.1Å; L30-Y55 HydrophobicContact CD2-CD1 3.89Å; L30-Y55 HydrophobicContact CD2-CE1 3.7Å; L30-V98 WeakPolarHBondContact CA-O 3.48Å; L30-V98 HydrophobicContact CD1-CB 4.3Å; L30-V98 HydrophobicContact CD1-CG1 4.06Å; L30-M100 HydrophobicContact CD1-CB 4.48Å; L30-P113 HydrophobicContact CD2-CB 3.87Å; L30-P113 HydrophobicContact CD2-CG 4.43Å; L30-L116 HydrophobicContact CD1-CD2 4.33Å; L30-L116 HydrophobicContact CD2-CD2 3.77Å; L30-L117 HydrophobicContact CB-CD1 4.41Å; L30-L117 HydrophobicContact CB-CD2 4.5Å; L30-L117 HydrophobicContact CD1-CD2 4.2Å; L30-I161 HydrophobicContact CD1-CD1 4.4Å
31	L	98.1	Very high	87.7	Confident	21 Å²	21	62.8 Å²	62.8	11%	0.11	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	125.4	169.9	-179.3	64.4	0	0	0	110.1	I33 K58 L97 V98 V99 M100	L31-I33 HydrophobicContact CD2-CD1 3.98Å; L31-I33 HydrophobicContact CD2-CG1 3.96Å; L31-I33 HydrophobicContact CG-CD1 4.46Å; L31-I33 HydrophobicContact CG-CG1 3.93Å; L31-K58 HydrophobicContact CD1-CB 4.05Å; L31-L97 HydrophobicContact CB-CD1 4.09Å; L31-V98 PolarHBondContact N-O 3.16Å; L31-V99 HydrophobicContact CB-CG2 4.41Å; L31-V99 VanDerWaalsContact O-CA 3.3Å; L31-V99 WeakPolarHBondContact O-CA 3.3Å; L31-M100 PolarHBondContact O-N 3.02Å
32	V	98.5	Very high	90.5	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	124.6	169.5	-173.9	0	0	0	0	108.3	F46 Y55 S56 L57 K58 M100 V102	V32-F46 HydrophobicContact CG1-CZ 4.36Å; V32-Y55 HydrophobicContact CG2-CD1 3.39Å; V32-Y55 HydrophobicContact CG2-CE1 4.11Å; V32-Y55 HydrophobicContact CG2-CG 4.02Å; V32-S56 PolarHBondContact N-O 3.09Å; V32-L57 HydrophobicContact CB-CD1 4.08Å; V32-L57 HydrophobicContact CG1-CD1 3.87Å; V32-L57 CarbonylContact O-C 3.23Å; V32-L57 WeakPolarHBondContact O-CA 3.25Å; V32-K58 PolarHBondContact O-N 3.11Å; V32-M100 CarbonylContact C-O 3.48Å; V32-M100 WeakPolarHBondContact CA-O 3.15Å; V32-M100 HydrophobicContact CG1-CE 3.89Å; V32-M100 HydrophobicContact CG2-CE 3.83Å; V32-V102 HydrophobicContact CG1-CG2 4.01Å
33	I	98.6	Very high	92.8	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	135.9	176	-56	-175.8	0	0	0	108.5	L31 K58 L60 L84 E87 L88 V99 M100 F101 V102	L31-I33 HydrophobicContact CD2-CD1 3.98Å; L31-I33 HydrophobicContact CD2-CG1 3.96Å; L31-I33 HydrophobicContact CG-CD1 4.46Å; L31-I33 HydrophobicContact CG-CG1 3.93Å; I33-K58 WeakPolarHBondContact CA-O 3.35Å; I33-K58 HydrophobicContact CG1-CB 4.24Å; I33-L60 HydrophobicContact CG2-CD1 3.49Å; I33-L60 VanDerWaalsContact CG2-CD1 3.49Å; I33-L60 HydrophobicContact CG2-CD2 4.47Å; I33-L60 HydrophobicContact CG2-CG 3.8Å; I33-L84 HydrophobicContact CB-CD1 4.25Å; I33-L84 HydrophobicContact CD1-CD1 3.97Å; I33-L84 HydrophobicContact CG2-CD1 3.79Å; I33-E87 HydrophobicContact CD1-CG 4.05Å; I33-L88 HydrophobicContact CD1-CD2 4.14Å; I33-V99 HydrophobicContact CB-CG1 4.4Å; I33-V99 HydrophobicContact CD1-CG1 3.62Å; I33-V99 HydrophobicContact CG1-CG1 3.78Å; I33-M100 PolarHBondContact N-O 3.15Å; I33-F101 HydrophobicContact CB-CD2 4.3Å; I33-F101 HydrophobicContact CG2-CD2 4.15Å; I33-F101 VanDerWaalsContact O-CA 3.3Å; I33-F101 WeakPolarHBondContact O-CA 3.4Å; I33-F101 WeakPolarHBondContact O-CD2 3.43Å; I33-V102 PolarHBondContact O-N 2.85Å; I33-V102 VanDerWaalsContact O-N 3.12Å
34	T	98.5	Very high	94.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	166.2	172.4	-164.5	0	0	0	0	111	F43 F46 L57 K58 V59 L60 V102 S104	T34-F43 HydrophobicContact CG2-CE2 4.43Å; T34-F46 HydrophobicContact CG2-CE1 3.83Å; T34-L57 HydrophobicContact CG2-CD1 4.02Å; T34-K58 PolarHBondContact N-O 2.95Å; T34-V59 HydrophobicContact CG2-CB 4.49Å; T34-V59 HydrophobicContact CG2-CG1 4.37Å; T34-V59 HydrophobicContact CG2-CG2 4.12Å; T34-L60 PolarHBondContact O-N 2.8Å; T34-V102 WeakPolarHBondContact CA-O 3.46Å; T34-V102 VanDerWaalsContact CB-O 3.25Å; T34-V102 WeakPolarHBondContact CB-O 3.27Å; T34-V102 PolarHBondContact OG1-O 2.65Å; T34-S104 VanDerWaalsContact OG1-CB 3.27Å; T34-S104 WeakPolarHBondContact OG1-CB 3.38Å; T34-S104 PolarHBondContact OG1-N 2.9Å
35	A	97.2	Very high	95.7	Very high	10 Å²	10	39.7 Å²	39.7	8%	0.083	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	135.5	171.6	0	0	0	0	0	110	L60 K80 W83 S104	A35-L60 WeakPolarHBondContact CA-O 3.31Å; A35-K80 HydrophobicContact CB-CB 4.26Å; A35-K80 HydrophobicContact CB-CD 4.06Å; A35-K80 HydrophobicContact CB-CG 3.75Å; A35-W83 HydrophobicContact CB-CE3 4.27Å; A35-W83 HydrophobicContact CB-CZ3 4.37Å; A35-S104 PolarHBondContact O-OG 2.95Å
36	A	97.1	Very high	96.1	Very high	3 Å²	3	38.4 Å²	38.4	3%	0.025	19%	0.19	C	C	.	.			trans	-154.4	129.8	172.6	0	0	0	0	0	108.3	F43 V59 L60 G61 L62 Y105	A36-F43 HydrophobicContact CB-CD2 3.42Å; A36-F43 VanDerWaalsContact CB-CD2 3.42Å; A36-F43 HydrophobicContact CB-CE2 3.52Å; A36-F43 HydrophobicContact CB-CG 4.16Å; A36-F43 HydrophobicContact CB-CZ 4.31Å; A36-V59 HydrophobicContact CB-CG1 3.92Å; A36-L60 PolarHBondContact N-O 3.29Å; A36-L60 VanDerWaalsContact O-O 3.11Å; A36-G61 CarbonylContact O-C 3.47Å; A36-L62 WeakPolarHBondContact O-CA 3.48Å; A36-L62 PolarHBondContact O-N 2.92Å; A36-Y105 HydrophobicContact CB-CE1 3.81Å
37	T	95.9	Very high	96.5	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.08	19%	0.19	C	C	.	.	S	Bend	trans	-87.6	-25.7	174.2	52.2	0	0	0	0	112.1	G61 G63 E64 W66 W83 Y105	T37-G61 WeakPolarHBondContact CA-O 3.44Å; T37-G63 PolarHBondContact O-N 2.85Å; T37-E64 WeakPolarHBondContact CB-O 3.49Å; T37-E64 WeakPolarHBondContact CG2-O 3.19Å; T37-W66 HydrophobicContact CG2-CB 4Å; T37-W66 HydrophobicContact CG2-CE3 3.92Å; T37-W83 HydrophobicContact CG2-CH2 3.75Å; T37-W83 HydrophobicContact CG2-CZ3 4.39Å; T37-Y105 PolarHBondContact N-OH 3.28Å; T37-Y105 VanDerWaalsContact N-OH 3.09Å; T37-Y105 PolarHBondContact OG1-OH 3.47Å
38	E	94	Very high	96.6	Very high	95 Å²	95	40.8 Å²	40.8	44%	0.444	20%	0.195	S	C	.	.	S	Bend	trans	-144.7	158.2	-175.9	-61	-177.9	-143.5	0	0	111.6	T40 Y105 K468	E38-T40 VanDerWaalsContact C-N 3.29Å; E38-T40 HydrophobicContact CB-CG2 4.37Å; E38-T40 PolarHBondContact O-N 3.41Å; E38-Y105 PolarHBondContact N-OH 3.38Å; E38-Y105 VanDerWaalsContact N-OH 3.12Å; E38-Y105 PolarHBondContact O-OH 3.02Å; E38-K468 IonicContact OE1-NZ 2.81Å; E38-K468 VanDerWaalsContact OE2-CE 3.32Å; E38-K468 WeakPolarHBondContact OE2-CE 3.14Å; E38-K468 IonicContact OE2-NZ 3.24Å; E38-K468 PolarHBondContact OE2-NZ 3.5Å
39	E	94.8	Very high	96.8	Very high	107 Å²	107	32.7 Å²	32.7	50%	0.5	16%	0.158	S	C	.	.			trans	-83	71.7	175	-61.9	-170.6	174.1	0	0	111.8	F43 R44 L62	E39-F43 HydrophobicContact CB-CD1 4.23Å; E39-F43 HydrophobicContact CG-CD1 4.19Å; E39-F43 HydrophobicContact CG-CE1 4.09Å; E39-R44 PolarHBondContact O-NH2 3.38Å; E39-L62 HydrophobicContact CG-CD1 4.16Å
40	T	95.1	Very high	97	Very high	24 Å²	24	29.8 Å²	29.8	15%	0.147	14%	0.142	C	C	.	.			trans	-70.6	164.1	175.1	67.7	0	0	0	0	111.9	E38 G42 F43 R44 Y105	E38-T40 VanDerWaalsContact C-N 3.29Å; E38-T40 HydrophobicContact CB-CG2 4.37Å; E38-T40 PolarHBondContact O-N 3.41Å; T40-G42 PolarHBondContact O-N 3.27Å; T40-F43 WeakPolarHBondContact O-CB 3.23Å; T40-F43 PolarHBondContact O-N 3.21Å; T40-F43 VanDerWaalsContact O-N 3.15Å; T40-F43 WeakPolarHBondContact OG1-CB 3.33Å; T40-F43 PolarHBondContact OG1-N 2.83Å; T40-F43 VanDerWaalsContact OG1-N 3.1Å; T40-R44 WeakPolarHBondContact O-CG 3.22Å; T40-R44 PolarHBondContact O-N 3.24Å; T40-Y105 HydrophobicContact CG2-CD1 4.39Å; T40-Y105 HydrophobicContact CG2-CD2 4.45Å; T40-Y105 HydrophobicContact CG2-CE1 3.94Å; T40-Y105 HydrophobicContact CG2-CE2 4.02Å; T40-Y105 VanDerWaalsContact OG1-CD1 3.25Å; T40-Y105 WeakPolarHBondContact OG1-CD1 3.46Å; T40-Y105 WeakPolarHBondContact OG1-CE1 3.49Å
41	D	95.4	Very high	96.9	Very high	23 Å²	23	32.4 Å²	32.4	12%	0.123	17%	0.165	C	C	.	.	H	α-helix	trans	-61	-36.2	175.6	-65.2	-26.5	0	0	0	111.7	R44 R45 F496	D41-R44 PolarHBondContact O-N 2.93Å; D41-R44 IonicContact OD1-NH1 3.84Å; D41-R44 PolarHBondContact OD1-NH1 3.11Å; D41-R45 WeakPolarHBondContact O-CB 3.24Å; D41-R45 PolarHBondContact O-N 3.27Å; D41-F496 HydrophobicContact CB-CB 4.14Å; D41-F496 HydrophobicContact CB-CD1 4.08Å; D41-F496 HydrophobicContact CB-CD2 3.47Å; D41-F496 VanDerWaalsContact CB-CD2 3.47Å; D41-F496 HydrophobicContact CB-CE1 4.36Å; D41-F496 HydrophobicContact CB-CE2 3.78Å; D41-F496 HydrophobicContact CB-CG 3.62Å; D41-F496 HydrophobicContact CB-CZ 4.22Å; D41-F496 PolarHBondContact OD2-N 2.85Å
42	G	97.2	Very high	96.8	Very high	4 Å²	4	34.8 Å²	34.8	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-62.2	-45.6	172.5	0	0	0	0	0	113.1	T40 R45 F46 Y105	T40-G42 PolarHBondContact O-N 3.27Å; G42-R45 WeakPolarHBondContact O-CB 3.32Å; G42-R45 PolarHBondContact O-N 2.87Å; G42-F46 PolarHBondContact O-N 3.45Å; G42-Y105 VanDerWaalsContact CA-O 3.23Å; G42-Y105 WeakPolarHBondContact CA-O 3.43Å
43	F	97.8	Very high	96.7	Very high	13 Å²	13	36.9 Å²	36.9	6%	0.057	18%	0.184	C	C	.	.	H	α-helix	trans	-61.4	-46.1	175	175.5	-103.4	0	0	0	112	T34 A36 E39 T40 R45 F46 V47 V59 Y105	T34-F43 HydrophobicContact CG2-CE2 4.43Å; A36-F43 HydrophobicContact CB-CD2 3.42Å; A36-F43 VanDerWaalsContact CB-CD2 3.42Å; A36-F43 HydrophobicContact CB-CE2 3.52Å; A36-F43 HydrophobicContact CB-CG 4.16Å; A36-F43 HydrophobicContact CB-CZ 4.31Å; E39-F43 HydrophobicContact CB-CD1 4.23Å; E39-F43 HydrophobicContact CG-CD1 4.19Å; E39-F43 HydrophobicContact CG-CE1 4.09Å; T40-F43 WeakPolarHBondContact O-CB 3.23Å; T40-F43 PolarHBondContact O-N 3.21Å; T40-F43 VanDerWaalsContact O-N 3.15Å; T40-F43 WeakPolarHBondContact OG1-CB 3.33Å; T40-F43 PolarHBondContact OG1-N 2.83Å; T40-F43 VanDerWaalsContact OG1-N 3.1Å; F43-R45 VanDerWaalsContact C-N 3.31Å; F43-R45 PolarHBondContact O-N 3.47Å; F43-F46 WeakPolarHBondContact O-CB 3.31Å; F43-F46 PolarHBondContact O-N 3.02Å; F43-F46 VanDerWaalsContact O-N 3.14Å; F43-V47 HydrophobicContact CD1-CG2 4.11Å; F43-V47 HydrophobicContact CD2-CG2 4.24Å; F43-V47 HydrophobicContact CE1-CG2 3.64Å; F43-V47 HydrophobicContact CE2-CG2 3.77Å; F43-V47 HydrophobicContact CG-CG2 4.4Å; F43-V47 HydrophobicContact CZ-CG2 3.45Å; F43-V47 VanDerWaalsContact CZ-CG2 3.45Å; F43-V47 WeakPolarHBondContact O-CG2 3.4Å; F43-V47 PolarHBondContact O-N 2.91Å; F43-V59 HydrophobicContact CE2-CG1 3.85Å; F43-V59 HydrophobicContact CE2-CG2 4.02Å; F43-V59 HydrophobicContact CZ-CG1 3.93Å; F43-V59 HydrophobicContact CZ-CG2 3.86Å; F43-Y105 HydrophobicContact CB-CD1 3.82Å; F43-Y105 HydrophobicContact CB-CE1 3.88Å
44	R	96.7	Very high	96.6	Very high	129 Å²	129	43.7 Å²	43.7	49%	0.487	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-41.3	177.4	-70.6	179.9	-174	138.7	-0.3	111.6	E39 T40 D41 V47 K48	E39-R44 PolarHBondContact O-NH2 3.38Å; T40-R44 WeakPolarHBondContact O-CG 3.22Å; T40-R44 PolarHBondContact O-N 3.24Å; D41-R44 PolarHBondContact O-N 2.93Å; D41-R44 IonicContact OD1-NH1 3.84Å; D41-R44 PolarHBondContact OD1-NH1 3.11Å; R44-V47 PolarHBondContact O-N 2.81Å; R44-K48 WeakPolarHBondContact O-CB 3.36Å; R44-K48 PolarHBondContact O-N 3.19Å
45	R	97.3	Very high	96.6	Very high	31 Å²	31	44.5 Å²	44.5	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-58.7	-47.7	172.9	-178.8	179.9	62.1	-157.9	-6.2	111.3	D41 G42 F43 K48 T49 I108 N254	D41-R45 WeakPolarHBondContact O-CB 3.24Å; D41-R45 PolarHBondContact O-N 3.27Å; G42-R45 WeakPolarHBondContact O-CB 3.32Å; G42-R45 PolarHBondContact O-N 2.87Å; F43-R45 VanDerWaalsContact C-N 3.31Å; F43-R45 PolarHBondContact O-N 3.47Å; R45-K48 PolarHBondContact O-N 3.07Å; R45-T49 WeakPolarHBondContact O-CG2 3.38Å; R45-T49 PolarHBondContact O-N 3.33Å; R45-T49 VanDerWaalsContact O-N 3.11Å; R45-I108 HydrophobicContact CG-CG2 3.95Å; R45-N254 PolarHBondContact NH1-OD1 3.48Å; R45-N254 PolarHBondContact NH2-OD1 2.87Å
46	F	98.4	Very high	96.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-52	177	168.7	-100.9	0	0	0	112.1	V32 T34 G42 F43 K48 T49 A50 L57 V102 S104 V107 L109	V32-F46 HydrophobicContact CG1-CZ 4.36Å; T34-F46 HydrophobicContact CG2-CE1 3.83Å; G42-F46 PolarHBondContact O-N 3.45Å; F43-F46 WeakPolarHBondContact O-CB 3.31Å; F43-F46 PolarHBondContact O-N 3.02Å; F43-F46 VanDerWaalsContact O-N 3.14Å; F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.41Å; F46-T49 PolarHBondContact O-N 3.28Å; F46-T49 VanDerWaalsContact O-N 3.1Å; F46-T49 PolarHBondContact O-OG1 2.92Å; F46-A50 PolarHBondContact O-N 3.45Å; F46-L57 HydrophobicContact CE1-CD1 3.71Å; F46-L57 HydrophobicContact CE1-CD2 3.92Å; F46-L57 HydrophobicContact CE1-CG 4.5Å; F46-L57 HydrophobicContact CZ-CD1 3.99Å; F46-V102 HydrophobicContact CE2-CG2 3.66Å; F46-V102 HydrophobicContact CZ-CG2 3.66Å; F46-S104 WeakPolarHBondContact CB-O 3.3Å; F46-V107 WeakPolarHBondContact CB-O 3.44Å; F46-V107 HydrophobicContact CD2-CB 4.05Å; F46-V107 HydrophobicContact CD2-CG1 3.91Å; F46-V107 HydrophobicContact CE2-CB 4.48Å; F46-V107 HydrophobicContact CE2-CG1 4.01Å; F46-L109 HydrophobicContact CE2-CD1 4.13Å; F46-L109 HydrophobicContact CE2-CD2 4.43Å; F46-L109 HydrophobicContact CE2-CG 4.1Å
47	V	97.8	Very high	96.6	Very high	50 Å²	50	49.8 Å²	49.8	30%	0.303	26%	0.256	S	S	.	.	H	α-helix	trans	-57.5	-41.8	179	171.1	0	0	0	0	111.3	F43 R44 T49 A50 A51 L57	F43-V47 HydrophobicContact CD1-CG2 4.11Å; F43-V47 HydrophobicContact CD2-CG2 4.24Å; F43-V47 HydrophobicContact CE1-CG2 3.64Å; F43-V47 HydrophobicContact CE2-CG2 3.77Å; F43-V47 HydrophobicContact CG-CG2 4.4Å; F43-V47 HydrophobicContact CZ-CG2 3.45Å; F43-V47 VanDerWaalsContact CZ-CG2 3.45Å; F43-V47 WeakPolarHBondContact O-CG2 3.4Å; F43-V47 PolarHBondContact O-N 2.91Å; R44-V47 PolarHBondContact O-N 2.81Å; V47-T49 PolarHBondContact O-N 3.39Å; V47-A50 PolarHBondContact O-N 3.12Å; V47-A51 WeakPolarHBondContact O-CB 3.45Å; V47-A51 PolarHBondContact O-N 3Å; V47-L57 HydrophobicContact CG2-CD2 3.96Å
48	K	95.9	Very high	96.7	Very high	89 Å²	89	53 Å²	53	39%	0.387	27%	0.269	S	S	.	.	H	α-helix	trans	-58.9	-47.2	175.9	-178.8	173.7	174.6	173.3	0	111.7	R44 R45 F46 A50 A51 Q52 D275	R44-K48 WeakPolarHBondContact O-CB 3.36Å; R44-K48 PolarHBondContact O-N 3.19Å; R45-K48 PolarHBondContact O-N 3.07Å; F46-K48 VanDerWaalsContact C-N 3.28Å; F46-K48 PolarHBondContact O-N 3.41Å; K48-A50 VanDerWaalsContact C-N 3.32Å; K48-A50 PolarHBondContact O-N 3.27Å; K48-A51 PolarHBondContact O-N 3.45Å; K48-Q52 WeakPolarHBondContact O-CB 3.27Å; K48-Q52 PolarHBondContact O-N 2.97Å; K48-D275 WeakPolarHBondContact CE-OD2 3.42Å; K48-D275 IonicContact NZ-OD2 2.82Å; K48-D275 PolarHBondContact NZ-OD2 3.39Å
49	T	96.9	Very high	96.8	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.031	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-33.7	177.1	64.9	0	0	0	0	112.9	R45 F46 V47 F53 I108 L109	R45-T49 WeakPolarHBondContact O-CG2 3.38Å; R45-T49 PolarHBondContact O-N 3.33Å; R45-T49 VanDerWaalsContact O-N 3.11Å; F46-T49 PolarHBondContact O-N 3.28Å; F46-T49 VanDerWaalsContact O-N 3.1Å; F46-T49 PolarHBondContact O-OG1 2.92Å; V47-T49 PolarHBondContact O-N 3.39Å; T49-F53 VanDerWaalsContact O-CD2 3.28Å; T49-F53 WeakPolarHBondContact O-CD2 3.16Å; T49-I108 HydrophobicContact CG2-CB 4.27Å; T49-L109 PolarHBondContact OG1-N 3.16Å; T49-L109 VanDerWaalsContact OG1-N 3.09Å
50	A	97.8	Very high	97	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.008	24%	0.24	C	C	.	.	H	α-helix	trans	-67.1	-46.7	175.5	0	0	0	0	0	112.3	F46 V47 K48 Q52 F53 N54 Y55 L109	F46-A50 PolarHBondContact O-N 3.45Å; V47-A50 PolarHBondContact O-N 3.12Å; K48-A50 VanDerWaalsContact C-N 3.32Å; K48-A50 PolarHBondContact O-N 3.27Å; A50-Q52 VanDerWaalsContact C-N 3.32Å; A50-Q52 PolarHBondContact O-N 2.88Å; A50-F53 PolarHBondContact O-N 3.24Å; A50-N54 PolarHBondContact O-N 3.05Å; A50-Y55 PolarHBondContact O-N 2.79Å; A50-L109 HydrophobicContact CB-CD1 3.82Å
51	A	96.4	Very high	97	Very high	62 Å²	62	45.4 Å²	45.4	51%	0.512	24%	0.237	S	C	.	.	H	α-helix	trans	-61.3	-41.1	177.8	0	0	0	0	0	111.7	V47 K48 F53 N54	V47-A51 WeakPolarHBondContact O-CB 3.45Å; V47-A51 PolarHBondContact O-N 3Å; K48-A51 PolarHBondContact O-N 3.45Å; A51-F53 PolarHBondContact O-N 3.28Å; A51-N54 PolarHBondContact O-N 2.95Å; A51-N54 PolarHBondContact O-OD1 3.12Å
52	Q	94.7	Very high	97.1	Very high	72 Å²	72	48.4 Å²	48.4	34%	0.336	25%	0.253	S	S	.	.	H	α-helix	trans	-58.7	-33.3	179.4	-178.8	172.7	-3	0	0	113.9	K48 A50 T262	K48-Q52 WeakPolarHBondContact O-CB 3.27Å; K48-Q52 PolarHBondContact O-N 2.97Å; A50-Q52 VanDerWaalsContact C-N 3.32Å; A50-Q52 PolarHBondContact O-N 2.88Å; Q52-T262 PolarHBondContact NE2-OG1 3.48Å; Q52-T262 PolarHBondContact OE1-OG1 2.85Å
53	F	96.5	Very high	96.9	Very high	44 Å²	44	51.8 Å²	51.8	19%	0.193	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	7.6	177.4	-70.3	-61.9	0	0	0	113.5	T49 A50 A51 Y55 L109 P113 P261	T49-F53 VanDerWaalsContact O-CD2 3.28Å; T49-F53 WeakPolarHBondContact O-CD2 3.16Å; A50-F53 PolarHBondContact O-N 3.24Å; A51-F53 PolarHBondContact O-N 3.28Å; F53-Y55 VanDerWaalsContact C-N 3.32Å; F53-Y55 HydrophobicContact CB-CD2 3.61Å; F53-Y55 HydrophobicContact CB-CE2 3.56Å; F53-Y55 HydrophobicContact CD2-CE2 4.28Å; F53-Y55 HydrophobicContact CG-CE2 4.22Å; F53-Y55 PolarHBondContact O-N 3.27Å; F53-L109 HydrophobicContact CD2-CB 4.36Å; F53-L109 WeakPolarHBondContact CE2-O 3.29Å; F53-P113 VanDerWaalsContact O-CD 3.28Å; F53-P113 WeakPolarHBondContact O-CD 3.2Å; F53-P261 HydrophobicContact CE2-CB 3.85Å; F53-P261 HydrophobicContact CE2-CG 3.69Å; F53-P261 HydrophobicContact CZ-CB 3.63Å; F53-P261 HydrophobicContact CZ-CG 3.88Å
54	N	96.9	Very high	96.8	Very high	143 Å²	143	55.5 Å²	55.5	77%	0.765	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	40.5	-176.7	-57.2	-49.5	0	0	0	113.5	A50 A51	A50-N54 PolarHBondContact O-N 3.05Å; A51-N54 PolarHBondContact O-N 2.95Å; A51-N54 PolarHBondContact O-OD1 3.12Å
55	Y	97.8	Very high	96.6	Very high	16 Å²	16	56.1 Å²	56.1	6%	0.063	31%	0.313	C	S	.	.			trans	-71.7	136	171.1	-79.2	-80.8	0	0	0	111.2	L30 V32 A50 F53 L57 L109 A111 G112 P113 L116	L30-Y55 HydrophobicContact CD2-CD1 3.89Å; L30-Y55 HydrophobicContact CD2-CE1 3.7Å; V32-Y55 HydrophobicContact CG2-CD1 3.39Å; V32-Y55 HydrophobicContact CG2-CE1 4.11Å; V32-Y55 HydrophobicContact CG2-CG 4.02Å; A50-Y55 PolarHBondContact O-N 2.79Å; F53-Y55 VanDerWaalsContact C-N 3.32Å; F53-Y55 HydrophobicContact CB-CD2 3.61Å; F53-Y55 HydrophobicContact CB-CE2 3.56Å; F53-Y55 HydrophobicContact CD2-CE2 4.28Å; F53-Y55 HydrophobicContact CG-CE2 4.22Å; F53-Y55 PolarHBondContact O-N 3.27Å; Y55-L57 PolarHBondContact O-N 3.28Å; Y55-L109 HydrophobicContact CD2-CD1 3.62Å; Y55-L109 HydrophobicContact CE2-CB 4.41Å; Y55-L109 HydrophobicContact CE2-CD1 3.75Å; Y55-L109 HydrophobicContact CG-CD1 4.2Å; Y55-A111 VanDerWaalsContact CE2-O 3.28Å; Y55-A111 WeakPolarHBondContact CE2-O 3.41Å; Y55-A111 PolarHBondContact OH-O 3.34Å; Y55-G112 PolarHBondContact OH-O 3.42Å; Y55-P113 HydrophobicContact CD1-CG 3.78Å; Y55-P113 HydrophobicContact CD2-CG 4.5Å; Y55-P113 HydrophobicContact CE1-CB 4.18Å; Y55-P113 HydrophobicContact CE1-CG 3.71Å; Y55-P113 HydrophobicContact CE2-CG 4.43Å; Y55-P113 HydrophobicContact CG-CG 4.21Å; Y55-L116 HydrophobicContact CE1-CD2 3.83Å
56	S	96.9	Very high	96.5	Very high	72 Å²	72	58.7 Å²	58.7	50%	0.503	32%	0.323	S	S	.	.			trans	-75.4	112.8	166.7	-175.2	0	0	0	0	109.3	V32	V32-S56 PolarHBondContact N-O 3.09Å
57	L	97.4	Very high	96.3	Very high	53 Å²	53	64.1 Å²	64.1	28%	0.277	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	131.4	-173.1	-175.5	66.2	0	0	0	112	V32 T34 F46 V47 Y55 V59	V32-L57 HydrophobicContact CB-CD1 4.08Å; V32-L57 HydrophobicContact CG1-CD1 3.87Å; V32-L57 CarbonylContact O-C 3.23Å; V32-L57 WeakPolarHBondContact O-CA 3.25Å; T34-L57 HydrophobicContact CG2-CD1 4.02Å; F46-L57 HydrophobicContact CE1-CD1 3.71Å; F46-L57 HydrophobicContact CE1-CD2 3.92Å; F46-L57 HydrophobicContact CE1-CG 4.5Å; F46-L57 HydrophobicContact CZ-CD1 3.99Å; V47-L57 HydrophobicContact CG2-CD2 3.96Å; Y55-L57 PolarHBondContact O-N 3.28Å; L57-V59 HydrophobicContact CD2-CG2 3.91Å; L57-V59 HydrophobicContact CG-CG2 4.02Å
58	K	98	Very high	95.9	Very high	81 Å²	81	61.8 Å²	61.8	35%	0.352	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	115.9	168.6	178.3	64.8	173.3	179.5	0	109.8	L31 V32 I33 T34 L60 E87	L31-K58 HydrophobicContact CD1-CB 4.05Å; V32-K58 PolarHBondContact O-N 3.11Å; I33-K58 WeakPolarHBondContact CA-O 3.35Å; I33-K58 HydrophobicContact CG1-CB 4.24Å; T34-K58 PolarHBondContact N-O 2.95Å; K58-L60 HydrophobicContact CG-CD2 3.99Å; K58-E87 HydrophobicContact CG-CG 4.29Å
59	V	98.2	Very high	95.5	Very high	42 Å²	42	59.1 Å²	59.1	26%	0.255	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.9	178	-173.3	0	0	0	0	109.3	T34 A36 F43 L57 L62	T34-V59 HydrophobicContact CG2-CB 4.49Å; T34-V59 HydrophobicContact CG2-CG1 4.37Å; T34-V59 HydrophobicContact CG2-CG2 4.12Å; A36-V59 HydrophobicContact CB-CG1 3.92Å; F43-V59 HydrophobicContact CE2-CG1 3.85Å; F43-V59 HydrophobicContact CE2-CG2 4.02Å; F43-V59 HydrophobicContact CZ-CG1 3.93Å; F43-V59 HydrophobicContact CZ-CG2 3.86Å; L57-V59 HydrophobicContact CD2-CG2 3.91Å; L57-V59 HydrophobicContact CG-CG2 4.02Å; V59-L62 HydrophobicContact CG1-CB 4.44Å
60	L	98	Very high	95	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.079	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	139.9	179.7	-54.4	-177.9	0	0	0	110.9	I33 T34 A35 A36 K58 W83 L84 E87	I33-L60 HydrophobicContact CG2-CD1 3.49Å; I33-L60 VanDerWaalsContact CG2-CD1 3.49Å; I33-L60 HydrophobicContact CG2-CD2 4.47Å; I33-L60 HydrophobicContact CG2-CG 3.8Å; T34-L60 PolarHBondContact O-N 2.8Å; A35-L60 WeakPolarHBondContact CA-O 3.31Å; A36-L60 PolarHBondContact N-O 3.29Å; A36-L60 VanDerWaalsContact O-O 3.11Å; K58-L60 HydrophobicContact CG-CD2 3.99Å; L60-W83 HydrophobicContact CB-CB 4.05Å; L60-W83 HydrophobicContact CD1-CB 3.99Å; L60-L84 HydrophobicContact CD1-CB 4.4Å; L60-L84 HydrophobicContact CD1-CD1 4.49Å; L60-E87 HydrophobicContact CD1-CB 4.23Å; L60-E87 HydrophobicContact CD2-CB 4.02Å; L60-E87 HydrophobicContact CD2-CG 4.09Å
61	G	96.1	Very high	94.3	Very high	9 Å²	9	66.1 Å²	66.1	9%	0.093	37%	0.37	C	S	.	.	S	Bend	trans	82.9	6.7	171.9	0	0	0	0	0	116.1	A36 T37 G63 E64	A36-G61 CarbonylContact O-C 3.47Å; T37-G61 WeakPolarHBondContact CA-O 3.44Å; G61-G63 PolarHBondContact O-N 3.48Å; G61-E64 VanDerWaalsContact O-CB 3.31Å; G61-E64 WeakPolarHBondContact O-CB 3.37Å; G61-E64 PolarHBondContact O-N 2.97Å
62	L	95.8	Very high	93.4	Very high	86 Å²	86	67.7 Å²	67.7	45%	0.45	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.1	125.4	-177.3	-165.1	71.5	0	0	0	111	A36 E39 V59 E64	A36-L62 WeakPolarHBondContact O-CA 3.48Å; A36-L62 PolarHBondContact O-N 2.92Å; E39-L62 HydrophobicContact CG-CD1 4.16Å; V59-L62 HydrophobicContact CG1-CB 4.44Å; L62-E64 VanDerWaalsContact C-N 3.25Å; L62-E64 PolarHBondContact O-N 3.32Å
63	G	93.8	Very high	92.5	Very high	74 Å²	74	74.2 Å²	74.2	76%	0.763	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.6	-3	-174.2	0	0	0	0	0	114.7	T37 G61	T37-G63 PolarHBondContact O-N 2.85Å; G61-G63 PolarHBondContact O-N 3.48Å
64	E	95.1	Very high	92.1	Very high	92 Å²	92	75.9 Å²	75.9	43%	0.43	42%	0.419	S	S	.	.	S	Bend	trans	-84.9	149.1	170.6	-63.1	-170.9	-156.5	0	0	111.4	T37 G61 L62 W83	T37-E64 WeakPolarHBondContact CB-O 3.49Å; T37-E64 WeakPolarHBondContact CG2-O 3.19Å; G61-E64 VanDerWaalsContact O-CB 3.31Å; G61-E64 WeakPolarHBondContact O-CB 3.37Å; G61-E64 PolarHBondContact O-N 2.97Å; L62-E64 VanDerWaalsContact C-N 3.25Å; L62-E64 PolarHBondContact O-N 3.32Å; E64-W83 HydrophobicContact CB-CZ2 3.92Å; E64-W83 HydrophobicContact CG-CZ2 4.45Å; E64-W83 VanDerWaalsContact OE2-CE2 3.29Å; E64-W83 VanDerWaalsContact OE2-CZ2 3.22Å; E64-W83 WeakPolarHBondContact OE2-CZ2 3.19Å; E64-W83 PolarHBondContact OE2-NE1 2.81Å
65	E	93.6	Very high	91.7	Very high	141 Å²	141	72.4 Å²	72.4	66%	0.659	40%	0.402	S	S	*	.			trans	-67.1	133.9	172.9	-174.1	-171	-171.1	0	0	111.1	K67 Q79	E65-K67 PolarHBondContact O-N 3.02Å; E65-K67 WeakPolarHBondContact OE2-CE 3.43Å; E65-K67 IonicContact OE2-NZ 3.4Å; E65-Q79 PolarHBondContact O-NE2 3.07Å
66	W	94.3	Very high	91.5	Very high	85 Å²	85	71.7 Å²	71.7	32%	0.322	40%	0.4	S	S	.	.			trans	-74.6	114.7	174.1	-179.1	-107.1	0	0	0	111.5	T37 G68 G69 V71 Q79 K80 W83	T37-W66 HydrophobicContact CG2-CB 4Å; T37-W66 HydrophobicContact CG2-CE3 3.92Å; W66-G68 VanDerWaalsContact CE2-CA 3.48Å; W66-G69 PolarHBondContact NE1-O 2.86Å; W66-V71 HydrophobicContact CZ2-CG1 3.81Å; W66-V71 HydrophobicContact CZ2-CG2 4.17Å; W66-Q79 VanDerWaalsContact CE3-OE1 3.28Å; W66-Q79 HydrophobicContact CZ3-CB 4.37Å; W66-K80 HydrophobicContact CH2-CD 4.24Å; W66-K80 HydrophobicContact CH2-CG 3.89Å; W66-K80 HydrophobicContact CZ3-CG 3.98Å; W66-W83 HydrophobicContact CE3-CH2 4.34Å; W66-W83 HydrophobicContact CE3-CZ3 4.35Å; W66-W83 HydrophobicContact CZ3-CZ3 4.13Å
67	K	94.2	Very high	91.4	Very high	115 Å²	115	68.2 Å²	68.2	50%	0.5	38%	0.376	S	S	.	.			trans	-112.2	7.2	177.3	-62.5	179.1	-177	176.7	0	112.5	E65 G69 D178	E65-K67 PolarHBondContact O-N 3.02Å; E65-K67 WeakPolarHBondContact OE2-CE 3.43Å; E65-K67 IonicContact OE2-NZ 3.4Å; K67-G69 PolarHBondContact O-N 3Å; K67-D178 HydrophobicContact CB-CB 4.08Å
68	G	89.4	Confident	91.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-75.3	-0.1	-178.2	0	0	0	0	0	115.8	W66 G76 G77 D178	W66-G68 VanDerWaalsContact CE2-CA 3.48Å; G68-G76 CarbonylContact O-C 3.49Å; G68-G76 VanDerWaalsContact O-CA 3.26Å; G68-G76 WeakPolarHBondContact O-CA 3.2Å; G68-G77 PolarHBondContact O-N 2.87Å; G68-D178 WeakPolarHBondContact CA-O 3.39Å
69	G	88.6	Confident	91.3	Very high	33 Å²	33	62 Å²	62	34%	0.34	35%	0.346	S	S	.	.			trans	83	178.7	-176.5	0	0	0	0	0	113.5	W66 K67 V71	W66-G69 PolarHBondContact NE1-O 2.86Å; K67-G69 PolarHBondContact O-N 3Å; G69-V71 PolarHBondContact O-N 2.73Å
70	D	85.2	Confident	91.2	Very high	75 Å²	75	61 Å²	61	40%	0.401	34%	0.339	S	S	.	.			trans	-81.6	84.7	177.2	-175.3	-9.7	0	0	0	110.1	A72 R73 T74	D70-A72 PolarHBondContact O-N 3.35Å; D70-A72 PolarHBondContact OD1-N 3.05Å; D70-R73 PolarHBondContact O-N 3.05Å; D70-R73 PolarHBondContact OD1-N 2.67Å; D70-R73 VanDerWaalsContact OD2-CD 3.24Å; D70-R73 WeakPolarHBondContact OD2-CD 3.43Å; D70-R73 WeakPolarHBondContact OD2-CG 3.47Å; D70-T74 WeakPolarHBondContact O-CA 3.36Å; D70-T74 PolarHBondContact O-N 3.21Å; D70-T74 PolarHBondContact O-OG1 3.35Å
71	V	82.7	Confident	91.2	Very high	79 Å²	79	60.4 Å²	60.4	48%	0.479	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-12.5	-179.4	-66.6	0	0	0	0	113.7	W66 G69	W66-V71 HydrophobicContact CZ2-CG1 3.81Å; W66-V71 HydrophobicContact CZ2-CG2 4.17Å; G69-V71 PolarHBondContact O-N 2.73Å
72	A	77.9	Confident	91.3	Very high	95 Å²	95	62.9 Å²	62.9	79%	0.785	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-30.5	173.2	0	0	0	0	0	111.3	D70	D70-A72 PolarHBondContact O-N 3.35Å; D70-A72 PolarHBondContact OD1-N 3.05Å
73	R	77.1	Confident	91.4	Very high	208 Å²	208	59.2 Å²	59.2	79%	0.785	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.2	-28.8	-176.9	-64	-171.2	167.8	167.5	-6.8	114.7	D70	D70-R73 PolarHBondContact O-N 3.05Å; D70-R73 PolarHBondContact OD1-N 2.67Å; D70-R73 VanDerWaalsContact OD2-CD 3.24Å; D70-R73 WeakPolarHBondContact OD2-CD 3.43Å; D70-R73 WeakPolarHBondContact OD2-CG 3.47Å
74	T	87.4	Confident	91.5	Very high	80 Å²	80	55.7 Å²	55.7	49%	0.491	29%	0.286	S	S	.	.	S	Bend	trans	-141.8	-179.8	-168.7	60.2	0	0	0	0	112.5	D70	D70-T74 WeakPolarHBondContact O-CA 3.36Å; D70-T74 PolarHBondContact O-N 3.21Å; D70-T74 PolarHBondContact O-OG1 3.35Å
75	V	88.7	Confident	91.7	Very high	69 Å²	69	53.9 Å²	53.9	42%	0.418	28%	0.277	S	S	.	.	S	Bend	trans	-65.7	153.8	173	-66.2	0	0	0	0	112.2	W136 P137 D181	V75-W136 HydrophobicContact CB-CH2 4.22Å; V75-W136 HydrophobicContact CB-CZ2 4.45Å; V75-W136 HydrophobicContact CG1-CH2 3.71Å; V75-W136 HydrophobicContact CG1-CZ2 3.62Å; V75-P137 HydrophobicContact CG1-CB 3.65Å; V75-P137 HydrophobicContact CG1-CG 4.12Å; V75-D181 HydrophobicContact CB-CB 4.04Å; V75-D181 VanDerWaalsContact CB-OD2 3.3Å; V75-D181 WeakPolarHBondContact CB-OD2 3.49Å
76	G	93.8	Very high	91.8	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.01	27%	0.269	C	S	.	.			trans	161.1	-152.4	177.7	0	0	0	0	0	114.2	G68 G78 D180 D181 D182	G68-G76 CarbonylContact O-C 3.49Å; G68-G76 VanDerWaalsContact O-CA 3.26Å; G68-G76 WeakPolarHBondContact O-CA 3.2Å; G76-G78 PolarHBondContact O-N 3.09Å; G76-D180 CarbonylContact C-O 3.15Å; G76-D181 PolarHBondContact N-OD2 3.12Å; G76-D181 WeakPolarHBondContact O-CA 3.09Å; G76-D182 PolarHBondContact O-N 3.15Å; G76-D182 VanDerWaalsContact O-N 3.11Å; G76-D182 VanDerWaalsContact O-OD1 3.09Å
77	G	93.4	Very high	91.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	26%	0.257	C	S	.	.	B	Isolated β-bridge	trans	86	0.2	174.8	0	0	0	0	0	115.6	G68 Q79 K80	G68-G77 PolarHBondContact O-N 2.87Å; G77-Q79 PolarHBondContact O-N 2.96Å; G77-Q79 VanDerWaalsContact O-N 3.07Å; G77-K80 VanDerWaalsContact O-CB 3.26Å; G77-K80 WeakPolarHBondContact O-CB 3.4Å; G77-K80 WeakPolarHBondContact O-CG 3.38Å; G77-K80 PolarHBondContact O-N 2.82Å
78	G	96.1	Very high	92	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-54.2	-27.7	177.9	0	0	0	0	0	115.2	G76 K80 V81 R82 W174 D178 D180	G76-G78 PolarHBondContact O-N 3.09Å; G78-K80 PolarHBondContact O-N 3Å; G78-V81 WeakPolarHBondContact O-CB 3.17Å; G78-V81 PolarHBondContact O-N 2.91Å; G78-R82 PolarHBondContact O-N 3.15Å; G78-W174 WeakPolarHBondContact O-CZ2 3.43Å; G78-D178 CarbonylContact C-O 3.55Å; G78-D178 WeakPolarHBondContact CA-O 3.33Å; G78-D178 PolarHBondContact N-O 2.84Å; G78-D178 VanDerWaalsContact N-O 3.12Å; G78-D180 WeakPolarHBondContact CA-O 3.26Å; G78-D180 PolarHBondContact N-O 3.44Å
79	Q	97.1	Very high	92.2	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	25%	0.249	C	C	.	.	H	α-helix	trans	-54.4	-37.5	172.1	-166	176.6	13.5	0	0	112	E65 W66 G77 V81 R82 W83 D178	E65-Q79 PolarHBondContact O-NE2 3.07Å; W66-Q79 VanDerWaalsContact CE3-OE1 3.28Å; W66-Q79 HydrophobicContact CZ3-CB 4.37Å; G77-Q79 PolarHBondContact O-N 2.96Å; G77-Q79 VanDerWaalsContact O-N 3.07Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-V81 PolarHBondContact O-N 2.9Å; Q79-R82 PolarHBondContact O-N 3.26Å; Q79-W83 HydrophobicContact CG-CD2 4.02Å; Q79-W83 HydrophobicContact CG-CE3 4.07Å; Q79-W83 HydrophobicContact CG-CH2 3.64Å; Q79-W83 HydrophobicContact CG-CZ2 3.63Å; Q79-W83 HydrophobicContact CG-CZ3 3.88Å; Q79-W83 VanDerWaalsContact NE2-CH2 3.34Å; Q79-W83 PolarHBondContact O-N 3.2Å; Q79-D178 HydrophobicContact CB-CB 3.96Å; Q79-D178 HydrophobicContact CG-CB 4.33Å; Q79-D178 PolarHBondContact N-O 2.74Å
80	K	97.1	Very high	92.6	Very high	22 Å²	22	51.7 Å²	51.7	10%	0.096	26%	0.263	C	S	.	.	H	α-helix	trans	-60.4	-43.4	175.1	-59.4	-174.6	-63.1	176.1	0	111	A35 W66 G77 G78 W83 L84 F101 D103 D182	A35-K80 HydrophobicContact CB-CB 4.26Å; A35-K80 HydrophobicContact CB-CD 4.06Å; A35-K80 HydrophobicContact CB-CG 3.75Å; W66-K80 HydrophobicContact CH2-CD 4.24Å; W66-K80 HydrophobicContact CH2-CG 3.89Å; W66-K80 HydrophobicContact CZ3-CG 3.98Å; G77-K80 VanDerWaalsContact O-CB 3.26Å; G77-K80 WeakPolarHBondContact O-CB 3.4Å; G77-K80 WeakPolarHBondContact O-CG 3.38Å; G77-K80 PolarHBondContact O-N 2.82Å; G78-K80 PolarHBondContact O-N 3Å; K80-W83 PolarHBondContact O-N 2.89Å; K80-L84 WeakPolarHBondContact O-CB 3.36Å; K80-L84 PolarHBondContact O-N 3.12Å; K80-F101 HydrophobicContact CB-CZ 4.24Å; K80-F101 HydrophobicContact CD-CZ 4.39Å; K80-D103 IonicContact NZ-OD1 3.41Å; K80-D103 PolarHBondContact NZ-OD1 3.12Å; K80-D103 IonicContact NZ-OD2 3.97Å; K80-D103 PolarHBondContact NZ-OD2 3.38Å; K80-D182 WeakPolarHBondContact CE-OD2 3.49Å; K80-D182 IonicContact NZ-OD2 3.5Å; K80-D182 PolarHBondContact NZ-OD2 3.16Å
81	V	97.7	Very high	92.9	Very high	2 Å²	2	50.7 Å²	50.7	1%	0.012	26%	0.255	C	S	.	.	H	α-helix	trans	-66.9	-38.8	179.4	-171	0	0	0	0	111	G78 Q79 L84 K85 W174 D182 F185 Y186	G78-V81 WeakPolarHBondContact O-CB 3.17Å; G78-V81 PolarHBondContact O-N 2.91Å; Q79-V81 VanDerWaalsContact C-N 3.33Å; Q79-V81 PolarHBondContact O-N 2.9Å; V81-L84 PolarHBondContact O-N 3.5Å; V81-K85 VanDerWaalsContact O-CB 3.27Å; V81-K85 WeakPolarHBondContact O-CB 3.26Å; V81-K85 PolarHBondContact O-N 3.43Å; V81-W174 HydrophobicContact CB-CD2 3.84Å; V81-W174 HydrophobicContact CB-CE3 3.87Å; V81-W174 HydrophobicContact CB-CG 4.26Å; V81-W174 HydrophobicContact CB-CZ3 4.25Å; V81-W174 HydrophobicContact CG1-CB 3.81Å; V81-W174 HydrophobicContact CG1-CD2 3.66Å; V81-W174 HydrophobicContact CG1-CE3 3.63Å; V81-W174 HydrophobicContact CG1-CG 3.76Å; V81-W174 HydrophobicContact CG1-CZ3 4.42Å; V81-W174 HydrophobicContact CG2-CE3 4.21Å; V81-W174 HydrophobicContact CG2-CZ3 4.18Å; V81-D182 HydrophobicContact CG2-CB 3.56Å; V81-F185 HydrophobicContact CG1-CD1 4.02Å; V81-F185 HydrophobicContact CG1-CE1 3.73Å; V81-F185 HydrophobicContact CG1-CZ 4.46Å; V81-F185 HydrophobicContact CG2-CD1 4.5Å; V81-Y186 HydrophobicContact CG2-CE2 3.87Å
82	R	97.7	Very high	93.1	Very high	61 Å²	61	49 Å²	49	23%	0.23	25%	0.247	C	C	.	.	H	α-helix	trans	-61.5	-51.5	174.8	-179.6	178.1	57.1	70.3	-3.1	111.6	G78 Q79 L84 K85 E86 D178	G78-R82 PolarHBondContact O-N 3.15Å; Q79-R82 PolarHBondContact O-N 3.26Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 2.87Å; R82-K85 WeakPolarHBondContact O-CB 3.35Å; R82-K85 PolarHBondContact O-N 3.45Å; R82-E86 IonicContact NH1-OE1 3.45Å; R82-E86 PolarHBondContact NH1-OE1 3.28Å; R82-E86 PolarHBondContact O-N 3.3Å; R82-E86 VanDerWaalsContact O-N 3.11Å; R82-D178 WeakPolarHBondContact CD-OD1 3.32Å; R82-D178 IonicContact CZ-OD1 2.81Å; R82-D178 IonicContact CZ-OD2 3.46Å; R82-D178 IonicContact NE-OD1 2.85Å; R82-D178 PolarHBondContact NE-OD1 2.72Å; R82-D178 IonicContact NE-OD2 3.8Å; R82-D178 PolarHBondContact NE-OD2 2.98Å; R82-D178 IonicContact NH2-OD1 3.61Å; R82-D178 IonicContact NH2-OD2 2.7Å; R82-D178 PolarHBondContact NH2-OD2 3.41Å
83	W	97.8	Very high	93.7	Very high	9 Å²	9	53 Å²	53	3%	0.034	25%	0.25	C	C	.	.	H	α-helix	trans	-62	-43	177.3	-68	-44.6	0	0	0	111.9	A35 T37 L60 E64 W66 Q79 K80 K85 E86 E87	A35-W83 HydrophobicContact CB-CE3 4.27Å; A35-W83 HydrophobicContact CB-CZ3 4.37Å; T37-W83 HydrophobicContact CG2-CH2 3.75Å; T37-W83 HydrophobicContact CG2-CZ3 4.39Å; L60-W83 HydrophobicContact CB-CB 4.05Å; L60-W83 HydrophobicContact CD1-CB 3.99Å; E64-W83 HydrophobicContact CB-CZ2 3.92Å; E64-W83 HydrophobicContact CG-CZ2 4.45Å; E64-W83 VanDerWaalsContact OE2-CE2 3.29Å; E64-W83 VanDerWaalsContact OE2-CZ2 3.22Å; E64-W83 WeakPolarHBondContact OE2-CZ2 3.19Å; E64-W83 PolarHBondContact OE2-NE1 2.81Å; W66-W83 HydrophobicContact CE3-CH2 4.34Å; W66-W83 HydrophobicContact CE3-CZ3 4.35Å; W66-W83 HydrophobicContact CZ3-CZ3 4.13Å; Q79-W83 HydrophobicContact CG-CD2 4.02Å; Q79-W83 HydrophobicContact CG-CE3 4.07Å; Q79-W83 HydrophobicContact CG-CH2 3.64Å; Q79-W83 HydrophobicContact CG-CZ2 3.63Å; Q79-W83 HydrophobicContact CG-CZ3 3.88Å; Q79-W83 VanDerWaalsContact NE2-CH2 3.34Å; Q79-W83 PolarHBondContact O-N 3.2Å; K80-W83 PolarHBondContact O-N 2.89Å; W83-K85 VanDerWaalsContact C-N 3.28Å; W83-K85 PolarHBondContact O-N 3.18Å; W83-E86 PolarHBondContact O-N 2.81Å; W83-E87 PolarHBondContact O-N 3.25Å
84	L	97.7	Very high	94.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.229	C	C	.	.	H	α-helix	trans	-62.2	-37.9	178.1	-178.1	63.2	0	0	0	111.7	I33 L60 K80 V81 R82 E87 L88 F101 F160 V171	I33-L84 HydrophobicContact CB-CD1 4.25Å; I33-L84 HydrophobicContact CD1-CD1 3.97Å; I33-L84 HydrophobicContact CG2-CD1 3.79Å; L60-L84 HydrophobicContact CD1-CB 4.4Å; L60-L84 HydrophobicContact CD1-CD1 4.49Å; K80-L84 WeakPolarHBondContact O-CB 3.36Å; K80-L84 PolarHBondContact O-N 3.12Å; V81-L84 PolarHBondContact O-N 3.5Å; R82-L84 VanDerWaalsContact C-N 3.34Å; R82-L84 PolarHBondContact O-N 2.87Å; L84-E87 PolarHBondContact O-N 3Å; L84-L88 HydrophobicContact CD1-CD1 3.81Å; L84-L88 HydrophobicContact CD1-CG 3.83Å; L84-L88 HydrophobicContact CD2-CD1 4.24Å; L84-L88 HydrophobicContact CG-CD1 3.74Å; L84-L88 HydrophobicContact CG-CG 4.16Å; L84-L88 VanDerWaalsContact O-CB 3.32Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.28Å; L84-F101 HydrophobicContact CD1-CD2 3.84Å; L84-F101 HydrophobicContact CD1-CE2 4.44Å; L84-F101 HydrophobicContact CD2-CB 4.35Å; L84-F101 HydrophobicContact CD2-CD2 3.78Å; L84-F101 HydrophobicContact CD2-CE2 4.26Å; L84-F101 HydrophobicContact CD2-CG 4.02Å; L84-F101 HydrophobicContact CG-CD2 4.32Å; L84-F160 HydrophobicContact CD2-CE2 4.12Å; L84-F160 HydrophobicContact CD2-CZ 3.6Å; L84-V171 HydrophobicContact CD2-CG1 4Å; L84-V171 HydrophobicContact CG-CG1 4.3Å
85	K	97.5	Very high	94.3	Very high	54 Å²	54	47.3 Å²	47.3	24%	0.235	23%	0.228	C	C	.	.	H	α-helix	trans	-60.2	-48.1	173.1	174.4	-174.3	177.3	176.5	0	111.7	V81 R82 W83 E87 L89 V171 W174	V81-K85 VanDerWaalsContact O-CB 3.27Å; V81-K85 WeakPolarHBondContact O-CB 3.26Å; V81-K85 PolarHBondContact O-N 3.43Å; R82-K85 WeakPolarHBondContact O-CB 3.35Å; R82-K85 PolarHBondContact O-N 3.45Å; W83-K85 VanDerWaalsContact C-N 3.28Å; W83-K85 PolarHBondContact O-N 3.18Å; K85-E87 VanDerWaalsContact C-N 3.28Å; K85-E87 PolarHBondContact O-N 3.2Å; K85-L89 HydrophobicContact CG-CD1 4.12Å; K85-L89 WeakPolarHBondContact O-CD1 3.45Å; K85-L89 WeakPolarHBondContact O-CG 3.43Å; K85-L89 PolarHBondContact O-N 3.33Å; K85-V171 HydrophobicContact CB-CB 4.11Å; K85-V171 HydrophobicContact CB-CG2 3.95Å; K85-V171 HydrophobicContact CG-CG2 4.37Å; K85-W174 HydrophobicContact CD-CB 4.42Å; K85-W174 PolarHBondContact NZ-O 3.2Å
86	E	96.3	Very high	94.3	Very high	104 Å²	104	46.8 Å²	46.8	49%	0.486	22%	0.222	S	C	.	.	H	α-helix	trans	-61.2	-37.7	178.6	-69.9	169	-159.6	0	0	112	R82 W83	R82-E86 IonicContact NH1-OE1 3.45Å; R82-E86 PolarHBondContact NH1-OE1 3.28Å; R82-E86 PolarHBondContact O-N 3.3Å; R82-E86 VanDerWaalsContact O-N 3.11Å; W83-E86 PolarHBondContact O-N 2.81Å
87	E	97.2	Very high	94.4	Very high	15 Å²	15	47.6 Å²	47.6	7%	0.07	23%	0.225	C	C	.	.	H	α-helix	trans	-75.4	-48.4	178.5	-173.8	60.8	-160.1	0	0	112.8	I33 K58 L60 W83 L84 K85 L89 K90 H91	I33-E87 HydrophobicContact CD1-CG 4.05Å; K58-E87 HydrophobicContact CG-CG 4.29Å; L60-E87 HydrophobicContact CD1-CB 4.23Å; L60-E87 HydrophobicContact CD2-CB 4.02Å; L60-E87 HydrophobicContact CD2-CG 4.09Å; W83-E87 PolarHBondContact O-N 3.25Å; L84-E87 PolarHBondContact O-N 3Å; K85-E87 VanDerWaalsContact C-N 3.28Å; K85-E87 PolarHBondContact O-N 3.2Å; E87-L89 VanDerWaalsContact C-N 3.26Å; E87-L89 PolarHBondContact O-N 3.1Å; E87-K90 VanDerWaalsContact O-CB 3.31Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.36Å; E87-K90 IonicContact OE2-NZ 2.73Å; E87-K90 PolarHBondContact OE2-NZ 2.95Å; E87-H91 PolarHBondContact O-CD2 2.83Å; E87-H91 IonicContact OE1-CD2 3.51Å; E87-H91 IonicContact OE1-NE2 3.74Å; E87-H91 PolarHBondContact OE1-NE2 2.94Å
88	L	95.6	Very high	94.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.7	-27	-176.7	-78.2	179.1	0	0	0	113.3	I33 L84 K90 H91 S92 V99 L167 A168 V171	I33-L88 HydrophobicContact CD1-CD2 4.14Å; L84-L88 HydrophobicContact CD1-CD1 3.81Å; L84-L88 HydrophobicContact CD1-CG 3.83Å; L84-L88 HydrophobicContact CD2-CD1 4.24Å; L84-L88 HydrophobicContact CG-CD1 3.74Å; L84-L88 HydrophobicContact CG-CG 4.16Å; L84-L88 VanDerWaalsContact O-CB 3.32Å; L84-L88 WeakPolarHBondContact O-CB 3.38Å; L84-L88 WeakPolarHBondContact O-CG 3.34Å; L84-L88 PolarHBondContact O-N 3.28Å; L88-K90 PolarHBondContact O-N 2.86Å; L88-H91 CarbonylContact O-C 3.49Å; L88-H91 PolarHBondContact O-N 2.83Å; L88-S92 PolarHBondContact O-N 2.83Å; L88-S92 VanDerWaalsContact O-N 3.16Å; L88-V99 HydrophobicContact CD2-CB 4.25Å; L88-V99 HydrophobicContact CD2-CG1 4.08Å; L88-V99 HydrophobicContact CD2-CG2 3.88Å; L88-L167 HydrophobicContact CD1-CB 3.72Å; L88-A168 HydrophobicContact CB-CB 4.15Å; L88-V171 HydrophobicContact CB-CG2 4.2Å; L88-V171 HydrophobicContact CD1-CG1 4.19Å; L88-V171 HydrophobicContact CD1-CG2 3.87Å
89	L	94.5	Very high	94.8	Very high	67 Å²	67	47.7 Å²	47.7	35%	0.351	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-63.7	-22.7	174	-74.3	172	0	0	0	112.9	K85 E87 H91 S92 Q172	K85-L89 HydrophobicContact CG-CD1 4.12Å; K85-L89 WeakPolarHBondContact O-CD1 3.45Å; K85-L89 WeakPolarHBondContact O-CG 3.43Å; K85-L89 PolarHBondContact O-N 3.33Å; E87-L89 VanDerWaalsContact C-N 3.26Å; E87-L89 PolarHBondContact O-N 3.1Å; L89-H91 PolarHBondContact O-N 3.41Å; L89-S92 PolarHBondContact O-OG 3.28Å; L89-Q172 HydrophobicContact CD2-CG 4.45Å
90	K	95.4	Very high	94.9	Very high	142 Å²	142	47.6 Å²	47.6	62%	0.617	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-72.4	-22.4	174.2	-57	172.1	-169.9	165.2	0	112.3	E87 L88	E87-K90 VanDerWaalsContact O-CB 3.31Å; E87-K90 WeakPolarHBondContact O-CB 3.37Å; E87-K90 PolarHBondContact O-N 3.36Å; E87-K90 IonicContact OE2-NZ 2.73Å; E87-K90 PolarHBondContact OE2-NZ 2.95Å; L88-K90 PolarHBondContact O-N 2.86Å
91	H	91.4	Very high	94.9	Very high	53 Å²	53	46.8 Å²	46.8	25%	0.245	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-114.3	13.1	-174.7	-55.1	-73.8	0	0	0	112.4	E87 L88 L89 E93 D94 L97 S164	E87-H91 PolarHBondContact O-CD2 2.83Å; E87-H91 IonicContact OE1-CD2 3.51Å; E87-H91 IonicContact OE1-NE2 3.74Å; E87-H91 PolarHBondContact OE1-NE2 2.94Å; L88-H91 CarbonylContact O-C 3.49Å; L88-H91 PolarHBondContact O-N 2.83Å; L89-H91 PolarHBondContact O-N 3.41Å; H91-E93 VanDerWaalsContact C-N 3.25Å; H91-E93 PolarHBondContact O-N 3.02Å; H91-D94 PolarHBondContact O-N 3.21Å; H91-L97 HydrophobicContact CB-CD2 3.67Å; H91-S164 VanDerWaalsContact CB-OG 3.24Å; H91-S164 WeakPolarHBondContact CB-OG 3.42Å; H91-S164 PolarHBondContact O-OG 3.21Å
92	S	88.4	Confident	95	Very high	45 Å²	45	46.7 Å²	46.7	32%	0.315	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-23.7	-171.6	59.2	0	0	0	0	114.1	L88 L89	L88-S92 PolarHBondContact O-N 2.83Å; L88-S92 VanDerWaalsContact O-N 3.16Å; L89-S92 PolarHBondContact O-OG 3.28Å
93	E	90.1	Very high	95	Very high	178 Å²	178	45 Å²	45	83%	0.832	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-14.9	178.3	-60.8	-169.4	163.3	0	0	112.7	H91 Q95	H91-E93 VanDerWaalsContact C-N 3.25Å; H91-E93 PolarHBondContact O-N 3.02Å; E93-Q95 PolarHBondContact O-N 3.17Å; E93-Q95 VanDerWaalsContact O-N 3.15Å
94	D	90	Very high	95	Very high	65 Å²	65	44.6 Å²	44.6	35%	0.348	22%	0.216	S	C	.	.			trans	-79.6	100.9	178.4	-165.9	-24.7	0	0	0	110.9	H91 Q96 L97	H91-D94 PolarHBondContact O-N 3.21Å; D94-Q96 VanDerWaalsContact C-N 3.28Å; D94-Q96 PolarHBondContact O-N 2.92Å; D94-Q96 WeakPolarHBondContact OD1-CA 3.42Å; D94-Q96 PolarHBondContact OD1-N 2.84Å; D94-L97 HydrophobicContact CB-CB 3.91Å; D94-L97 VanDerWaalsContact CG-CB 3.48Å; D94-L97 PolarHBondContact OD1-N 3.31Å
95	Q	86.4	Confident	95	Very high	103 Å²	103	48.5 Å²	48.5	48%	0.481	23%	0.231	S	C	.	.	S	Bend	trans	-77.6	-11.7	179.7	-62.4	-67.1	-47.1	0	0	113.3	E93	E93-Q95 PolarHBondContact O-N 3.17Å; E93-Q95 VanDerWaalsContact O-N 3.15Å
96	Q	89.5	Confident	95	Very high	59 Å²	59	46.6 Å²	46.6	28%	0.276	22%	0.224	S	C	.	.	S	Bend	trans	-102.5	-24.1	-178.6	-61.5	-50.2	-71.2	0	0	112.6	R23 D94 V98	R23-Q96 VanDerWaalsContact CZ-NE2 3.25Å; R23-Q96 VanDerWaalsContact NH2-CD 3.32Å; R23-Q96 VanDerWaalsContact NH2-OE1 3.14Å; D94-Q96 VanDerWaalsContact C-N 3.28Å; D94-Q96 PolarHBondContact O-N 2.92Å; D94-Q96 WeakPolarHBondContact OD1-CA 3.42Å; D94-Q96 PolarHBondContact OD1-N 2.84Å; Q96-V98 PolarHBondContact O-N 2.74Å
97	L	96.4	Very high	95.1	Very high	17 Å²	17	41.7 Å²	41.7	9%	0.089	20%	0.2	C	C	.	.			trans	-63.1	123.8	176.8	-174.4	69.9	0	0	0	111.2	L31 H91 D94 V99 S164	L31-L97 HydrophobicContact CB-CD1 4.09Å; H91-L97 HydrophobicContact CB-CD2 3.67Å; D94-L97 HydrophobicContact CB-CB 3.91Å; D94-L97 VanDerWaalsContact CG-CB 3.48Å; D94-L97 PolarHBondContact OD1-N 3.31Å; L97-V99 HydrophobicContact CD2-CG2 3.9Å; L97-V99 HydrophobicContact CG-CG2 4Å; L97-S164 WeakPolarHBondContact O-CB 3.14Å; L97-S164 PolarHBondContact O-N 2.97Å
98	V	97.9	Very high	95.2	Very high	2 Å²	2	41 Å²	41	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	129.7	167.8	-179.3	0	0	0	0	107.6	L25 N29 L30 L31 Q96 L117 F120 I161 G162 F163	L25-V98 HydrophobicContact CD1-CG2 4.27Å; L25-V98 HydrophobicContact CD2-CG2 4.08Å; N29-V98 PolarHBondContact O-N 3.27Å; L30-V98 WeakPolarHBondContact CA-O 3.48Å; L30-V98 HydrophobicContact CD1-CB 4.3Å; L30-V98 HydrophobicContact CD1-CG1 4.06Å; L31-V98 PolarHBondContact N-O 3.16Å; Q96-V98 PolarHBondContact O-N 2.74Å; V98-L117 HydrophobicContact CB-CD2 4.27Å; V98-L117 HydrophobicContact CG1-CD2 4.12Å; V98-L117 HydrophobicContact CG2-CD2 4.42Å; V98-F120 HydrophobicContact CG1-CD1 4.17Å; V98-F120 HydrophobicContact CG1-CE1 3.99Å; V98-F120 HydrophobicContact CG2-CE1 4.28Å; V98-I161 HydrophobicContact CG1-CD1 3.81Å; V98-I161 HydrophobicContact CG1-CG1 3.61Å; V98-G162 WeakPolarHBondContact CA-O 3.32Å; V98-F163 HydrophobicContact CG2-CD1 4.15Å; V98-F163 HydrophobicContact CG2-CE1 4.07Å
99	V	98.5	Very high	95.3	Very high	1 Å²	1	41 Å²	41	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	131.3	176.8	177.9	0	0	0	0	109.1	L31 I33 L88 L97 I161 G162 L167	L31-V99 HydrophobicContact CB-CG2 4.41Å; L31-V99 VanDerWaalsContact O-CA 3.3Å; L31-V99 WeakPolarHBondContact O-CA 3.3Å; I33-V99 HydrophobicContact CB-CG1 4.4Å; I33-V99 HydrophobicContact CD1-CG1 3.62Å; I33-V99 HydrophobicContact CG1-CG1 3.78Å; L88-V99 HydrophobicContact CD2-CB 4.25Å; L88-V99 HydrophobicContact CD2-CG1 4.08Å; L88-V99 HydrophobicContact CD2-CG2 3.88Å; L97-V99 HydrophobicContact CD2-CG2 3.9Å; L97-V99 HydrophobicContact CG-CG2 4Å; V99-I161 CarbonylContact O-C 3.39Å; V99-I161 WeakPolarHBondContact O-CA 3.47Å; V99-G162 PolarHBondContact N-O 3.35Å; V99-G162 PolarHBondContact O-N 3.19Å; V99-L167 HydrophobicContact CB-CD1 3.87Å; V99-L167 HydrophobicContact CG1-CD1 4.36Å; V99-L167 WeakPolarHBondContact O-CD1 3.28Å
100	M	98.8	Very high	95.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	118.7	166.2	-177.9	175	75.4	0	0	108.8	L30 L31 V32 I33 V102 L109 L116 F160 I161 F210 V242	L30-M100 HydrophobicContact CD1-CB 4.48Å; L31-M100 PolarHBondContact O-N 3.02Å; V32-M100 CarbonylContact C-O 3.48Å; V32-M100 WeakPolarHBondContact CA-O 3.15Å; V32-M100 HydrophobicContact CG1-CE 3.89Å; V32-M100 HydrophobicContact CG2-CE 3.83Å; I33-M100 PolarHBondContact N-O 3.15Å; M100-V102 HydrophobicContact CE-CG1 4.19Å; M100-V102 HydrophobicContact CG-CG1 4.04Å; M100-V102 HydrophobicContact SD-CG1 4.23Å; M100-L109 HydrophobicContact CE-CD2 4.1Å; M100-L116 HydrophobicContact CE-CD2 4.02Å; M100-L116 HydrophobicContact SD-CD1 3.96Å; M100-L116 HydrophobicContact SD-CD2 3.62Å; M100-L116 HydrophobicContact SD-CG 4.45Å; M100-F160 CarbonylContact C-O 3.56Å; M100-F160 VanDerWaalsContact CA-O 3.31Å; M100-F160 WeakPolarHBondContact CA-O 3.47Å; M100-I161 HydrophobicContact CB-CB 4.19Å; M100-I161 HydrophobicContact CB-CD1 4.22Å; M100-I161 HydrophobicContact CB-CG1 4.12Å; M100-I161 HydrophobicContact CG-CB 4.24Å; M100-F210 HydrophobicContact CG-CE1 4.37Å; M100-F210 HydrophobicContact CG-CZ 4.41Å; M100-F210 HydrophobicContact SD-CE1 4.13Å; M100-F210 HydrophobicContact SD-CZ 4.38Å; M100-V242 HydrophobicContact CE-CG2 4.18Å; M100-V242 HydrophobicContact SD-CG2 3.86Å
101	F	98.8	Very high	95.5	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	134.5	167.6	-178.2	-92.4	0	0	0	109.5	I33 K80 L84 G159 F160	I33-F101 HydrophobicContact CB-CD2 4.3Å; I33-F101 HydrophobicContact CG2-CD2 4.15Å; I33-F101 VanDerWaalsContact O-CA 3.3Å; I33-F101 WeakPolarHBondContact O-CA 3.4Å; I33-F101 WeakPolarHBondContact O-CD2 3.43Å; K80-F101 HydrophobicContact CB-CZ 4.24Å; K80-F101 HydrophobicContact CD-CZ 4.39Å; L84-F101 HydrophobicContact CD1-CD2 3.84Å; L84-F101 HydrophobicContact CD1-CE2 4.44Å; L84-F101 HydrophobicContact CD2-CB 4.35Å; L84-F101 HydrophobicContact CD2-CD2 3.78Å; L84-F101 HydrophobicContact CD2-CE2 4.26Å; L84-F101 HydrophobicContact CD2-CG 4.02Å; L84-F101 HydrophobicContact CG-CD2 4.32Å; F101-G159 CarbonylContact O-C 3.55Å; F101-G159 WeakPolarHBondContact O-CA 3.37Å; F101-F160 HydrophobicContact CB-CD1 4.27Å; F101-F160 HydrophobicContact CB-CD2 3.94Å; F101-F160 HydrophobicContact CB-CE1 3.82Å; F101-F160 HydrophobicContact CB-CE2 3.44Å; F101-F160 VanDerWaalsContact CB-CE2 3.44Å; F101-F160 HydrophobicContact CB-CG 4.34Å; F101-F160 HydrophobicContact CB-CZ 3.38Å; F101-F160 HydrophobicContact CD1-CD1 4.13Å; F101-F160 AromaticContact CD1-CE1 3.4Å; F101-F160 HydrophobicContact CD1-CE1 3.4Å; F101-F160 VanDerWaalsContact CD1-CE1 3.4Å; F101-F160 AromaticContact CD1-CZ 3.66Å; F101-F160 HydrophobicContact CD1-CZ 3.66Å; F101-F160 HydrophobicContact CE1-CE1 4.29Å; F101-F160 AromaticContact CG-CE1 3.87Å; F101-F160 HydrophobicContact CG-CE1 3.87Å; F101-F160 HydrophobicContact CG-CE2 4.21Å; F101-F160 AromaticContact CG-CZ 3.63Å; F101-F160 HydrophobicContact CG-CZ 3.63Å; F101-F160 PolarHBondContact N-O 3.18Å; F101-F160 PolarHBondContact O-N 3.37Å
102	V	98.7	Very high	95.8	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	151.3	171.7	-69.4	0	0	0	0	110.4	V32 I33 T34 F46 M100 V107 G158 F210 V242	V32-V102 HydrophobicContact CG1-CG2 4.01Å; I33-V102 PolarHBondContact O-N 2.85Å; I33-V102 VanDerWaalsContact O-N 3.12Å; T34-V102 WeakPolarHBondContact CA-O 3.46Å; T34-V102 VanDerWaalsContact CB-O 3.25Å; T34-V102 WeakPolarHBondContact CB-O 3.27Å; T34-V102 PolarHBondContact OG1-O 2.65Å; F46-V102 HydrophobicContact CE2-CG2 3.66Å; F46-V102 HydrophobicContact CZ-CG2 3.66Å; M100-V102 HydrophobicContact CE-CG1 4.19Å; M100-V102 HydrophobicContact CG-CG1 4.04Å; M100-V102 HydrophobicContact SD-CG1 4.23Å; V102-V107 HydrophobicContact CB-CG1 4.38Å; V102-G158 CarbonylContact C-O 3.54Å; V102-G158 VanDerWaalsContact CA-O 3.29Å; V102-G158 WeakPolarHBondContact CA-O 3.47Å; V102-F210 HydrophobicContact CG1-CE1 4.22Å; V102-V242 HydrophobicContact CG1-CG1 3.91Å; V102-V242 HydrophobicContact CG1-CG2 4.37Å
103	D	98.1	Very high	96.3	Very high	25 Å²	25	28 Å²	28	13%	0.134	14%	0.138	C	C	.	.			trans	-63.3	165.4	162.7	-71.9	-22.6	0	0	0	110.3	K80 V107 G158 H244	K80-D103 IonicContact NZ-OD1 3.41Å; K80-D103 PolarHBondContact NZ-OD1 3.12Å; K80-D103 IonicContact NZ-OD2 3.97Å; K80-D103 PolarHBondContact NZ-OD2 3.38Å; D103-V107 HydrophobicContact CB-CG2 4.05Å; D103-V107 VanDerWaalsContact O-CB 3.22Å; D103-V107 WeakPolarHBondContact O-CB 3.31Å; D103-V107 WeakPolarHBondContact O-CG2 3.25Å; D103-G158 PolarHBondContact N-O 3.47Å; D103-G158 WeakPolarHBondContact OD2-CA 3.24Å; D103-H244 IonicContact OD2-NE2 2.79Å
104	S	97.4	Very high	96.6	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.014	13%	0.125	C	C	.	.	S	Bend	trans	-121.1	-38.2	-175.2	58.7	0	0	0	0	114.8	T34 A35 F46 D106	T34-S104 VanDerWaalsContact OG1-CB 3.27Å; T34-S104 WeakPolarHBondContact OG1-CB 3.38Å; T34-S104 PolarHBondContact OG1-N 2.9Å; A35-S104 PolarHBondContact O-OG 2.95Å; F46-S104 WeakPolarHBondContact CB-O 3.3Å; S104-D106 PolarHBondContact O-N 2.83Å
105	Y	97.5	Very high	96.9	Very high	82 Å²	82	24.4 Å²	24.4	32%	0.322	12%	0.123	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-28.2	-173.2	-66.7	-4.1	0	0	0	112.4	A36 T37 E38 T40 G42 F43	A36-Y105 HydrophobicContact CB-CE1 3.81Å; T37-Y105 PolarHBondContact N-OH 3.28Å; T37-Y105 VanDerWaalsContact N-OH 3.09Å; T37-Y105 PolarHBondContact OG1-OH 3.47Å; E38-Y105 PolarHBondContact N-OH 3.38Å; E38-Y105 VanDerWaalsContact N-OH 3.12Å; E38-Y105 PolarHBondContact O-OH 3.02Å; T40-Y105 HydrophobicContact CG2-CD1 4.39Å; T40-Y105 HydrophobicContact CG2-CD2 4.45Å; T40-Y105 HydrophobicContact CG2-CE1 3.94Å; T40-Y105 HydrophobicContact CG2-CE2 4.02Å; T40-Y105 VanDerWaalsContact OG1-CD1 3.25Å; T40-Y105 WeakPolarHBondContact OG1-CD1 3.46Å; T40-Y105 WeakPolarHBondContact OG1-CE1 3.49Å; G42-Y105 VanDerWaalsContact CA-O 3.23Å; G42-Y105 WeakPolarHBondContact CA-O 3.43Å; F43-Y105 HydrophobicContact CB-CD1 3.82Å; F43-Y105 HydrophobicContact CB-CE1 3.88Å
106	D	97.8	Very high	97.5	Very high	15 Å²	15	19.5 Å²	19.5	8%	0.08	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	36.8	-174.8	64.9	-35.6	0	0	0	112	S104 H244 G245 K250 L253	S104-D106 PolarHBondContact O-N 2.83Å; D106-H244 WeakPolarHBondContact O-CA 3.44Å; D106-H244 PolarHBondContact O-CD2 3.22Å; D106-H244 IonicContact OD1-CD2 3.9Å; D106-H244 IonicContact OD1-NE2 3.53Å; D106-H244 IonicContact OD2-CD2 2.67Å; D106-H244 PolarHBondContact OD2-CD2 2.84Å; D106-H244 IonicContact OD2-NE2 3.08Å; D106-H244 PolarHBondContact OD2-NE2 3.09Å; D106-G245 PolarHBondContact O-N 2.78Å; D106-K250 HydrophobicContact CB-CD 3.7Å; D106-K250 IonicContact OD2-NZ 2.73Å; D106-K250 PolarHBondContact OD2-NZ 2.86Å; D106-L253 VanDerWaalsContact CA-CD2 3.44Å; D106-L253 HydrophobicContact CB-CD2 4.01Å; D106-L253 WeakPolarHBondContact O-CD2 3.15Å
107	V	98.7	Very high	97.9	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.5	174.7	175.4	0	0	0	0	110.8	F46 V102 D103 V242 I243 H244	F46-V107 WeakPolarHBondContact CB-O 3.44Å; F46-V107 HydrophobicContact CD2-CB 4.05Å; F46-V107 HydrophobicContact CD2-CG1 3.91Å; F46-V107 HydrophobicContact CE2-CB 4.48Å; F46-V107 HydrophobicContact CE2-CG1 4.01Å; V102-V107 HydrophobicContact CB-CG1 4.38Å; D103-V107 HydrophobicContact CB-CG2 4.05Å; D103-V107 VanDerWaalsContact O-CB 3.22Å; D103-V107 WeakPolarHBondContact O-CB 3.31Å; D103-V107 WeakPolarHBondContact O-CG2 3.25Å; V107-V242 HydrophobicContact CG1-CG1 3.58Å; V107-I243 WeakPolarHBondContact CA-O 3.48Å; V107-H244 HydrophobicContact CG2-CB 4.18Å
108	I	98.4	Very high	97.9	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	144.5	166.2	63.9	-179.4	0	0	0	110	R45 T49 I243 L253 L256 V260	R45-I108 HydrophobicContact CG-CG2 3.95Å; T49-I108 HydrophobicContact CG2-CB 4.27Å; I108-I243 HydrophobicContact CD1-CB 4.28Å; I108-I243 HydrophobicContact CD1-CG1 4.4Å; I108-I243 HydrophobicContact CG1-CB 3.71Å; I108-I243 HydrophobicContact CG1-CG1 4.02Å; I108-I243 PolarHBondContact N-O 3.49Å; I108-I243 PolarHBondContact O-N 3.15Å; I108-L253 HydrophobicContact CD1-CD1 4.02Å; I108-L253 HydrophobicContact CG1-CD1 3.94Å; I108-L253 HydrophobicContact CG2-CD1 4.49Å; I108-L256 HydrophobicContact CD1-CB 4.3Å; I108-V260 HydrophobicContact CD1-CB 3.88Å; I108-V260 HydrophobicContact CD1-CG1 3.96Å
109	L	98.6	Very high	97.9	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	130.7	173.6	-59.6	176.4	0	0	0	109.5	F46 T49 A50 F53 Y55 M100 V242	F46-L109 HydrophobicContact CE2-CD1 4.13Å; F46-L109 HydrophobicContact CE2-CD2 4.43Å; F46-L109 HydrophobicContact CE2-CG 4.1Å; T49-L109 PolarHBondContact OG1-N 3.16Å; T49-L109 VanDerWaalsContact OG1-N 3.09Å; A50-L109 HydrophobicContact CB-CD1 3.82Å; F53-L109 HydrophobicContact CD2-CB 4.36Å; F53-L109 WeakPolarHBondContact CE2-O 3.29Å; Y55-L109 HydrophobicContact CD2-CD1 3.62Å; Y55-L109 HydrophobicContact CE2-CB 4.41Å; Y55-L109 HydrophobicContact CE2-CD1 3.75Å; Y55-L109 HydrophobicContact CG-CD1 4.2Å; M100-L109 HydrophobicContact CE-CD2 4.1Å; L109-V242 HydrophobicContact CD2-CB 4.43Å; L109-V242 HydrophobicContact CD2-CG1 4.4Å; L109-V242 HydrophobicContact CD2-CG2 3.8Å
110	A	97.7	Very high	97.9	Very high	1 Å²	1	22.7 Å²	22.7	1%	0.008	12%	0.119	C	C	.	.			trans	-112.5	-6.2	-174.5	0	0	0	0	0	113.4	R230 V241 I243 V260	A110-R230 WeakPolarHBondContact O-CD 3.32Å; A110-V241 PolarHBondContact N-O 3.37Å; A110-I243 HydrophobicContact CB-CG1 4.33Å; A110-V260 HydrophobicContact CB-CG1 3.67Å
111	A	97.3	Very high	97.8	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.017	13%	0.131	C	C	.	.	S	Bend	trans	-154	162.2	176.8	0	0	0	0	0	111.9	Y55 E115 V241	Y55-A111 VanDerWaalsContact CE2-O 3.28Å; Y55-A111 WeakPolarHBondContact CE2-O 3.41Å; Y55-A111 PolarHBondContact OH-O 3.34Å; A111-E115 HydrophobicContact CB-CB 4.4Å; A111-E115 HydrophobicContact CB-CG 4.43Å; A111-E115 WeakPolarHBondContact CB-OE2 3.34Å; A111-V241 HydrophobicContact CB-CB 4.46Å; A111-V241 HydrophobicContact CB-CG1 4.15Å; A111-V241 HydrophobicContact CB-CG2 4.21Å
112	G	97.1	Very high	97.7	Very high	16 Å²	16	27.2 Å²	27.2	17%	0.165	15%	0.151	C	C	.	.			trans	-87.1	174	-175.5	0	0	0	0	0	116.4	Y55 D114 E115 L116	Y55-G112 PolarHBondContact OH-O 3.42Å; G112-D114 PolarHBondContact O-N 3.45Å; G112-E115 PolarHBondContact O-N 3.09Å; G112-L116 PolarHBondContact O-N 3.01Å
113	P	97.9	Very high	97.5	Very high	15 Å²	15	28.9 Å²	28.9	10%	0.097	16%	0.16	C	C	.	.	H	α-helix	trans	-55.4	-40.6	-172.4	-29.2	35.1	0	0	0	115.3	P27 L30 F53 Y55 E115 L116 L117	P27-P113 HydrophobicContact CB-CB 3.89Å; P27-P113 HydrophobicContact CG-CB 4.26Å; L30-P113 HydrophobicContact CD2-CB 3.87Å; L30-P113 HydrophobicContact CD2-CG 4.43Å; F53-P113 VanDerWaalsContact O-CD 3.28Å; F53-P113 WeakPolarHBondContact O-CD 3.2Å; Y55-P113 HydrophobicContact CD1-CG 3.78Å; Y55-P113 HydrophobicContact CD2-CG 4.5Å; Y55-P113 HydrophobicContact CE1-CB 4.18Å; Y55-P113 HydrophobicContact CE1-CG 3.71Å; Y55-P113 HydrophobicContact CE2-CG 4.43Å; Y55-P113 HydrophobicContact CG-CG 4.21Å; P113-E115 VanDerWaalsContact C-N 3.33Å; P113-E115 PolarHBondContact O-N 3.3Å; P113-L116 WeakPolarHBondContact O-CB 3.09Å; P113-L116 PolarHBondContact O-N 3.43Å; P113-L117 WeakPolarHBondContact O-CB 3.26Å; P113-L117 WeakPolarHBondContact O-CG 3.49Å; P113-L117 PolarHBondContact O-N 3.27Å
114	D	97.1	Very high	97.4	Very high	106 Å²	106	30.4 Å²	30.4	57%	0.567	18%	0.181	S	C	*	.	H	α-helix	trans	-61.2	-43.1	-178.6	-70.4	-65.2	0	0	0	112.2	P27 G112 T118	P27-D114 WeakPolarHBondContact CG-OD1 3.19Å; G112-D114 PolarHBondContact O-N 3.45Å; D114-T118 VanDerWaalsContact O-CB 3.29Å; D114-T118 WeakPolarHBondContact O-CB 3.36Å; D114-T118 PolarHBondContact O-N 3.3Å; D114-T118 PolarHBondContact O-OG1 2.55Å
115	E	96.9	Very high	97.4	Very high	62 Å²	62	33.1 Å²	33.1	29%	0.29	19%	0.194	S	C	.	.	H	α-helix	trans	-68.8	-41.4	179.2	-174.9	170.8	176.1	0	0	110.8	A111 G112 P113 R119 R230	A111-E115 HydrophobicContact CB-CB 4.4Å; A111-E115 HydrophobicContact CB-CG 4.43Å; A111-E115 WeakPolarHBondContact CB-OE2 3.34Å; G112-E115 PolarHBondContact O-N 3.09Å; P113-E115 VanDerWaalsContact C-N 3.33Å; P113-E115 PolarHBondContact O-N 3.3Å; E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 WeakPolarHBondContact O-CD 3.43Å; E115-R119 WeakPolarHBondContact O-CG 3.5Å; E115-R119 PolarHBondContact O-N 2.74Å; E115-R119 IonicContact OE1-CZ 2.86Å; E115-R119 IonicContact OE1-NE 2.77Å; E115-R119 PolarHBondContact OE1-NE 2.86Å; E115-R119 IonicContact OE1-NH2 2.67Å; E115-R119 PolarHBondContact OE1-NH2 3.18Å; E115-R230 IonicContact OE1-CZ 3.52Å; E115-R230 IonicContact OE1-NH1 2.55Å; E115-R230 PolarHBondContact OE1-NH1 3.15Å; E115-R230 IonicContact OE1-NH2 3.31Å; E115-R230 PolarHBondContact OE1-NH2 2.88Å; E115-R230 IonicContact OE2-CZ 3.15Å; E115-R230 IonicContact OE2-NH1 2.74Å; E115-R230 PolarHBondContact OE2-NH1 3.22Å; E115-R230 IonicContact OE2-NH2 3.34Å
116	L	98.4	Very high	97.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-56.7	-53.8	173.7	176	62.8	0	0	0	111.7	L30 Y55 M100 G112 P113 T118 R119 F120 I161 I209 V241	L30-L116 HydrophobicContact CD1-CD2 4.33Å; L30-L116 HydrophobicContact CD2-CD2 3.77Å; Y55-L116 HydrophobicContact CE1-CD2 3.83Å; M100-L116 HydrophobicContact CE-CD2 4.02Å; M100-L116 HydrophobicContact SD-CD1 3.96Å; M100-L116 HydrophobicContact SD-CD2 3.62Å; M100-L116 HydrophobicContact SD-CG 4.45Å; G112-L116 PolarHBondContact O-N 3.01Å; P113-L116 WeakPolarHBondContact O-CB 3.09Å; P113-L116 PolarHBondContact O-N 3.43Å; L116-T118 PolarHBondContact O-N 3.15Å; L116-R119 PolarHBondContact O-N 3.15Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.23Å; L116-I161 HydrophobicContact CD1-CD1 3.99Å; L116-I161 HydrophobicContact CD2-CD1 4.03Å; L116-I161 HydrophobicContact CG-CD1 3.89Å; L116-I209 HydrophobicContact CD1-CG2 3.39Å; L116-V241 HydrophobicContact CB-CG1 4.16Å; L116-V241 HydrophobicContact CD1-CB 4.4Å; L116-V241 HydrophobicContact CD1-CG1 4.16Å
117	L	97.9	Very high	97.4	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	19%	0.189	C	C	.	.	H	α-helix	trans	-66.5	-38	-176.8	-71.5	176.5	0	0	0	112.1	L25 P27 L30 V98 P113 R119 F120 S121	L25-L117 HydrophobicContact CB-CB 4.13Å; L25-L117 HydrophobicContact CB-CD1 4.13Å; L25-L117 HydrophobicContact CB-CD2 4.12Å; L25-L117 HydrophobicContact CB-CG 4.37Å; L25-L117 HydrophobicContact CD1-CD2 4.1Å; P27-L117 HydrophobicContact CG-CD1 4.3Å; L30-L117 HydrophobicContact CB-CD1 4.41Å; L30-L117 HydrophobicContact CB-CD2 4.5Å; L30-L117 HydrophobicContact CD1-CD2 4.2Å; V98-L117 HydrophobicContact CB-CD2 4.27Å; V98-L117 HydrophobicContact CG1-CD2 4.12Å; V98-L117 HydrophobicContact CG2-CD2 4.42Å; P113-L117 WeakPolarHBondContact O-CB 3.26Å; P113-L117 WeakPolarHBondContact O-CG 3.49Å; P113-L117 PolarHBondContact O-N 3.27Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 3.26Å; L117-F120 PolarHBondContact O-N 3.42Å; L117-S121 WeakPolarHBondContact O-CB 3.32Å; L117-S121 PolarHBondContact O-N 2.66Å
118	T	97.3	Very high	97.4	Very high	96 Å²	96	32.2 Å²	32.2	59%	0.589	19%	0.189	S	C	*	.	H	α-helix	trans	-60	-45.6	173.6	-61.5	0	0	0	0	110.8	D114 L116 S121 S122	D114-T118 VanDerWaalsContact O-CB 3.29Å; D114-T118 WeakPolarHBondContact O-CB 3.36Å; D114-T118 PolarHBondContact O-N 3.3Å; D114-T118 PolarHBondContact O-OG1 2.55Å; L116-T118 PolarHBondContact O-N 3.15Å; T118-S121 PolarHBondContact O-N 3.31Å; T118-S122 WeakPolarHBondContact O-CB 3.44Å; T118-S122 PolarHBondContact O-N 2.85Å
119	R	97.3	Very high	97.4	Very high	43 Å²	43	32.2 Å²	32.2	16%	0.162	19%	0.189	C	C	.	.	H	α-helix	trans	-67.8	-43.1	178.9	-71.4	166	171.8	-149.3	5	112	E115 L116 L117 S122 L123 R208 I209 L239	E115-R119 WeakPolarHBondContact O-CB 3.47Å; E115-R119 WeakPolarHBondContact O-CD 3.43Å; E115-R119 WeakPolarHBondContact O-CG 3.5Å; E115-R119 PolarHBondContact O-N 2.74Å; E115-R119 IonicContact OE1-CZ 2.86Å; E115-R119 IonicContact OE1-NE 2.77Å; E115-R119 PolarHBondContact OE1-NE 2.86Å; E115-R119 IonicContact OE1-NH2 2.67Å; E115-R119 PolarHBondContact OE1-NH2 3.18Å; L116-R119 PolarHBondContact O-N 3.15Å; L117-R119 VanDerWaalsContact C-N 3.33Å; L117-R119 PolarHBondContact O-N 3.26Å; R119-S122 PolarHBondContact O-N 3.05Å; R119-S122 PolarHBondContact O-OG 3.26Å; R119-L123 PolarHBondContact O-N 3.17Å; R119-R208 WeakPolarHBondContact CD-O 3.32Å; R119-R208 PolarHBondContact NH1-O 2.82Å; R119-I209 HydrophobicContact CB-CD1 4.22Å; R119-I209 HydrophobicContact CB-CG1 3.82Å; R119-L239 PolarHBondContact NH1-O 3.23Å; R119-L239 PolarHBondContact NH2-O 3.29Å
120	F	98	Very high	97.4	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.009	19%	0.189	C	C	.	.	H	α-helix	trans	-58.8	-48.9	174.7	173.7	-119.3	0	0	0	111.4	L25 V98 L116 L117 S122 L123 V128 I161 F163 I209	L25-F120 HydrophobicContact CD1-CD1 3.66Å; L25-F120 HydrophobicContact CD1-CE1 4.06Å; V98-F120 HydrophobicContact CG1-CD1 4.17Å; V98-F120 HydrophobicContact CG1-CE1 3.99Å; V98-F120 HydrophobicContact CG2-CE1 4.28Å; L116-F120 WeakPolarHBondContact O-CB 3.46Å; L116-F120 PolarHBondContact O-N 3.23Å; L117-F120 PolarHBondContact O-N 3.42Å; F120-S122 VanDerWaalsContact C-N 3.29Å; F120-S122 PolarHBondContact O-N 3.13Å; F120-L123 WeakPolarHBondContact O-CB 3.25Å; F120-L123 PolarHBondContact O-N 3.23Å; F120-L123 VanDerWaalsContact O-N 3.16Å; F120-V128 HydrophobicContact CD2-CB 4.35Å; F120-V128 HydrophobicContact CD2-CG2 3.77Å; F120-V128 HydrophobicContact CE2-CB 4.38Å; F120-V128 HydrophobicContact CE2-CG2 3.75Å; F120-I161 HydrophobicContact CB-CD1 4.13Å; F120-I161 HydrophobicContact CD1-CD1 4.38Å; F120-I161 HydrophobicContact CD2-CD1 4.47Å; F120-I161 HydrophobicContact CD2-CG1 4.26Å; F120-I161 HydrophobicContact CD2-CG2 3.6Å; F120-I161 HydrophobicContact CE2-CG1 4.49Å; F120-I161 HydrophobicContact CE2-CG2 4.08Å; F120-I161 HydrophobicContact CG-CD1 4.08Å; F120-I161 HydrophobicContact CG-CG1 4.28Å; F120-I161 HydrophobicContact CG-CG2 4.23Å; F120-F163 HydrophobicContact CE1-CE2 4.28Å; F120-F163 HydrophobicContact CE1-CZ 4.41Å; F120-F163 HydrophobicContact CZ-CD2 4.49Å; F120-F163 HydrophobicContact CZ-CE2 4.27Å; F120-I209 HydrophobicContact CB-CD1 4.06Å
121	S	96.3	Very high	97.5	Very high	36 Å²	36	32.3 Å²	32.3	25%	0.252	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-37.6	176.7	179.2	0	0	0	0	112.4	L117 T118 L123 G124	L117-S121 WeakPolarHBondContact O-CB 3.32Å; L117-S121 PolarHBondContact O-N 2.66Å; T118-S121 PolarHBondContact O-N 3.31Å; S121-L123 PolarHBondContact O-N 2.86Å; S121-G124 PolarHBondContact O-N 3.45Å; S121-G124 VanDerWaalsContact O-N 3.13Å
122	S	96.1	Very high	97.5	Very high	64 Å²	64	32.6 Å²	32.6	45%	0.448	19%	0.19	S	C	.	.	H	α-helix	trans	-64.6	-22.1	178.8	80.9	0	0	0	0	114	T118 R119 F120 G124	T118-S122 WeakPolarHBondContact O-CB 3.44Å; T118-S122 PolarHBondContact O-N 2.85Å; R119-S122 PolarHBondContact O-N 3.05Å; R119-S122 PolarHBondContact O-OG 3.26Å; F120-S122 VanDerWaalsContact C-N 3.29Å; F120-S122 PolarHBondContact O-N 3.13Å; S122-G124 VanDerWaalsContact C-N 3.33Å
123	L	95.6	Very high	97.3	Very high	34 Å²	34	33.3 Å²	33.3	18%	0.178	20%	0.198	C	C	.	.	H	α-helix	trans	-76.6	-21.7	177.2	-69.2	170.6	0	0	0	111.9	R119 F120 S121 H125 V128 I209	R119-L123 PolarHBondContact O-N 3.17Å; F120-L123 WeakPolarHBondContact O-CB 3.25Å; F120-L123 PolarHBondContact O-N 3.23Å; F120-L123 VanDerWaalsContact O-N 3.16Å; S121-L123 PolarHBondContact O-N 2.86Å; L123-H125 PolarHBondContact O-CD2 3.01Å; L123-H125 PolarHBondContact O-N 2.67Å; L123-V128 HydrophobicContact CB-CG2 4.36Å; L123-V128 HydrophobicContact CD1-CB 4.36Å; L123-V128 HydrophobicContact CD1-CG1 3.74Å; L123-V128 HydrophobicContact CD1-CG2 3.75Å; L123-I209 HydrophobicContact CD1-CD1 3.92Å
124	G	95.6	Very high	97.2	Very high	57 Å²	57	37.3 Å²	37.3	59%	0.588	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	18.3	177.4	0	0	0	0	0	114.7	S121 S122 N200	S121-G124 PolarHBondContact O-N 3.45Å; S121-G124 VanDerWaalsContact O-N 3.13Å; S122-G124 VanDerWaalsContact C-N 3.33Å; G124-N200 PolarHBondContact O-ND2 2.97Å
125	H	97.1	Very high	97.2	Very high	59 Å²	59	33 Å²	33	27%	0.273	19%	0.192	S	C	.	.			trans	-113.3	156.8	-178.9	-70	-76.1	0	0	0	111.7	L123 V128 N200 T202	L123-H125 PolarHBondContact O-CD2 3.01Å; L123-H125 PolarHBondContact O-N 2.67Å; H125-V128 HydrophobicContact CB-CG2 4.07Å; H125-N200 PolarHBondContact ND1-OD1 2.87Å; H125-T202 HydrophobicContact CB-CG2 3.62Å; H125-T202 VanDerWaalsContact CD2-CB 3.46Å; H125-T202 WeakPolarHBondContact CD2-CB 3.42Å; H125-T202 WeakPolarHBondContact CD2-CG2 3.42Å
126	R	97.5	Very high	97.1	Very high	78 Å²	78	35.2 Å²	35.2	29%	0.294	20%	0.198	S	C	.	.	S	Bend	trans	-88.7	-28.1	-179.5	-65.8	-173	65.5	74.9	6.4	112.7	G162 F163 D166 F199 N200	R126-G162 WeakPolarHBondContact O-CA 3.28Å; R126-F163 HydrophobicContact CB-CD2 3.98Å; R126-F163 HydrophobicContact CB-CE2 4.42Å; R126-F163 HydrophobicContact CG-CD2 4.2Å; R126-F163 HydrophobicContact CG-CE2 4.32Å; R126-F163 PolarHBondContact O-N 3.23Å; R126-F163 VanDerWaalsContact O-N 3.15Å; R126-D166 IonicContact CZ-OD2 3.63Å; R126-D166 IonicContact NE-OD1 3.75Å; R126-D166 IonicContact NE-OD2 3.73Å; R126-D166 PolarHBondContact NE-OD2 3.39Å; R126-D166 IonicContact NH2-OD2 3.7Å; R126-D166 PolarHBondContact NH2-OD2 3.38Å; R126-F199 WeakPolarHBondContact CB-O 3.26Å; R126-N200 HydrophobicContact CB-CB 4.13Å; R126-N200 HydrophobicContact CG-CB 3.98Å; R126-N200 PolarHBondContact N-O 3.2Å; R126-N200 VanDerWaalsContact N-O 3.16Å
127	V	98.5	Very high	97	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	127.5	175.8	179.6	0	0	0	0	108.3	F129 I161 D166 L167 I170 M201 T202	V127-F129 HydrophobicContact CG1-CD2 3.97Å; V127-F129 HydrophobicContact CG1-CE2 3.49Å; V127-F129 VanDerWaalsContact CG1-CE2 3.49Å; V127-F129 HydrophobicContact CG1-CZ 4.14Å; V127-I161 WeakPolarHBondContact CA-O 3.45Å; V127-D166 HydrophobicContact CG2-CB 3.76Å; V127-L167 HydrophobicContact CG1-CD2 3.82Å; V127-L167 HydrophobicContact CG2-CD2 4.14Å; V127-I170 HydrophobicContact CG1-CD1 4.34Å; V127-I170 HydrophobicContact CG2-CD1 4.18Å; V127-M201 HydrophobicContact CB-CG 4.06Å; V127-M201 HydrophobicContact CG1-CG 4.38Å; V127-M201 CarbonylContact O-C 3.59Å; V127-M201 VanDerWaalsContact O-CA 3.32Å; V127-M201 WeakPolarHBondContact O-CA 3.45Å; V127-T202 PolarHBondContact O-N 3.39Å
128	V	98.8	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	116.6	179.6	177.7	0	0	0	0	107.8	F120 L123 H125 F160 I161 T202 D204 F210	F120-V128 HydrophobicContact CD2-CB 4.35Å; F120-V128 HydrophobicContact CD2-CG2 3.77Å; F120-V128 HydrophobicContact CE2-CB 4.38Å; F120-V128 HydrophobicContact CE2-CG2 3.75Å; L123-V128 HydrophobicContact CB-CG2 4.36Å; L123-V128 HydrophobicContact CD1-CB 4.36Å; L123-V128 HydrophobicContact CD1-CG1 3.74Å; L123-V128 HydrophobicContact CD1-CG2 3.75Å; H125-V128 HydrophobicContact CB-CG2 4.07Å; V128-F160 CarbonylContact O-C 3.57Å; V128-F160 VanDerWaalsContact O-CA 3.27Å; V128-F160 WeakPolarHBondContact O-CA 3.24Å; V128-F160 WeakPolarHBondContact O-CB 3.39Å; V128-I161 HydrophobicContact CB-CG2 4Å; V128-I161 PolarHBondContact N-O 3Å; V128-I161 PolarHBondContact O-N 3.44Å; V128-T202 HydrophobicContact CB-CG2 4.24Å; V128-T202 HydrophobicContact CG1-CG2 4.22Å; V128-T202 HydrophobicContact CG2-CG2 3.69Å; V128-D204 HydrophobicContact CG1-CB 3.95Å; V128-F210 HydrophobicContact CG1-CE2 4.5Å
129	F	98.9	Very high	96.7	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	152.8	169.7	-71.1	-93.1	0	0	0	110.8	V127 L155 F160 Y186 M201 T202 L203 D204	V127-F129 HydrophobicContact CG1-CD2 3.97Å; V127-F129 HydrophobicContact CG1-CE2 3.49Å; V127-F129 VanDerWaalsContact CG1-CE2 3.49Å; V127-F129 HydrophobicContact CG1-CZ 4.14Å; F129-L155 HydrophobicContact CB-CD1 3.93Å; F129-L155 HydrophobicContact CB-CG 3.92Å; F129-L155 HydrophobicContact CD1-CD1 3.83Å; F129-L155 HydrophobicContact CD1-CD2 4.28Å; F129-L155 HydrophobicContact CD1-CG 4.1Å; F129-L155 HydrophobicContact CD2-CD1 3.9Å; F129-L155 HydrophobicContact CE1-CD1 4.34Å; F129-L155 HydrophobicContact CE2-CD1 4.39Å; F129-L155 HydrophobicContact CG-CD1 3.61Å; F129-L155 HydrophobicContact CG-CG 4.03Å; F129-F160 HydrophobicContact CB-CB 4.37Å; F129-F160 HydrophobicContact CD1-CB 3.47Å; F129-F160 VanDerWaalsContact CD1-CB 3.47Å; F129-F160 AromaticContact CD1-CD1 3.83Å; F129-F160 HydrophobicContact CD1-CD1 3.83Å; F129-F160 AromaticContact CD1-CG 3.83Å; F129-F160 HydrophobicContact CD1-CG 3.83Å; F129-F160 HydrophobicContact CE1-CB 3.83Å; F129-F160 AromaticContact CE1-CD1 3.68Å; F129-F160 HydrophobicContact CE1-CD1 3.68Å; F129-F160 HydrophobicContact CE1-CD2 4.32Å; F129-F160 HydrophobicContact CE1-CE1 4.27Å; F129-F160 AromaticContact CE1-CG 3.7Å; F129-F160 HydrophobicContact CE1-CG 3.7Å; F129-F160 HydrophobicContact CG-CB 3.96Å; F129-F160 HydrophobicContact CZ-CG 4.5Å; F129-Y186 AromaticContact CE1-CD1 3.65Å; F129-Y186 HydrophobicContact CE1-CD1 3.65Å; F129-Y186 HydrophobicContact CE1-CE1 4.24Å; F129-Y186 AromaticContact CE1-CG 3.85Å; F129-Y186 HydrophobicContact CE1-CG 3.85Å; F129-Y186 AromaticContact CZ-CD1 3.73Å; F129-Y186 HydrophobicContact CZ-CD1 3.73Å; F129-Y186 HydrophobicContact CZ-CE1 4.35Å; F129-Y186 HydrophobicContact CZ-CG 4.3Å; F129-M201 HydrophobicContact CE2-SD 4.03Å; F129-T202 PolarHBondContact N-O 2.98Å; F129-L203 HydrophobicContact CB-CD2 3.78Å; F129-L203 CarbonylContact O-C 3.53Å; F129-L203 WeakPolarHBondContact O-CA 3.49Å; F129-D204 PolarHBondContact O-N 3.29Å
130	S	98.7	Very high	96.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	151.3	167.2	76.9	0	0	0	0	110.8	N156 G159 N212	S130-N156 PolarHBondContact O-N 3.39Å; S130-N156 VanDerWaalsContact OG-CB 3.29Å; S130-N156 WeakPolarHBondContact OG-CB 3.41Å; S130-N156 PolarHBondContact OG-O 3.19Å; S130-N156 PolarHBondContact OG-OD1 3.06Å; S130-G159 VanDerWaalsContact CB-O 3.25Å; S130-G159 WeakPolarHBondContact CB-O 3.37Å; S130-G159 PolarHBondContact N-O 3.42Å; S130-G159 PolarHBondContact OG-O 3.07Å; S130-N212 WeakPolarHBondContact CB-ND2 3.33Å; S130-N212 PolarHBondContact OG-ND2 3.34Å; S130-N212 VanDerWaalsContact OG-ND2 3.11Å
131	A	98.6	Very high	96.7	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	148.1	179.5	0	0	0	0	0	111.3	K152 Y154 L203 D204 N212	A131-K152 HydrophobicContact CB-CB 3.72Å; A131-Y154 CarbonylContact C-O 3.6Å; A131-Y154 VanDerWaalsContact CA-O 3.23Å; A131-Y154 WeakPolarHBondContact CA-O 3.38Å; A131-L203 HydrophobicContact CB-CB 4Å; A131-D204 WeakPolarHBondContact CB-O 3.49Å; A131-N212 PolarHBondContact O-ND2 3.38Å
132	E	97.3	Very high	96.7	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	168.5	177.7	68.5	167.8	102.6	0	0	113.3	F134 R153 Y154 N156 Q183 N212	E132-F134 WeakPolarHBondContact CG-O 2.86Å; E132-R153 PolarHBondContact O-N 2.79Å; E132-Y154 PolarHBondContact N-O 3.45Å; E132-Y154 PolarHBondContact O-N 3.24Å; E132-N156 HydrophobicContact CB-CB 4.13Å; E132-N156 HydrophobicContact CG-CB 3.94Å; E132-N156 VanDerWaalsContact OE1-CB 3.24Å; E132-N156 WeakPolarHBondContact OE1-CB 3.21Å; E132-N156 PolarHBondContact OE1-ND2 3.22Å; E132-Q183 PolarHBondContact OE1-NE2 3.1Å; E132-Q183 VanDerWaalsContact OE1-NE2 3.12Å; E132-N212 HydrophobicContact CB-CB 4.35Å
133	G	94.3	Very high	96.7	Very high	32 Å²	32	50.2 Å²	50.2	33%	0.33	26%	0.263	S	S	.	.	S	Bend	trans	-76.6	-19.5	-178.3	0	0	0	0	0	114.5	Y154	G133-Y154 WeakPolarHBondContact O-CD2 3.4Å; G133-Y154 WeakPolarHBondContact O-CE2 3.33Å
134	F	95.5	Very high	96.8	Very high	99 Å²	99	55 Å²	55	43%	0.434	28%	0.282	S	S	.	.	S	Bend	trans	-113.3	139.1	-172.8	-55.3	-72.5	0	0	0	112.6	E132 W136 Y154	E132-F134 WeakPolarHBondContact CG-O 2.86Å; F134-W136 PolarHBondContact O-N 3.24Å; F134-Y154 VanDerWaalsContact O-CB 3.24Å; F134-Y154 WeakPolarHBondContact O-CB 3.3Å
135	C	97	Very high	96.9	Very high	15 Å²	15	52.7 Å²	52.7	10%	0.101	26%	0.256	C	S	.	.			trans	-87.3	88.6	171.3	-173.1	0	0	0	0	109.2	D138 Q139 A142 Y154	C135-D138 PolarHBondContact SG-O 2.84Å; C135-D138 VanDerWaalsContact SG-O 3.4Å; C135-Q139 WeakPolarHBondContact O-CA 3.46Å; C135-Q139 WeakPolarHBondContact O-CG 3.4Å; C135-A142 HydrophobicContact CB-CB 3.96Å; C135-Y154 HydrophobicContact CB-CD1 3.64Å; C135-Y154 HydrophobicContact CB-CD2 4.03Å; C135-Y154 HydrophobicContact CB-CE1 3.75Å; C135-Y154 HydrophobicContact CB-CE2 4.11Å; C135-Y154 HydrophobicContact CB-CG 3.77Å
136	W	95.4	Very high	96.8	Very high	109 Å²	109	52 Å²	52	41%	0.413	26%	0.256	S	S	.	.			trans	-117.5	145.5	-177.7	-171.9	95.6	0	0	0	111.2	V75 F134 D181 Q183	V75-W136 HydrophobicContact CB-CH2 4.22Å; V75-W136 HydrophobicContact CB-CZ2 4.45Å; V75-W136 HydrophobicContact CG1-CH2 3.71Å; V75-W136 HydrophobicContact CG1-CZ2 3.62Å; F134-W136 PolarHBondContact O-N 3.24Å; W136-D181 WeakPolarHBondContact CH2-OD2 3.41Å; W136-D181 VanDerWaalsContact CZ3-OD2 3.22Å; W136-D181 WeakPolarHBondContact CZ3-OD2 3.39Å; W136-Q183 HydrophobicContact CE3-CB 4.24Å; W136-Q183 HydrophobicContact CE3-CG 4.25Å; W136-Q183 HydrophobicContact CZ3-CB 4.07Å; W136-Q183 PolarHBondContact O-NE2 2.8Å
137	P	94.4	Very high	96.7	Very high	37 Å²	37	55.3 Å²	55.3	24%	0.24	28%	0.275	C	S	.	.	S	Bend	cis	-84.3	-22.7	-1.1	32.2	-35.3	0	0	0	114.5	V75 D181 L184	V75-P137 HydrophobicContact CG1-CB 3.65Å; V75-P137 HydrophobicContact CG1-CG 4.12Å; P137-D181 WeakPolarHBondContact CD-OD1 3.11Å; P137-D181 WeakPolarHBondContact CG-OD1 3.4Å; P137-L184 HydrophobicContact CG-CB 3.94Å; P137-L184 HydrophobicContact CG-CD1 4.33Å; P137-L184 HydrophobicContact CG-CD2 4.34Å; P137-L184 HydrophobicContact CG-CG 4.43Å
138	D	95.6	Very high	96.4	Very high	31 Å²	31	57.1 Å²	57.1	17%	0.166	29%	0.286	C	S	.	.			trans	-99.4	95.9	-176.4	-169.5	-9.1	0	0	0	112.3	C135 R140 L141 L184	C135-D138 PolarHBondContact SG-O 2.84Å; C135-D138 VanDerWaalsContact SG-O 3.4Å; D138-R140 PolarHBondContact O-N 3.11Å; D138-R140 VanDerWaalsContact O-N 3.12Å; D138-R140 VanDerWaalsContact OD1-CB 3.26Å; D138-R140 WeakPolarHBondContact OD1-CB 3.45Å; D138-R140 WeakPolarHBondContact OD1-CG 3.44Å; D138-R140 IonicContact OD1-CZ 2.64Å; D138-R140 PolarHBondContact OD1-N 2.85Å; D138-R140 IonicContact OD1-NE 3.12Å; D138-R140 PolarHBondContact OD1-NE 3.4Å; D138-R140 IonicContact OD1-NH2 3.77Å; D138-R140 PolarHBondContact OD1-NH2 3.45Å; D138-R140 IonicContact OD2-CZ 3.22Å; D138-R140 IonicContact OD2-NE 3.1Å; D138-R140 PolarHBondContact OD2-NE 2.71Å; D138-R140 IonicContact OD2-NH2 3.24Å; D138-R140 PolarHBondContact OD2-NH2 3.14Å; D138-L141 HydrophobicContact CB-CD1 3.93Å; D138-L141 HydrophobicContact CB-CG 4.04Å; D138-L141 WeakPolarHBondContact O-CB 3.11Å; D138-L141 PolarHBondContact O-N 3.25Å; D138-L141 VanDerWaalsContact O-N 3.09Å; D138-L184 HydrophobicContact CB-CD1 4.28Å
139	Q	94.9	Very high	95.9	Very high	155 Å²	155	66.9 Å²	66.9	72%	0.724	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-59.6	-23.6	179.8	-65.7	179.9	8.7	0	0	113.6	C135 L141 A142	C135-Q139 WeakPolarHBondContact O-CA 3.46Å; C135-Q139 WeakPolarHBondContact O-CG 3.4Å; Q139-L141 PolarHBondContact O-N 3.48Å; Q139-L141 VanDerWaalsContact O-N 3.15Å; Q139-A142 WeakPolarHBondContact O-CB 3.47Å; Q139-A142 PolarHBondContact O-N 3.43Å; Q139-A142 VanDerWaalsContact O-N 3.08Å
140	R	96.8	Very high	95.4	Very high	198 Å²	198	69.3 Å²	69.3	75%	0.747	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-66.5	-17.3	179.2	-57	169.4	-64.7	-174.7	1.7	112.1	D138 A142	D138-R140 PolarHBondContact O-N 3.11Å; D138-R140 VanDerWaalsContact O-N 3.12Å; D138-R140 VanDerWaalsContact OD1-CB 3.26Å; D138-R140 WeakPolarHBondContact OD1-CB 3.45Å; D138-R140 WeakPolarHBondContact OD1-CG 3.44Å; D138-R140 IonicContact OD1-CZ 2.64Å; D138-R140 PolarHBondContact OD1-N 2.85Å; D138-R140 IonicContact OD1-NE 3.12Å; D138-R140 PolarHBondContact OD1-NE 3.4Å; D138-R140 IonicContact OD1-NH2 3.77Å; D138-R140 PolarHBondContact OD1-NH2 3.45Å; D138-R140 IonicContact OD2-CZ 3.22Å; D138-R140 IonicContact OD2-NE 3.1Å; D138-R140 PolarHBondContact OD2-NE 2.71Å; D138-R140 IonicContact OD2-NH2 3.24Å; D138-R140 PolarHBondContact OD2-NH2 3.14Å; R140-A142 VanDerWaalsContact C-N 3.29Å
141	L	97.1	Very high	95.3	Very high	20 Å²	20	70.3 Å²	70.3	11%	0.105	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-78.7	-11.6	176.8	-60.2	179.4	0	0	0	113.1	D138 Q139 S143 K144 Y145 L184 T187 L191	D138-L141 HydrophobicContact CB-CD1 3.93Å; D138-L141 HydrophobicContact CB-CG 4.04Å; D138-L141 WeakPolarHBondContact O-CB 3.11Å; D138-L141 PolarHBondContact O-N 3.25Å; D138-L141 VanDerWaalsContact O-N 3.09Å; Q139-L141 PolarHBondContact O-N 3.48Å; Q139-L141 VanDerWaalsContact O-N 3.15Å; L141-S143 PolarHBondContact O-N 3.21Å; L141-S143 VanDerWaalsContact O-N 3.16Å; L141-K144 HydrophobicContact CD2-CD 4.08Å; L141-K144 WeakPolarHBondContact O-CB 3.46Å; L141-K144 PolarHBondContact O-N 2.97Å; L141-Y145 WeakPolarHBondContact O-CD2 3.22Å; L141-L184 HydrophobicContact CD1-CD1 3.94Å; L141-T187 HydrophobicContact CD1-CG2 3.78Å; L141-L191 HydrophobicContact CB-CD1 3.78Å; L141-L191 HydrophobicContact CD1-CD1 4.16Å; L141-L191 HydrophobicContact CD2-CD1 4.32Å; L141-L191 HydrophobicContact CG-CD1 4.32Å
142	A	96.8	Very high	95.2	Very high	21 Å²	21	71.4 Å²	71.4	17%	0.174	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-55.4	-37.1	-175.4	0	0	0	0	0	113.5	C135 Q139 R140 K144 Y145 Y154	C135-A142 HydrophobicContact CB-CB 3.96Å; Q139-A142 WeakPolarHBondContact O-CB 3.47Å; Q139-A142 PolarHBondContact O-N 3.43Å; Q139-A142 VanDerWaalsContact O-N 3.08Å; R140-A142 VanDerWaalsContact C-N 3.29Å; A142-K144 VanDerWaalsContact C-N 3.27Å; A142-K144 PolarHBondContact O-N 2.84Å; A142-Y145 PolarHBondContact O-N 3.27Å; A142-Y154 HydrophobicContact CB-CE1 3.83Å
143	S	96.4	Very high	95.3	Very high	99 Å²	99	73.2 Å²	73.2	69%	0.692	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-70.4	-21.4	179.2	59.9	0	0	0	0	113.7	L141	L141-S143 PolarHBondContact O-N 3.21Å; L141-S143 VanDerWaalsContact O-N 3.16Å
144	K	97.2	Very high	95.5	Very high	135 Å²	135	73.7 Å²	73.7	59%	0.587	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-82.5	-19.3	178.8	-60.5	-175.5	179.6	179.4	0	112.8	L141 A142 L191	L141-K144 HydrophobicContact CD2-CD 4.08Å; L141-K144 WeakPolarHBondContact O-CB 3.46Å; L141-K144 PolarHBondContact O-N 2.97Å; A142-K144 VanDerWaalsContact C-N 3.27Å; A142-K144 PolarHBondContact O-N 2.84Å; K144-L191 HydrophobicContact CB-CD1 4.16Å; K144-L191 HydrophobicContact CB-CD2 3.99Å
145	Y	98.1	Very high	95.6	Very high	7 Å²	7	69 Å²	69	3%	0.027	34%	0.342	C	S	.	.	S	Bend	trans	-64.7	142.2	175	-84.2	-93.9	0	0	0	110.4	L141 A142 R153 Y154 L155 T187 Y190 L191 L203	L141-Y145 WeakPolarHBondContact O-CD2 3.22Å; A142-Y145 PolarHBondContact O-N 3.27Å; Y145-R153 WeakPolarHBondContact CD1-O 3.49Å; Y145-R153 PolarHBondContact O-NH2 3.24Å; Y145-Y154 HydrophobicContact CD1-CD1 4.19Å; Y145-Y154 AromaticContact CD2-CD1 3.66Å; Y145-Y154 HydrophobicContact CD2-CD1 3.66Å; Y145-Y154 HydrophobicContact CD2-CE1 4.08Å; Y145-Y154 HydrophobicContact CE1-CD1 4.4Å; Y145-Y154 AromaticContact CE2-CD1 3.88Å; Y145-Y154 HydrophobicContact CE2-CD1 3.88Å; Y145-Y154 AromaticContact CG-CD1 3.82Å; Y145-Y154 HydrophobicContact CG-CD1 3.82Å; Y145-Y154 HydrophobicContact CG-CE1 4.24Å; Y145-L155 HydrophobicContact CE1-CB 4.25Å; Y145-L155 WeakPolarHBondContact OH-CB 3.22Å; Y145-L155 PolarHBondContact OH-N 2.93Å; Y145-T187 HydrophobicContact CE2-CG2 4.14Å; Y145-T187 VanDerWaalsContact OH-CG2 3.28Å; Y145-T187 WeakPolarHBondContact OH-CG2 3.29Å; Y145-T187 PolarHBondContact OH-OG1 3.41Å; Y145-Y190 HydrophobicContact CD1-CD1 4.15Å; Y145-Y190 AromaticContact CD1-CE1 3.85Å; Y145-Y190 HydrophobicContact CD1-CE1 3.85Å; Y145-Y190 AromaticContact CE1-CD1 3.74Å; Y145-Y190 HydrophobicContact CE1-CD1 3.74Å; Y145-Y190 AromaticContact CE1-CE1 3.84Å; Y145-Y190 HydrophobicContact CE1-CE1 3.84Å; Y145-L191 HydrophobicContact CD1-CD2 4.04Å; Y145-L191 HydrophobicContact CD2-CD1 4.25Å; Y145-L191 HydrophobicContact CD2-CD2 3.67Å; Y145-L191 HydrophobicContact CD2-CG 4.42Å; Y145-L191 HydrophobicContact CE1-CD2 4.23Å; Y145-L191 HydrophobicContact CE2-CD1 3.91Å; Y145-L191 HydrophobicContact CE2-CD2 3.9Å; Y145-L191 HydrophobicContact CE2-CG 4.19Å; Y145-L191 HydrophobicContact CG-CD2 3.75Å; Y145-L203 HydrophobicContact CD1-CD1 4.4Å; Y145-L203 HydrophobicContact CE1-CD1 4.16Å
146	P	96.1	Very high	95.7	Very high	45 Å²	45	68.6 Å²	68.6	29%	0.292	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-51.1	145.9	168.2	-25.6	35.7	0	0	0	111.2	R153 R196	P146-R153 PolarHBondContact O-NE 2.87Å; P146-R196 VanDerWaalsContact CG-NH1 3.34Å
147	Q	94.9	Very high	95.8	Very high	148 Å²	148	63.6 Å²	63.6	69%	0.692	32%	0.32	S	S	*	.	P	Polyproline II helix	trans	-71.5	136.4	172.2	-67.2	-67.5	-13.1	0	0	108.9
148	V	92.8	Very high	96	Very high	37 Å²	37	62 Å²	62	22%	0.224	31%	0.31	C	S	.	.			trans	-122.7	120.6	-180	-179.3	0	0	0	0	106.8	S150 R153 H205	V148-S150 VanDerWaalsContact C-N 3.33Å; V148-S150 WeakPolarHBondContact CG1-O 3.17Å; V148-R153 HydrophobicContact CG2-CG 4.14Å; V148-H205 HydrophobicContact CG1-CB 4.28Å
149	H	86.3	Confident	96.1	Very high	205 Å²	205	60.6 Å²	60.6	95%	0.949	30%	0.303	S	S	*	.	S	Bend	trans	-69.8	-31.7	-178.5	-67.9	-65.7	0	0	0	112.9
150	S	90.1	Very high	96.3	Very high	52 Å²	52	53.2 Å²	53.2	36%	0.364	27%	0.269	S	S	.	.	S	Bend	trans	-154.2	126.5	-177.3	164.7	0	0	0	0	109.1	V148	V148-S150 VanDerWaalsContact C-N 3.33Å; V148-S150 WeakPolarHBondContact CG1-O 3.17Å
151	G	94.9	Very high	96.4	Very high	22 Å²	22	43.8 Å²	43.8	23%	0.227	23%	0.233	C	C	.	.	S	Bend	trans	119.7	174.6	-178.1	0	0	0	0	0	113.6	H205 Y236	G151-H205 CarbonylContact C-O 3.6Å; G151-H205 WeakPolarHBondContact CA-O 3.47Å; G151-Y236 WeakPolarHBondContact CA-OH 3.29Å
152	K	97.8	Very high	96.4	Very high	25 Å²	25	42.9 Å²	42.9	11%	0.109	23%	0.228	C	C	.	.			trans	-71.6	136.8	175.2	-56.6	-57.1	177.1	179.6	0	110.2	A131 H205 G215 E219 Y236	A131-K152 HydrophobicContact CB-CB 3.72Å; K152-H205 PolarHBondContact N-O 2.92Å; K152-H205 PolarHBondContact O-ND1 3.39Å; K152-G215 PolarHBondContact NZ-O 3.41Å; K152-E219 WeakPolarHBondContact CE-OE1 3.26Å; K152-E219 VanDerWaalsContact CE-OE2 3.26Å; K152-E219 WeakPolarHBondContact CE-OE2 3.32Å; K152-E219 VanDerWaalsContact NZ-CD 3.26Å; K152-E219 IonicContact NZ-OE1 3.69Å; K152-E219 PolarHBondContact NZ-OE1 3.39Å; K152-E219 IonicContact NZ-OE2 2.92Å; K152-E219 PolarHBondContact NZ-OE2 3.06Å; K152-Y236 HydrophobicContact CG-CE2 4.49Å
153	R	97.9	Very high	96.5	Very high	45 Å²	45	43.2 Å²	43.2	17%	0.17	23%	0.226	C	C	.	.			trans	-99.6	-27.8	-166	-174	174.2	179.9	-170.2	-3	114.3	E132 Y145 P146 V148 L203	E132-R153 PolarHBondContact O-N 2.79Å; Y145-R153 WeakPolarHBondContact CD1-O 3.49Å; Y145-R153 PolarHBondContact O-NH2 3.24Å; P146-R153 PolarHBondContact O-NE 2.87Å; V148-R153 HydrophobicContact CG2-CG 4.14Å; R153-L203 VanDerWaalsContact O-CD1 3.28Å; R153-L203 WeakPolarHBondContact O-CD1 3.46Å
154	Y	98.6	Very high	96.5	Very high	42 Å²	42	38.5 Å²	38.5	17%	0.165	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	151.3	-166.2	-51.2	-63.7	0	0	0	111.2	A131 E132 G133 F134 C135 A142 Y145	A131-Y154 CarbonylContact C-O 3.6Å; A131-Y154 VanDerWaalsContact CA-O 3.23Å; A131-Y154 WeakPolarHBondContact CA-O 3.38Å; E132-Y154 PolarHBondContact N-O 3.45Å; E132-Y154 PolarHBondContact O-N 3.24Å; G133-Y154 WeakPolarHBondContact O-CD2 3.4Å; G133-Y154 WeakPolarHBondContact O-CE2 3.33Å; F134-Y154 VanDerWaalsContact O-CB 3.24Å; F134-Y154 WeakPolarHBondContact O-CB 3.3Å; C135-Y154 HydrophobicContact CB-CD1 3.64Å; C135-Y154 HydrophobicContact CB-CD2 4.03Å; C135-Y154 HydrophobicContact CB-CE1 3.75Å; C135-Y154 HydrophobicContact CB-CE2 4.11Å; C135-Y154 HydrophobicContact CB-CG 3.77Å; A142-Y154 HydrophobicContact CB-CE1 3.83Å; Y145-Y154 HydrophobicContact CD1-CD1 4.19Å; Y145-Y154 AromaticContact CD2-CD1 3.66Å; Y145-Y154 HydrophobicContact CD2-CD1 3.66Å; Y145-Y154 HydrophobicContact CD2-CE1 4.08Å; Y145-Y154 HydrophobicContact CE1-CD1 4.4Å; Y145-Y154 AromaticContact CE2-CD1 3.88Å; Y145-Y154 HydrophobicContact CE2-CD1 3.88Å; Y145-Y154 AromaticContact CG-CD1 3.82Å; Y145-Y154 HydrophobicContact CG-CD1 3.82Å; Y145-Y154 HydrophobicContact CG-CE1 4.24Å
155	L	98.6	Very high	96.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	137.2	-178.9	-179.3	152.6	0	0	0	110.1	F129 Y145 Q183 Y190 L203	F129-L155 HydrophobicContact CB-CD1 3.93Å; F129-L155 HydrophobicContact CB-CG 3.92Å; F129-L155 HydrophobicContact CD1-CD1 3.83Å; F129-L155 HydrophobicContact CD1-CD2 4.28Å; F129-L155 HydrophobicContact CD1-CG 4.1Å; F129-L155 HydrophobicContact CD2-CD1 3.9Å; F129-L155 HydrophobicContact CE1-CD1 4.34Å; F129-L155 HydrophobicContact CE2-CD1 4.39Å; F129-L155 HydrophobicContact CG-CD1 3.61Å; F129-L155 HydrophobicContact CG-CG 4.03Å; Y145-L155 HydrophobicContact CE1-CB 4.25Å; Y145-L155 WeakPolarHBondContact OH-CB 3.22Å; Y145-L155 PolarHBondContact OH-N 2.93Å; L155-Q183 PolarHBondContact O-NE2 2.94Å; L155-Y190 HydrophobicContact CD1-CG 4.11Å; L155-L203 HydrophobicContact CB-CD1 4.35Å; L155-L203 HydrophobicContact CB-CD2 3.88Å; L155-L203 HydrophobicContact CD1-CD2 3.98Å; L155-L203 HydrophobicContact CG-CD2 4.08Å
156	N	98.6	Very high	96.4	Very high	7 Å²	7	33.5 Å²	33.5	4%	0.037	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	134.4	163.7	-179.7	-75.2	0	0	0	109.9	S130 E132 G158 Q183 N246	S130-N156 PolarHBondContact O-N 3.39Å; S130-N156 VanDerWaalsContact OG-CB 3.29Å; S130-N156 WeakPolarHBondContact OG-CB 3.41Å; S130-N156 PolarHBondContact OG-O 3.19Å; S130-N156 PolarHBondContact OG-OD1 3.06Å; E132-N156 HydrophobicContact CB-CB 4.13Å; E132-N156 HydrophobicContact CG-CB 3.94Å; E132-N156 VanDerWaalsContact OE1-CB 3.24Å; E132-N156 WeakPolarHBondContact OE1-CB 3.21Å; E132-N156 PolarHBondContact OE1-ND2 3.22Å; N156-G158 PolarHBondContact OD1-N 3.47Å; N156-Q183 PolarHBondContact ND2-OE1 3.47Å; N156-N246 PolarHBondContact ND2-ND2 3.23Å
157	S	98.1	Very high	96.5	Very high	4 Å²	4	31.4 Å²	31.4	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-8.6	-173.3	69.7	0	0	0	0	115.4	G159 Q183	S157-G159 PolarHBondContact O-N 3.19Å; S157-G159 VanDerWaalsContact O-N 3.15Å; S157-Q183 WeakPolarHBondContact OG-CA 3.26Å; S157-Q183 WeakPolarHBondContact OG-CB 3.46Å; S157-Q183 PolarHBondContact OG-N 2.77Å
158	G	97.5	Very high	96.6	Very high	2 Å²	2	24.5 Å²	24.5	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	-0.3	178.5	0	0	0	0	0	114.3	V102 D103 N156	V102-G158 CarbonylContact C-O 3.54Å; V102-G158 VanDerWaalsContact CA-O 3.29Å; V102-G158 WeakPolarHBondContact CA-O 3.47Å; D103-G158 PolarHBondContact N-O 3.47Å; D103-G158 WeakPolarHBondContact OD2-CA 3.24Å; N156-G158 PolarHBondContact OD1-N 3.47Å
159	G	98.5	Very high	96.8	Very high	2 Å²	2	24 Å²	24	2%	0.021	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	127.6	172.4	0	0	0	0	0	112.7	F101 S130 S157	F101-G159 CarbonylContact O-C 3.55Å; F101-G159 WeakPolarHBondContact O-CA 3.37Å; S130-G159 VanDerWaalsContact CB-O 3.25Å; S130-G159 WeakPolarHBondContact CB-O 3.37Å; S130-G159 PolarHBondContact N-O 3.42Å; S130-G159 PolarHBondContact OG-O 3.07Å; S157-G159 PolarHBondContact O-N 3.19Å; S157-G159 VanDerWaalsContact O-N 3.15Å
160	F	98.8	Very high	97.4	Very high	1 Å²	1	14.2 Å²	14.2	0%	0.004	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.7	170.5	54	-93.1	0	0	0	112.1	L84 M100 F101 V128 F129 L167 Y186	L84-F160 HydrophobicContact CD2-CE2 4.12Å; L84-F160 HydrophobicContact CD2-CZ 3.6Å; M100-F160 CarbonylContact C-O 3.56Å; M100-F160 VanDerWaalsContact CA-O 3.31Å; M100-F160 WeakPolarHBondContact CA-O 3.47Å; F101-F160 HydrophobicContact CB-CD1 4.27Å; F101-F160 HydrophobicContact CB-CD2 3.94Å; F101-F160 HydrophobicContact CB-CE1 3.82Å; F101-F160 HydrophobicContact CB-CE2 3.44Å; F101-F160 VanDerWaalsContact CB-CE2 3.44Å; F101-F160 HydrophobicContact CB-CG 4.34Å; F101-F160 HydrophobicContact CB-CZ 3.38Å; F101-F160 HydrophobicContact CD1-CD1 4.13Å; F101-F160 AromaticContact CD1-CE1 3.4Å; F101-F160 HydrophobicContact CD1-CE1 3.4Å; F101-F160 VanDerWaalsContact CD1-CE1 3.4Å; F101-F160 AromaticContact CD1-CZ 3.66Å; F101-F160 HydrophobicContact CD1-CZ 3.66Å; F101-F160 HydrophobicContact CE1-CE1 4.29Å; F101-F160 AromaticContact CG-CE1 3.87Å; F101-F160 HydrophobicContact CG-CE1 3.87Å; F101-F160 HydrophobicContact CG-CE2 4.21Å; F101-F160 AromaticContact CG-CZ 3.63Å; F101-F160 HydrophobicContact CG-CZ 3.63Å; F101-F160 PolarHBondContact N-O 3.18Å; F101-F160 PolarHBondContact O-N 3.37Å; V128-F160 CarbonylContact O-C 3.57Å; V128-F160 VanDerWaalsContact O-CA 3.27Å; V128-F160 WeakPolarHBondContact O-CA 3.24Å; V128-F160 WeakPolarHBondContact O-CB 3.39Å; F129-F160 HydrophobicContact CB-CB 4.37Å; F129-F160 HydrophobicContact CD1-CB 3.47Å; F129-F160 VanDerWaalsContact CD1-CB 3.47Å; F129-F160 AromaticContact CD1-CD1 3.83Å; F129-F160 HydrophobicContact CD1-CD1 3.83Å; F129-F160 AromaticContact CD1-CG 3.83Å; F129-F160 HydrophobicContact CD1-CG 3.83Å; F129-F160 HydrophobicContact CE1-CB 3.83Å; F129-F160 AromaticContact CE1-CD1 3.68Å; F129-F160 HydrophobicContact CE1-CD1 3.68Å; F129-F160 HydrophobicContact CE1-CD2 4.32Å; F129-F160 HydrophobicContact CE1-CE1 4.27Å; F129-F160 AromaticContact CE1-CG 3.7Å; F129-F160 HydrophobicContact CE1-CG 3.7Å; F129-F160 HydrophobicContact CG-CB 3.96Å; F129-F160 HydrophobicContact CZ-CG 4.5Å; F160-L167 HydrophobicContact CD2-CD1 4.48Å; F160-L167 HydrophobicContact CD2-CD2 3.83Å; F160-L167 HydrophobicContact CE2-CD1 4.5Å; F160-L167 HydrophobicContact CE2-CD2 3.97Å; F160-Y186 HydrophobicContact CE1-CE2 4.15Å; F160-Y186 AromaticContact CE1-CZ 3.99Å; F160-Y186 HydrophobicContact CZ-CE1 4.34Å; F160-Y186 HydrophobicContact CZ-CE2 4.5Å; F160-Y186 AromaticContact CZ-CZ 3.91Å
161	I	98.8	Very high	97.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	140.8	179.2	-175.4	169.1	0	0	0	110.5	L30 V98 V99 M100 L116 F120 V127 V128 I209 F210	L30-I161 HydrophobicContact CD1-CD1 4.4Å; V98-I161 HydrophobicContact CG1-CD1 3.81Å; V98-I161 HydrophobicContact CG1-CG1 3.61Å; V99-I161 CarbonylContact O-C 3.39Å; V99-I161 WeakPolarHBondContact O-CA 3.47Å; M100-I161 HydrophobicContact CB-CB 4.19Å; M100-I161 HydrophobicContact CB-CD1 4.22Å; M100-I161 HydrophobicContact CB-CG1 4.12Å; M100-I161 HydrophobicContact CG-CB 4.24Å; L116-I161 HydrophobicContact CD1-CD1 3.99Å; L116-I161 HydrophobicContact CD2-CD1 4.03Å; L116-I161 HydrophobicContact CG-CD1 3.89Å; F120-I161 HydrophobicContact CB-CD1 4.13Å; F120-I161 HydrophobicContact CD1-CD1 4.38Å; F120-I161 HydrophobicContact CD2-CD1 4.47Å; F120-I161 HydrophobicContact CD2-CG1 4.26Å; F120-I161 HydrophobicContact CD2-CG2 3.6Å; F120-I161 HydrophobicContact CE2-CG1 4.49Å; F120-I161 HydrophobicContact CE2-CG2 4.08Å; F120-I161 HydrophobicContact CG-CD1 4.08Å; F120-I161 HydrophobicContact CG-CG1 4.28Å; F120-I161 HydrophobicContact CG-CG2 4.23Å; V127-I161 WeakPolarHBondContact CA-O 3.45Å; V128-I161 HydrophobicContact CB-CG2 4Å; V128-I161 PolarHBondContact N-O 3Å; V128-I161 PolarHBondContact O-N 3.44Å; I161-I209 HydrophobicContact CG2-CD1 4.26Å; I161-F210 HydrophobicContact CB-CZ 4.18Å; I161-F210 HydrophobicContact CG2-CE2 3.96Å; I161-F210 HydrophobicContact CG2-CZ 3.94Å
162	G	98.3	Very high	97.8	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	176	177.8	0	0	0	0	0	113.6	V98 V99 R126	V98-G162 WeakPolarHBondContact CA-O 3.32Å; V99-G162 PolarHBondContact N-O 3.35Å; V99-G162 PolarHBondContact O-N 3.19Å; R126-G162 WeakPolarHBondContact O-CA 3.28Å
163	F	97.9	Very high	97.8	Very high	28 Å²	28	17.6 Å²	17.6	12%	0.123	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	137.2	173.7	-66.3	-79.8	0	0	0	110.8	L25 V98 F120 R126 S165 D166 L167	L25-F163 HydrophobicContact CD2-CE1 4.16Å; L25-F163 HydrophobicContact CD2-CZ 4.39Å; V98-F163 HydrophobicContact CG2-CD1 4.15Å; V98-F163 HydrophobicContact CG2-CE1 4.07Å; F120-F163 HydrophobicContact CE1-CE2 4.28Å; F120-F163 HydrophobicContact CE1-CZ 4.41Å; F120-F163 HydrophobicContact CZ-CD2 4.49Å; F120-F163 HydrophobicContact CZ-CE2 4.27Å; R126-F163 HydrophobicContact CB-CD2 3.98Å; R126-F163 HydrophobicContact CB-CE2 4.42Å; R126-F163 HydrophobicContact CG-CD2 4.2Å; R126-F163 HydrophobicContact CG-CE2 4.32Å; R126-F163 PolarHBondContact O-N 3.23Å; R126-F163 VanDerWaalsContact O-N 3.15Å; F163-S165 VanDerWaalsContact C-N 3.27Å; F163-S165 PolarHBondContact O-N 3.43Å; F163-D166 PolarHBondContact O-N 3.48Å; F163-L167 PolarHBondContact O-N 2.71Å
164	S	96.8	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-51.3	-45.2	-176.5	-179.8	0	0	0	0	112.5	H91 L97 D166 L167 A168	H91-S164 VanDerWaalsContact CB-OG 3.24Å; H91-S164 WeakPolarHBondContact CB-OG 3.42Å; H91-S164 PolarHBondContact O-OG 3.21Å; L97-S164 WeakPolarHBondContact O-CB 3.14Å; L97-S164 PolarHBondContact O-N 2.97Å; S164-D166 VanDerWaalsContact C-N 3.35Å; S164-D166 PolarHBondContact O-N 3.26Å; S164-L167 PolarHBondContact O-N 2.75Å; S164-A168 VanDerWaalsContact O-CB 3.23Å; S164-A168 WeakPolarHBondContact O-CB 3.39Å; S164-A168 PolarHBondContact O-N 3.48Å
165	S	95.9	Very high	97.6	Very high	19 Å²	19	22.7 Å²	22.7	13%	0.133	11%	0.112	C	C	.	.	H	α-helix	trans	-60	-39.3	179.5	62.5	0	0	0	0	113.9	F163 A169	F163-S165 VanDerWaalsContact C-N 3.27Å; F163-S165 PolarHBondContact O-N 3.43Å; S165-A169 PolarHBondContact O-N 2.84Å
166	D	97.3	Very high	97.5	Very high	19 Å²	19	27 Å²	27	10%	0.102	13%	0.131	C	C	.	.	H	α-helix	trans	-75.5	-43	179.5	-63.5	-68.1	0	0	0	111	R126 V127 F163 S164 A169 I170 F199	R126-D166 IonicContact CZ-OD2 3.63Å; R126-D166 IonicContact NE-OD1 3.75Å; R126-D166 IonicContact NE-OD2 3.73Å; R126-D166 PolarHBondContact NE-OD2 3.39Å; R126-D166 IonicContact NH2-OD2 3.7Å; R126-D166 PolarHBondContact NH2-OD2 3.38Å; V127-D166 HydrophobicContact CG2-CB 3.76Å; F163-D166 PolarHBondContact O-N 3.48Å; S164-D166 VanDerWaalsContact C-N 3.35Å; S164-D166 PolarHBondContact O-N 3.26Å; D166-A169 PolarHBondContact O-N 2.98Å; D166-I170 WeakPolarHBondContact O-CG1 3.28Å; D166-I170 PolarHBondContact O-N 3.21Å; D166-F199 HydrophobicContact CB-CD1 4.21Å
167	L	97.9	Very high	97.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-62.6	-43.8	177.1	-67.6	177.1	0	0	0	111	L88 V99 V127 F160 F163 S164 A169 I170 V171	L88-L167 HydrophobicContact CD1-CB 3.72Å; V99-L167 HydrophobicContact CB-CD1 3.87Å; V99-L167 HydrophobicContact CG1-CD1 4.36Å; V99-L167 WeakPolarHBondContact O-CD1 3.28Å; V127-L167 HydrophobicContact CG1-CD2 3.82Å; V127-L167 HydrophobicContact CG2-CD2 4.14Å; F160-L167 HydrophobicContact CD2-CD1 4.48Å; F160-L167 HydrophobicContact CD2-CD2 3.83Å; F160-L167 HydrophobicContact CE2-CD1 4.5Å; F160-L167 HydrophobicContact CE2-CD2 3.97Å; F163-L167 PolarHBondContact O-N 2.71Å; S164-L167 PolarHBondContact O-N 2.75Å; L167-A169 VanDerWaalsContact C-N 3.33Å; L167-A169 PolarHBondContact O-N 2.88Å; L167-I170 WeakPolarHBondContact O-CB 3.41Å; L167-I170 PolarHBondContact O-N 2.87Å; L167-I170 VanDerWaalsContact O-N 3.12Å; L167-V171 WeakPolarHBondContact O-CG2 3.34Å; L167-V171 PolarHBondContact O-N 3.3Å
168	A	97.4	Very high	97.2	Very high	3 Å²	3	36.9 Å²	36.9	3%	0.025	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-46.8	174.4	0	0	0	0	0	111.4	L88 S164 I170 V171 Q172	L88-A168 HydrophobicContact CB-CB 4.15Å; S164-A168 VanDerWaalsContact O-CB 3.23Å; S164-A168 WeakPolarHBondContact O-CB 3.39Å; S164-A168 PolarHBondContact O-N 3.48Å; A168-I170 VanDerWaalsContact C-N 3.31Å; A168-I170 PolarHBondContact O-N 3.43Å; A168-V171 WeakPolarHBondContact O-CG2 3.43Å; A168-V171 PolarHBondContact O-N 3.44Å; A168-Q172 WeakPolarHBondContact O-CB 3.44Å; A168-Q172 PolarHBondContact O-N 3.01Å
169	A	97.1	Very high	97	Very high	26 Å²	26	40.9 Å²	40.9	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-66.5	-28.6	178.1	0	0	0	0	0	113.7	S165 D166 L167 Q173 F199	S165-A169 PolarHBondContact O-N 2.84Å; D166-A169 PolarHBondContact O-N 2.98Å; L167-A169 VanDerWaalsContact C-N 3.33Å; L167-A169 PolarHBondContact O-N 2.88Å; A169-Q173 PolarHBondContact O-NE2 3.48Å; A169-Q173 VanDerWaalsContact O-NE2 3.07Å; A169-F199 HydrophobicContact CB-CE1 3.6Å; A169-F199 HydrophobicContact CB-CZ 3.89Å
170	I	97.8	Very high	96.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-71.4	-57.3	172.6	-70.9	166.7	0	0	0	109.8	V127 D166 L167 A168 Q172 Q173 Y186 I189 F199 M201	V127-I170 HydrophobicContact CG1-CD1 4.34Å; V127-I170 HydrophobicContact CG2-CD1 4.18Å; D166-I170 WeakPolarHBondContact O-CG1 3.28Å; D166-I170 PolarHBondContact O-N 3.21Å; L167-I170 WeakPolarHBondContact O-CB 3.41Å; L167-I170 PolarHBondContact O-N 2.87Å; L167-I170 VanDerWaalsContact O-N 3.12Å; A168-I170 VanDerWaalsContact C-N 3.31Å; A168-I170 PolarHBondContact O-N 3.43Å; I170-Q172 VanDerWaalsContact C-N 3.26Å; I170-Q172 PolarHBondContact O-N 2.81Å; I170-Q173 VanDerWaalsContact O-CB 3.29Å; I170-Q173 WeakPolarHBondContact O-CB 3.43Å; I170-Q173 PolarHBondContact O-N 2.91Å; I170-Q173 VanDerWaalsContact O-N 3.09Å; I170-Y186 HydrophobicContact CG2-CD1 4.1Å; I170-Y186 HydrophobicContact CG2-CE1 3.98Å; I170-I189 HydrophobicContact CG2-CD1 3.89Å; I170-I189 HydrophobicContact CG2-CG2 4.31Å; I170-F199 HydrophobicContact CD1-CB 4.26Å; I170-F199 HydrophobicContact CD1-CD2 4.1Å; I170-F199 HydrophobicContact CD1-CG 4.11Å; I170-F199 HydrophobicContact CG1-CD1 4.4Å; I170-F199 HydrophobicContact CG1-CD2 3.71Å; I170-F199 HydrophobicContact CG1-CE1 4.46Å; I170-F199 HydrophobicContact CG1-CE2 3.76Å; I170-F199 HydrophobicContact CG1-CG 4.04Å; I170-F199 HydrophobicContact CG1-CZ 4.15Å; I170-M201 HydrophobicContact CD1-SD 3.81Å
171	V	97.4	Very high	96.8	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	21%	0.209	C	C	.	.	H	α-helix	trans	-67.9	-25.1	-174.7	-59.3	0	0	0	0	112.9	L84 K85 L88 L167 A168 Q173 W174 Y186	L84-V171 HydrophobicContact CD2-CG1 4Å; L84-V171 HydrophobicContact CG-CG1 4.3Å; K85-V171 HydrophobicContact CB-CB 4.11Å; K85-V171 HydrophobicContact CB-CG2 3.95Å; K85-V171 HydrophobicContact CG-CG2 4.37Å; L88-V171 HydrophobicContact CB-CG2 4.2Å; L88-V171 HydrophobicContact CD1-CG1 4.19Å; L88-V171 HydrophobicContact CD1-CG2 3.87Å; L167-V171 WeakPolarHBondContact O-CG2 3.34Å; L167-V171 PolarHBondContact O-N 3.3Å; A168-V171 WeakPolarHBondContact O-CG2 3.43Å; A168-V171 PolarHBondContact O-N 3.44Å; V171-Q173 PolarHBondContact O-N 3.01Å; V171-Q173 VanDerWaalsContact O-N 3.12Å; V171-W174 WeakPolarHBondContact O-CB 3.29Å; V171-W174 PolarHBondContact O-N 3Å; V171-Y186 HydrophobicContact CG1-CE1 4.31Å
172	Q	96.9	Very high	96.7	Very high	111 Å²	111	45 Å²	45	52%	0.519	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.5	174.3	-168.3	176.9	26.5	0	0	112.7	L89 A168 I170 W174	L89-Q172 HydrophobicContact CD2-CG 4.45Å; A168-Q172 WeakPolarHBondContact O-CB 3.44Å; A168-Q172 PolarHBondContact O-N 3.01Å; I170-Q172 VanDerWaalsContact C-N 3.26Å; I170-Q172 PolarHBondContact O-N 2.81Å; Q172-W174 PolarHBondContact O-N 2.89Å
173	Q	97.4	Very high	96.6	Very high	58 Å²	58	45.4 Å²	45.4	27%	0.271	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-10.7	176.3	-58.3	174.8	54.9	0	0	113.1	A169 I170 V171 K175 F185 I189	A169-Q173 PolarHBondContact O-NE2 3.48Å; A169-Q173 VanDerWaalsContact O-NE2 3.07Å; I170-Q173 VanDerWaalsContact O-CB 3.29Å; I170-Q173 WeakPolarHBondContact O-CB 3.43Å; I170-Q173 PolarHBondContact O-N 2.91Å; I170-Q173 VanDerWaalsContact O-N 3.09Å; V171-Q173 PolarHBondContact O-N 3.01Å; V171-Q173 VanDerWaalsContact O-N 3.12Å; Q173-K175 PolarHBondContact O-N 2.93Å; Q173-F185 HydrophobicContact CB-CE2 4.31Å; Q173-F185 HydrophobicContact CB-CZ 4.41Å; Q173-I189 HydrophobicContact CB-CD1 4.43Å
174	W	97.4	Very high	96.6	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.03	22%	0.216	C	C	.	.			trans	-63.6	120.8	173.8	-178	-97.9	0	0	0	111.1	G78 V81 K85 V171 Q172 F176 R177 D180 F185	G78-W174 WeakPolarHBondContact O-CZ2 3.43Å; V81-W174 HydrophobicContact CB-CD2 3.84Å; V81-W174 HydrophobicContact CB-CE3 3.87Å; V81-W174 HydrophobicContact CB-CG 4.26Å; V81-W174 HydrophobicContact CB-CZ3 4.25Å; V81-W174 HydrophobicContact CG1-CB 3.81Å; V81-W174 HydrophobicContact CG1-CD2 3.66Å; V81-W174 HydrophobicContact CG1-CE3 3.63Å; V81-W174 HydrophobicContact CG1-CG 3.76Å; V81-W174 HydrophobicContact CG1-CZ3 4.42Å; V81-W174 HydrophobicContact CG2-CE3 4.21Å; V81-W174 HydrophobicContact CG2-CZ3 4.18Å; K85-W174 HydrophobicContact CD-CB 4.42Å; K85-W174 PolarHBondContact NZ-O 3.2Å; V171-W174 WeakPolarHBondContact O-CB 3.29Å; V171-W174 PolarHBondContact O-N 3Å; Q172-W174 PolarHBondContact O-N 2.89Å; W174-F176 HydrophobicContact CD2-CB 4.07Å; W174-F176 AromaticContact CD2-CD2 4Å; W174-F176 HydrophobicContact CD2-CD2 4Å; W174-F176 HydrophobicContact CE3-CB 4.13Å; W174-F176 AromaticContact CE3-CD2 3.59Å; W174-F176 HydrophobicContact CE3-CD2 3.59Å; W174-F176 HydrophobicContact CE3-CG 4.32Å; W174-F176 HydrophobicContact CH2-CB 3.63Å; W174-F176 HydrophobicContact CH2-CD2 4.43Å; W174-F176 HydrophobicContact CH2-CG 4.41Å; W174-F176 HydrophobicContact CZ2-CB 3.57Å; W174-F176 HydrophobicContact CZ3-CB 3.92Å; W174-F176 AromaticContact CZ3-CD2 3.83Å; W174-F176 HydrophobicContact CZ3-CD2 3.83Å; W174-F176 HydrophobicContact CZ3-CG 4.24Å; W174-F176 PolarHBondContact NE1-O 3Å; W174-R177 VanDerWaalsContact CZ2-O 3.25Å; W174-R177 WeakPolarHBondContact CZ2-O 3.35Å; W174-D180 HydrophobicContact CH2-CB 3.97Å; W174-D180 HydrophobicContact CZ2-CB 4.46Å; W174-F185 HydrophobicContact CB-CE2 4.3Å; W174-F185 HydrophobicContact CB-CZ 4.06Å; W174-F185 HydrophobicContact CE3-CB 3.93Å; W174-F185 AromaticContact CE3-CD1 3.78Å; W174-F185 HydrophobicContact CE3-CD1 3.78Å; W174-F185 AromaticContact CE3-CD2 3.73Å; W174-F185 HydrophobicContact CE3-CD2 3.73Å; W174-F185 HydrophobicContact CE3-CE1 4.17Å; W174-F185 HydrophobicContact CE3-CE2 4.1Å; W174-F185 AromaticContact CE3-CG 3.54Å; W174-F185 HydrophobicContact CE3-CG 3.54Å; W174-F185 HydrophobicContact CE3-CZ 4.31Å; W174-F185 HydrophobicContact CZ3-CB 3.6Å; W174-F185 HydrophobicContact CZ3-CD1 4.19Å; W174-F185 HydrophobicContact CZ3-CD2 4.24Å; W174-F185 AromaticContact CZ3-CG 3.77Å; W174-F185 HydrophobicContact CZ3-CG 3.77Å
175	K	95.3	Very high	96.7	Very high	185 Å²	185	46.1 Å²	46.1	80%	0.804	22%	0.218	S	C	*	.			trans	-138.2	20.8	178.7	-59.5	179.4	-175.1	-179.4	0	111.5	Q173	Q173-K175 PolarHBondContact O-N 2.93Å
176	F	95.7	Very high	96.8	Very high	93 Å²	93	45.4 Å²	45.4	41%	0.408	21%	0.213	S	C	.	.	S	Bend	trans	-102.7	174.2	-171.7	-59	-76.4	0	0	0	110.4	W174 D180 F185	W174-F176 HydrophobicContact CD2-CB 4.07Å; W174-F176 AromaticContact CD2-CD2 4Å; W174-F176 HydrophobicContact CD2-CD2 4Å; W174-F176 HydrophobicContact CE3-CB 4.13Å; W174-F176 AromaticContact CE3-CD2 3.59Å; W174-F176 HydrophobicContact CE3-CD2 3.59Å; W174-F176 HydrophobicContact CE3-CG 4.32Å; W174-F176 HydrophobicContact CH2-CB 3.63Å; W174-F176 HydrophobicContact CH2-CD2 4.43Å; W174-F176 HydrophobicContact CH2-CG 4.41Å; W174-F176 HydrophobicContact CZ2-CB 3.57Å; W174-F176 HydrophobicContact CZ3-CB 3.92Å; W174-F176 AromaticContact CZ3-CD2 3.83Å; W174-F176 HydrophobicContact CZ3-CD2 3.83Å; W174-F176 HydrophobicContact CZ3-CG 4.24Å; W174-F176 PolarHBondContact NE1-O 3Å; F176-D180 HydrophobicContact CB-CB 3.88Å; F176-D180 WeakPolarHBondContact CB-OD2 3.3Å; F176-F185 HydrophobicContact CD2-CD2 4.01Å; F176-F185 AromaticContact CE2-CD2 3.67Å; F176-F185 HydrophobicContact CE2-CD2 3.67Å; F176-F185 HydrophobicContact CE2-CE2 4.16Å
177	R	95.8	Very high	96.9	Very high	184 Å²	184	44.7 Å²	44.7	69%	0.694	21%	0.209	S	C	*	.			trans	-81.5	158.1	-178.6	-60.1	177.8	179.7	-179.4	0.2	111.1	W174 N179 D180	W174-R177 VanDerWaalsContact CZ2-O 3.25Å; W174-R177 WeakPolarHBondContact CZ2-O 3.35Å; R177-N179 VanDerWaalsContact CB-OD1 3.31Å; R177-N179 WeakPolarHBondContact CB-OD1 3.28Å; R177-N179 PolarHBondContact O-N 3.33Å; R177-N179 VanDerWaalsContact O-N 3.11Å; R177-D180 WeakPolarHBondContact CB-OD2 3.44Å; R177-D180 PolarHBondContact N-OD2 2.9Å; R177-D180 WeakPolarHBondContact O-CB 3.45Å; R177-D180 PolarHBondContact O-N 2.83Å
178	D	94.7	Very high	96.9	Very high	33 Å²	33	51 Å²	51	18%	0.176	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-29.8	179.5	-79.3	8.7	0	0	0	113.2	K67 G68 G78 Q79 R82	K67-D178 HydrophobicContact CB-CB 4.08Å; G68-D178 WeakPolarHBondContact CA-O 3.39Å; G78-D178 CarbonylContact C-O 3.55Å; G78-D178 WeakPolarHBondContact CA-O 3.33Å; G78-D178 PolarHBondContact N-O 2.84Å; G78-D178 VanDerWaalsContact N-O 3.12Å; Q79-D178 HydrophobicContact CB-CB 3.96Å; Q79-D178 HydrophobicContact CG-CB 4.33Å; Q79-D178 PolarHBondContact N-O 2.74Å; R82-D178 WeakPolarHBondContact CD-OD1 3.32Å; R82-D178 IonicContact CZ-OD1 2.81Å; R82-D178 IonicContact CZ-OD2 3.46Å; R82-D178 IonicContact NE-OD1 2.85Å; R82-D178 PolarHBondContact NE-OD1 2.72Å; R82-D178 IonicContact NE-OD2 3.8Å; R82-D178 PolarHBondContact NE-OD2 2.98Å; R82-D178 IonicContact NH2-OD1 3.61Å; R82-D178 IonicContact NH2-OD2 2.7Å; R82-D178 PolarHBondContact NH2-OD2 3.41Å
179	N	94	Very high	96.9	Very high	86 Å²	86	51.4 Å²	51.4	46%	0.46	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	4.4	177.7	71.3	-32.5	0	0	0	114.7	R177	R177-N179 VanDerWaalsContact CB-OD1 3.31Å; R177-N179 WeakPolarHBondContact CB-OD1 3.28Å; R177-N179 PolarHBondContact O-N 3.33Å; R177-N179 VanDerWaalsContact O-N 3.11Å
180	D	96	Very high	97	Very high	63 Å²	63	50.5 Å²	50.5	34%	0.337	23%	0.225	S	C	.	.	S	Bend	trans	-73.5	156.2	169.7	-76.4	-43.9	0	0	0	110.1	G76 G78 W174 F176 R177 D182	G76-D180 CarbonylContact C-O 3.15Å; G78-D180 WeakPolarHBondContact CA-O 3.26Å; G78-D180 PolarHBondContact N-O 3.44Å; W174-D180 HydrophobicContact CH2-CB 3.97Å; W174-D180 HydrophobicContact CZ2-CB 4.46Å; F176-D180 HydrophobicContact CB-CB 3.88Å; F176-D180 WeakPolarHBondContact CB-OD2 3.3Å; R177-D180 WeakPolarHBondContact CB-OD2 3.44Å; R177-D180 PolarHBondContact N-OD2 2.9Å; R177-D180 WeakPolarHBondContact O-CB 3.45Å; R177-D180 PolarHBondContact O-N 2.83Å; D180-D182 PolarHBondContact O-N 2.92Å
181	D	96.4	Very high	97	Very high	14 Å²	14	51.8 Å²	51.8	8%	0.075	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-75.5	120.2	-172.5	-165.9	-107.4	0	0	0	112.8	V75 G76 W136 P137 Q183 L184 F185	V75-D181 HydrophobicContact CB-CB 4.04Å; V75-D181 VanDerWaalsContact CB-OD2 3.3Å; V75-D181 WeakPolarHBondContact CB-OD2 3.49Å; G76-D181 PolarHBondContact N-OD2 3.12Å; G76-D181 WeakPolarHBondContact O-CA 3.09Å; W136-D181 WeakPolarHBondContact CH2-OD2 3.41Å; W136-D181 VanDerWaalsContact CZ3-OD2 3.22Å; W136-D181 WeakPolarHBondContact CZ3-OD2 3.39Å; P137-D181 WeakPolarHBondContact CD-OD1 3.11Å; P137-D181 WeakPolarHBondContact CG-OD1 3.4Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.23Å; D181-Q183 PolarHBondContact OD1-N 3.37Å; D181-L184 HydrophobicContact CB-CB 3.84Å; D181-L184 VanDerWaalsContact OD1-CB 3.22Å; D181-L184 WeakPolarHBondContact OD1-CB 3.35Å; D181-L184 PolarHBondContact OD1-N 3.32Å; D181-F185 PolarHBondContact O-N 3.44Å
182	D	96.3	Very high	97	Very high	13 Å²	13	55.1 Å²	55.1	7%	0.07	25%	0.25	C	S	.	.	H	α-helix	trans	-64.8	-44.6	177.1	60.1	-13.1	0	0	0	111.8	G76 K80 V81 D180 L184 F185 Y186	G76-D182 PolarHBondContact O-N 3.15Å; G76-D182 VanDerWaalsContact O-N 3.11Å; G76-D182 VanDerWaalsContact O-OD1 3.09Å; K80-D182 WeakPolarHBondContact CE-OD2 3.49Å; K80-D182 IonicContact NZ-OD2 3.5Å; K80-D182 PolarHBondContact NZ-OD2 3.16Å; V81-D182 HydrophobicContact CG2-CB 3.56Å; D180-D182 PolarHBondContact O-N 2.92Å; D182-L184 PolarHBondContact O-N 3.14Å; D182-F185 WeakPolarHBondContact O-CB 3.43Å; D182-F185 PolarHBondContact O-N 3.31Å; D182-Y186 WeakPolarHBondContact O-CD2 3.46Å; D182-Y186 PolarHBondContact O-N 2.97Å; D182-Y186 VanDerWaalsContact O-N 3.14Å
183	Q	97.8	Very high	97	Very high	9 Å²	9	56.4 Å²	56.4	4%	0.042	26%	0.256	C	S	.	.	H	α-helix	trans	-62.6	-41.5	-179.9	-177.9	150.5	-51.1	0	0	112.9	E132 W136 L155 N156 S157 D181 F185 Y186 T187	E132-Q183 PolarHBondContact OE1-NE2 3.1Å; E132-Q183 VanDerWaalsContact OE1-NE2 3.12Å; W136-Q183 HydrophobicContact CE3-CB 4.24Å; W136-Q183 HydrophobicContact CE3-CG 4.25Å; W136-Q183 HydrophobicContact CZ3-CB 4.07Å; W136-Q183 PolarHBondContact O-NE2 2.8Å; L155-Q183 PolarHBondContact O-NE2 2.94Å; N156-Q183 PolarHBondContact ND2-OE1 3.47Å; S157-Q183 WeakPolarHBondContact OG-CA 3.26Å; S157-Q183 WeakPolarHBondContact OG-CB 3.46Å; S157-Q183 PolarHBondContact OG-N 2.77Å; D181-Q183 WeakPolarHBondContact OD1-CB 3.23Å; D181-Q183 PolarHBondContact OD1-N 3.37Å; Q183-F185 VanDerWaalsContact C-N 3.32Å; Q183-F185 PolarHBondContact O-N 3.22Å; Q183-Y186 PolarHBondContact O-N 2.75Å; Q183-T187 WeakPolarHBondContact O-CB 3.47Å; Q183-T187 PolarHBondContact O-N 2.96Å; Q183-T187 PolarHBondContact O-OG1 2.88Å
184	L	97.9	Very high	97	Very high	31 Å²	31	62 Å²	62	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-65.6	-36.4	177.2	-174.6	58.2	0	0	0	111.5	P137 D138 L141 D181 D182 R188	P137-L184 HydrophobicContact CG-CB 3.94Å; P137-L184 HydrophobicContact CG-CD1 4.33Å; P137-L184 HydrophobicContact CG-CD2 4.34Å; P137-L184 HydrophobicContact CG-CG 4.43Å; D138-L184 HydrophobicContact CB-CD1 4.28Å; L141-L184 HydrophobicContact CD1-CD1 3.94Å; D181-L184 HydrophobicContact CB-CB 3.84Å; D181-L184 VanDerWaalsContact OD1-CB 3.22Å; D181-L184 WeakPolarHBondContact OD1-CB 3.35Å; D181-L184 PolarHBondContact OD1-N 3.32Å; D182-L184 PolarHBondContact O-N 3.14Å; L184-R188 HydrophobicContact CD1-CG 4.41Å; L184-R188 WeakPolarHBondContact O-CB 3.49Å; L184-R188 VanDerWaalsContact O-CG 3.26Å; L184-R188 WeakPolarHBondContact O-CG 3.2Å; L184-R188 PolarHBondContact O-N 3.01Å
185	F	98.4	Very high	97.1	Very high	12 Å²	12	63.2 Å²	63.2	5%	0.053	29%	0.286	C	S	.	.	H	α-helix	trans	-61	-53.9	174.3	163.6	-106	0	0	0	111.6	V81 Q173 W174 F176 D181 D182 Q183 T187 R188 I189	V81-F185 HydrophobicContact CG1-CD1 4.02Å; V81-F185 HydrophobicContact CG1-CE1 3.73Å; V81-F185 HydrophobicContact CG1-CZ 4.46Å; V81-F185 HydrophobicContact CG2-CD1 4.5Å; Q173-F185 HydrophobicContact CB-CE2 4.31Å; Q173-F185 HydrophobicContact CB-CZ 4.41Å; W174-F185 HydrophobicContact CB-CE2 4.3Å; W174-F185 HydrophobicContact CB-CZ 4.06Å; W174-F185 HydrophobicContact CE3-CB 3.93Å; W174-F185 AromaticContact CE3-CD1 3.78Å; W174-F185 HydrophobicContact CE3-CD1 3.78Å; W174-F185 AromaticContact CE3-CD2 3.73Å; W174-F185 HydrophobicContact CE3-CD2 3.73Å; W174-F185 HydrophobicContact CE3-CE1 4.17Å; W174-F185 HydrophobicContact CE3-CE2 4.1Å; W174-F185 AromaticContact CE3-CG 3.54Å; W174-F185 HydrophobicContact CE3-CG 3.54Å; W174-F185 HydrophobicContact CE3-CZ 4.31Å; W174-F185 HydrophobicContact CZ3-CB 3.6Å; W174-F185 HydrophobicContact CZ3-CD1 4.19Å; W174-F185 HydrophobicContact CZ3-CD2 4.24Å; W174-F185 AromaticContact CZ3-CG 3.77Å; W174-F185 HydrophobicContact CZ3-CG 3.77Å; F176-F185 HydrophobicContact CD2-CD2 4.01Å; F176-F185 AromaticContact CE2-CD2 3.67Å; F176-F185 HydrophobicContact CE2-CD2 3.67Å; F176-F185 HydrophobicContact CE2-CE2 4.16Å; D181-F185 PolarHBondContact O-N 3.44Å; D182-F185 WeakPolarHBondContact O-CB 3.43Å; D182-F185 PolarHBondContact O-N 3.31Å; Q183-F185 VanDerWaalsContact C-N 3.32Å; Q183-F185 PolarHBondContact O-N 3.22Å; F185-T187 VanDerWaalsContact C-N 3.34Å; F185-T187 PolarHBondContact O-N 3.31Å; F185-R188 PolarHBondContact O-N 2.03Å; F185-I189 HydrophobicContact CD1-CD1 4.49Å; F185-I189 HydrophobicContact CD2-CD1 4.07Å; F185-I189 HydrophobicContact CE1-CD1 3.92Å; F185-I189 HydrophobicContact CE2-CD1 3.45Å; F185-I189 VanDerWaalsContact CE2-CD1 3.45Å; F185-I189 HydrophobicContact CE2-CG1 4.41Å; F185-I189 HydrophobicContact CZ-CD1 3.36Å; F185-I189 PolarHBondContact O-N 3.23Å
186	Y	98.6	Very high	97.2	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.016	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-38.1	178.5	-67.7	-67	0	0	0	112.2	V81 F129 F160 I170 V171 D182 Q183 R188 I189 Y190	V81-Y186 HydrophobicContact CG2-CE2 3.87Å; F129-Y186 AromaticContact CE1-CD1 3.65Å; F129-Y186 HydrophobicContact CE1-CD1 3.65Å; F129-Y186 HydrophobicContact CE1-CE1 4.24Å; F129-Y186 AromaticContact CE1-CG 3.85Å; F129-Y186 HydrophobicContact CE1-CG 3.85Å; F129-Y186 AromaticContact CZ-CD1 3.73Å; F129-Y186 HydrophobicContact CZ-CD1 3.73Å; F129-Y186 HydrophobicContact CZ-CE1 4.35Å; F129-Y186 HydrophobicContact CZ-CG 4.3Å; F160-Y186 HydrophobicContact CE1-CE2 4.15Å; F160-Y186 AromaticContact CE1-CZ 3.99Å; F160-Y186 HydrophobicContact CZ-CE1 4.34Å; F160-Y186 HydrophobicContact CZ-CE2 4.5Å; F160-Y186 AromaticContact CZ-CZ 3.91Å; I170-Y186 HydrophobicContact CG2-CD1 4.1Å; I170-Y186 HydrophobicContact CG2-CE1 3.98Å; V171-Y186 HydrophobicContact CG1-CE1 4.31Å; D182-Y186 WeakPolarHBondContact O-CD2 3.46Å; D182-Y186 PolarHBondContact O-N 2.97Å; D182-Y186 VanDerWaalsContact O-N 3.14Å; Q183-Y186 PolarHBondContact O-N 2.75Å; Y186-R188 PolarHBondContact O-N 3.26Å; Y186-I189 PolarHBondContact O-N 3.45Å; Y186-Y190 WeakPolarHBondContact O-CB 3.34Å; Y186-Y190 PolarHBondContact O-N 3.15Å
187	T	98.4	Very high	97.2	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.018	27%	0.268	C	S	.	.	H	α-helix	trans	-57.5	-47.8	174.6	-70.4	0	0	0	0	111.6	L141 Y145 Q183 F185 I189 Y190 L191	L141-T187 HydrophobicContact CD1-CG2 3.78Å; Y145-T187 HydrophobicContact CE2-CG2 4.14Å; Y145-T187 VanDerWaalsContact OH-CG2 3.28Å; Y145-T187 WeakPolarHBondContact OH-CG2 3.29Å; Y145-T187 PolarHBondContact OH-OG1 3.41Å; Q183-T187 WeakPolarHBondContact O-CB 3.47Å; Q183-T187 PolarHBondContact O-N 2.96Å; Q183-T187 PolarHBondContact O-OG1 2.88Å; F185-T187 VanDerWaalsContact C-N 3.34Å; F185-T187 PolarHBondContact O-N 3.31Å; T187-I189 VanDerWaalsContact C-N 3.31Å; T187-I189 PolarHBondContact O-N 2.91Å; T187-Y190 PolarHBondContact O-N 3.1Å; T187-L191 HydrophobicContact CG2-CD1 3.69Å; T187-L191 HydrophobicContact CG2-CG 4.24Å; T187-L191 WeakPolarHBondContact O-CB 3.22Å; T187-L191 VanDerWaalsContact O-CG 3.24Å; T187-L191 WeakPolarHBondContact O-CG 3.15Å; T187-L191 PolarHBondContact O-N 3.42Å
188	R	98.1	Very high	97.3	Very high	133 Å²	133	56.8 Å²	56.8	50%	0.502	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-39.2	179.2	-75.3	171.8	178	173.7	1.1	111.8	L184 F185 Y186 D192	L184-R188 HydrophobicContact CD1-CG 4.41Å; L184-R188 WeakPolarHBondContact O-CB 3.49Å; L184-R188 VanDerWaalsContact O-CG 3.26Å; L184-R188 WeakPolarHBondContact O-CG 3.2Å; L184-R188 PolarHBondContact O-N 3.01Å; F185-R188 PolarHBondContact O-N 2.03Å; Y186-R188 PolarHBondContact O-N 3.26Å; R188-D192 PolarHBondContact O-N 3.37Å
189	I	98.1	Very high	97.4	Very high	12 Å²	12	55.5 Å²	55.5	6%	0.062	26%	0.258	C	S	.	.	H	α-helix	trans	-66	-44.2	175.8	-70.1	178.2	0	0	0	111.2	I170 Q173 F185 Y186 T187 L191 D192 Q195 M201	I170-I189 HydrophobicContact CG2-CD1 3.89Å; I170-I189 HydrophobicContact CG2-CG2 4.31Å; Q173-I189 HydrophobicContact CB-CD1 4.43Å; F185-I189 HydrophobicContact CD1-CD1 4.49Å; F185-I189 HydrophobicContact CD2-CD1 4.07Å; F185-I189 HydrophobicContact CE1-CD1 3.92Å; F185-I189 HydrophobicContact CE2-CD1 3.45Å; F185-I189 VanDerWaalsContact CE2-CD1 3.45Å; F185-I189 HydrophobicContact CE2-CG1 4.41Å; F185-I189 HydrophobicContact CZ-CD1 3.36Å; F185-I189 PolarHBondContact O-N 3.23Å; Y186-I189 PolarHBondContact O-N 3.45Å; T187-I189 VanDerWaalsContact C-N 3.31Å; T187-I189 PolarHBondContact O-N 2.91Å; I189-L191 VanDerWaalsContact C-N 3.35Å; I189-L191 PolarHBondContact O-N 3.26Å; I189-D192 PolarHBondContact O-N 2.89Å; I189-Q195 HydrophobicContact CG2-CB 4.35Å; I189-Q195 WeakPolarHBondContact O-CB 3.42Å; I189-M201 HydrophobicContact CG2-CE 3.79Å; I189-M201 HydrophobicContact CG2-SD 4.19Å
190	Y	98.5	Very high	97.6	Very high	7 Å²	7	54.2 Å²	54.2	3%	0.027	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-33.2	179.1	179.9	-101.9	0	0	0	113.5	Y145 L155 Y186 T187 R196 M201 L203	Y145-Y190 HydrophobicContact CD1-CD1 4.15Å; Y145-Y190 AromaticContact CD1-CE1 3.85Å; Y145-Y190 HydrophobicContact CD1-CE1 3.85Å; Y145-Y190 AromaticContact CE1-CD1 3.74Å; Y145-Y190 HydrophobicContact CE1-CD1 3.74Å; Y145-Y190 AromaticContact CE1-CE1 3.84Å; Y145-Y190 HydrophobicContact CE1-CE1 3.84Å; L155-Y190 HydrophobicContact CD1-CG 4.11Å; Y186-Y190 WeakPolarHBondContact O-CB 3.34Å; Y186-Y190 PolarHBondContact O-N 3.15Å; T187-Y190 PolarHBondContact O-N 3.1Å; Y190-R196 HydrophobicContact CD2-CG 4.29Å; Y190-R196 VanDerWaalsContact CE2-CD 3.46Å; Y190-R196 HydrophobicContact CE2-CG 4.06Å; Y190-R196 WeakPolarHBondContact O-CD 3.25Å; Y190-R196 PolarHBondContact O-NH1 3.33Å; Y190-M201 HydrophobicContact CD2-CB 4.02Å; Y190-M201 HydrophobicContact CE2-CB 4.24Å; Y190-L203 HydrophobicContact CD1-CD2 4.27Å; Y190-L203 HydrophobicContact CD2-CD2 4.02Å; Y190-L203 HydrophobicContact CE1-CD1 3.92Å; Y190-L203 HydrophobicContact CE1-CD2 4.01Å; Y190-L203 HydrophobicContact CE1-CG 3.97Å; Y190-L203 HydrophobicContact CE2-CD2 3.77Å; Y190-L203 HydrophobicContact CE2-CG 4.06Å; Y190-L203 HydrophobicContact CG-CD2 4.27Å
191	L	98.2	Very high	97.7	Very high	28 Å²	28	51.6 Å²	51.6	15%	0.147	24%	0.237	C	C	.	.	H	α-helix	trans	-78.5	-20	179.1	-70.4	179.5	0	0	0	113.6	L141 K144 Y145 T187 I189 Q193	L141-L191 HydrophobicContact CB-CD1 3.78Å; L141-L191 HydrophobicContact CD1-CD1 4.16Å; L141-L191 HydrophobicContact CD2-CD1 4.32Å; L141-L191 HydrophobicContact CG-CD1 4.32Å; K144-L191 HydrophobicContact CB-CD1 4.16Å; K144-L191 HydrophobicContact CB-CD2 3.99Å; Y145-L191 HydrophobicContact CD1-CD2 4.04Å; Y145-L191 HydrophobicContact CD2-CD1 4.25Å; Y145-L191 HydrophobicContact CD2-CD2 3.67Å; Y145-L191 HydrophobicContact CD2-CG 4.42Å; Y145-L191 HydrophobicContact CE1-CD2 4.23Å; Y145-L191 HydrophobicContact CE2-CD1 3.91Å; Y145-L191 HydrophobicContact CE2-CD2 3.9Å; Y145-L191 HydrophobicContact CE2-CG 4.19Å; Y145-L191 HydrophobicContact CG-CD2 3.75Å; T187-L191 HydrophobicContact CG2-CD1 3.69Å; T187-L191 HydrophobicContact CG2-CG 4.24Å; T187-L191 WeakPolarHBondContact O-CB 3.22Å; T187-L191 VanDerWaalsContact O-CG 3.24Å; T187-L191 WeakPolarHBondContact O-CG 3.15Å; T187-L191 PolarHBondContact O-N 3.42Å; I189-L191 VanDerWaalsContact C-N 3.35Å; I189-L191 PolarHBondContact O-N 3.26Å; L191-Q193 PolarHBondContact O-N 2.92Å
192	D	98.1	Very high	97.8	Very high	71 Å²	71	51.8 Å²	51.8	38%	0.38	24%	0.238	S	C	.	.			trans	-70.7	111.3	168.4	-175.8	-40	0	0	0	109.5	R188 I189 K194 Q195 R196	R188-D192 PolarHBondContact O-N 3.37Å; I189-D192 PolarHBondContact O-N 2.89Å; D192-K194 VanDerWaalsContact C-N 3.27Å; D192-K194 PolarHBondContact O-N 2.81Å; D192-K194 WeakPolarHBondContact OD1-CA 3.49Å; D192-K194 WeakPolarHBondContact OD1-CB 3.39Å; D192-K194 PolarHBondContact OD1-N 3.34Å; D192-Q195 HydrophobicContact CB-CB 3.99Å; D192-Q195 HydrophobicContact CB-CG 3.82Å; D192-Q195 PolarHBondContact O-N 3.36Å; D192-Q195 PolarHBondContact OD1-N 3.49Å; D192-Q195 VanDerWaalsContact OD1-N 3.15Å; D192-R196 WeakPolarHBondContact O-CB 3.27Å; D192-R196 PolarHBondContact O-N 3.3Å
193	Q	96.9	Very high	97.9	Very high	138 Å²	138	51.3 Å²	51.3	65%	0.645	24%	0.236	S	C	*	.	H	α-helix	trans	-59	-36.7	-178.2	-175	176.8	3.5	0	0	112.9	L191 T197	L191-Q193 PolarHBondContact O-N 2.92Å; Q193-T197 WeakPolarHBondContact O-CB 3.24Å; Q193-T197 PolarHBondContact O-N 3.08Å; Q193-T197 PolarHBondContact O-OG1 3.25Å; Q193-T197 VanDerWaalsContact O-OG1 3.13Å
194	K	97.5	Very high	98	Very high	176 Å²	176	51 Å²	51	77%	0.765	23%	0.234	S	C	*	.	H	α-helix	trans	-67.4	-43.7	179.4	-65.3	-178.6	179.1	178.5	0	110.2	D192 R198	D192-K194 VanDerWaalsContact C-N 3.27Å; D192-K194 PolarHBondContact O-N 2.81Å; D192-K194 WeakPolarHBondContact OD1-CA 3.49Å; D192-K194 WeakPolarHBondContact OD1-CB 3.39Å; D192-K194 PolarHBondContact OD1-N 3.34Å; K194-R198 WeakPolarHBondContact O-CB 3.46Å; K194-R198 PolarHBondContact O-N 3.35Å
195	Q	97.8	Very high	98	Very high	33 Å²	33	51.4 Å²	51.4	15%	0.154	24%	0.236	C	C	.	.	H	α-helix	trans	-66	-45.8	177	-62.2	-79.3	29.5	0	0	111.1	I189 D192 T197 R198 F199 M201	I189-Q195 HydrophobicContact CG2-CB 4.35Å; I189-Q195 WeakPolarHBondContact O-CB 3.42Å; D192-Q195 HydrophobicContact CB-CB 3.99Å; D192-Q195 HydrophobicContact CB-CG 3.82Å; D192-Q195 PolarHBondContact O-N 3.36Å; D192-Q195 PolarHBondContact OD1-N 3.49Å; D192-Q195 VanDerWaalsContact OD1-N 3.15Å; Q195-T197 VanDerWaalsContact C-N 3.34Å; Q195-T197 PolarHBondContact O-N 3.24Å; Q195-R198 PolarHBondContact O-N 2.95Å; Q195-R198 VanDerWaalsContact O-N 3.16Å; Q195-F199 HydrophobicContact CB-CD2 4.47Å; Q195-F199 WeakPolarHBondContact O-CD2 3.45Å; Q195-F199 PolarHBondContact O-N 2.95Å; Q195-M201 HydrophobicContact CB-CE 4.18Å
196	R	97.5	Very high	98	Very high	52 Å²	52	56.1 Å²	56.1	20%	0.196	25%	0.253	C	S	.	.	H	α-helix	trans	-57.4	-44	177.9	-173.6	170	65.4	-140.6	3.5	112.9	P146 Y190 D192 N200 M201	P146-R196 VanDerWaalsContact CG-NH1 3.34Å; Y190-R196 HydrophobicContact CD2-CG 4.29Å; Y190-R196 VanDerWaalsContact CE2-CD 3.46Å; Y190-R196 HydrophobicContact CE2-CG 4.06Å; Y190-R196 WeakPolarHBondContact O-CD 3.25Å; Y190-R196 PolarHBondContact O-NH1 3.33Å; D192-R196 WeakPolarHBondContact O-CB 3.27Å; D192-R196 PolarHBondContact O-N 3.3Å; R196-N200 WeakPolarHBondContact O-CA 3.31Å; R196-N200 PolarHBondContact O-N 3.26Å; R196-M201 HydrophobicContact CB-CE 4.06Å; R196-M201 HydrophobicContact CG-CB 4.25Å; R196-M201 PolarHBondContact O-N 3.35Å
197	T	97.4	Very high	97.9	Very high	104 Å²	104	56 Å²	56	64%	0.638	25%	0.253	S	S	*	.	H	α-helix	trans	-70.2	-42.8	174.9	-60.4	0	0	0	0	111.6	Q193 Q195 F199 N200	Q193-T197 WeakPolarHBondContact O-CB 3.24Å; Q193-T197 PolarHBondContact O-N 3.08Å; Q193-T197 PolarHBondContact O-OG1 3.25Å; Q193-T197 VanDerWaalsContact O-OG1 3.13Å; Q195-T197 VanDerWaalsContact C-N 3.34Å; Q195-T197 PolarHBondContact O-N 3.24Å; T197-F199 PolarHBondContact O-N 2.84Å; T197-N200 PolarHBondContact O-N 3.02Å
198	R	97.3	Very high	97.9	Very high	171 Å²	171	60.5 Å²	60.5	65%	0.645	27%	0.269	S	S	*	.	H	α-helix	trans	-57.4	-47.9	-179.7	176.2	-176.9	175.7	-178.7	-0.6	112.6	K194 Q195	K194-R198 WeakPolarHBondContact O-CB 3.46Å; K194-R198 PolarHBondContact O-N 3.35Å; Q195-R198 PolarHBondContact O-N 2.95Å; Q195-R198 VanDerWaalsContact O-N 3.16Å
199	F	96.9	Very high	97.9	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.022	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	6.2	-177.6	-60.5	-60.8	0	0	0	113.3	R126 D166 A169 I170 Q195 T197 M201	R126-F199 WeakPolarHBondContact CB-O 3.26Å; D166-F199 HydrophobicContact CB-CD1 4.21Å; A169-F199 HydrophobicContact CB-CE1 3.6Å; A169-F199 HydrophobicContact CB-CZ 3.89Å; I170-F199 HydrophobicContact CD1-CB 4.26Å; I170-F199 HydrophobicContact CD1-CD2 4.1Å; I170-F199 HydrophobicContact CD1-CG 4.11Å; I170-F199 HydrophobicContact CG1-CD1 4.4Å; I170-F199 HydrophobicContact CG1-CD2 3.71Å; I170-F199 HydrophobicContact CG1-CE1 4.46Å; I170-F199 HydrophobicContact CG1-CE2 3.76Å; I170-F199 HydrophobicContact CG1-CG 4.04Å; I170-F199 HydrophobicContact CG1-CZ 4.15Å; Q195-F199 HydrophobicContact CB-CD2 4.47Å; Q195-F199 WeakPolarHBondContact O-CD2 3.45Å; Q195-F199 PolarHBondContact O-N 2.95Å; T197-F199 PolarHBondContact O-N 2.84Å; F199-M201 VanDerWaalsContact C-N 3.29Å; F199-M201 HydrophobicContact CB-CG 3.68Å; F199-M201 HydrophobicContact CB-SD 4.27Å; F199-M201 HydrophobicContact CD2-CE 4.28Å; F199-M201 PolarHBondContact O-N 3.16Å
200	N	98	Very high	98	Very high	60 Å²	60	53.7 Å²	53.7	32%	0.321	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	54.6	-175.1	-173.3	17.4	0	0	0	112.3	G124 H125 R126 R196 T197	G124-N200 PolarHBondContact O-ND2 2.97Å; H125-N200 PolarHBondContact ND1-OD1 2.87Å; R126-N200 HydrophobicContact CB-CB 4.13Å; R126-N200 HydrophobicContact CG-CB 3.98Å; R126-N200 PolarHBondContact N-O 3.2Å; R126-N200 VanDerWaalsContact N-O 3.16Å; R196-N200 WeakPolarHBondContact O-CA 3.31Å; R196-N200 PolarHBondContact O-N 3.26Å; T197-N200 PolarHBondContact O-N 3.02Å
201	M	98.4	Very high	98	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	144.3	-176.8	-53.4	-174.2	-84.1	0	0	111.5	V127 F129 I170 I189 Y190 Q195 R196 F199	V127-M201 HydrophobicContact CB-CG 4.06Å; V127-M201 HydrophobicContact CG1-CG 4.38Å; V127-M201 CarbonylContact O-C 3.59Å; V127-M201 VanDerWaalsContact O-CA 3.32Å; V127-M201 WeakPolarHBondContact O-CA 3.45Å; F129-M201 HydrophobicContact CE2-SD 4.03Å; I170-M201 HydrophobicContact CD1-SD 3.81Å; I189-M201 HydrophobicContact CG2-CE 3.79Å; I189-M201 HydrophobicContact CG2-SD 4.19Å; Y190-M201 HydrophobicContact CD2-CB 4.02Å; Y190-M201 HydrophobicContact CE2-CB 4.24Å; Q195-M201 HydrophobicContact CB-CE 4.18Å; R196-M201 HydrophobicContact CB-CE 4.06Å; R196-M201 HydrophobicContact CG-CB 4.25Å; R196-M201 PolarHBondContact O-N 3.35Å; F199-M201 VanDerWaalsContact C-N 3.29Å; F199-M201 HydrophobicContact CB-CG 3.68Å; F199-M201 HydrophobicContact CB-SD 4.27Å; F199-M201 HydrophobicContact CD2-CE 4.28Å; F199-M201 PolarHBondContact O-N 3.16Å
202	T	98.3	Very high	98	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.104	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	174	169.8	-161.4	0	0	0	0	111	H125 V127 V128 F129	H125-T202 HydrophobicContact CB-CG2 3.62Å; H125-T202 VanDerWaalsContact CD2-CB 3.46Å; H125-T202 WeakPolarHBondContact CD2-CB 3.42Å; H125-T202 WeakPolarHBondContact CD2-CG2 3.42Å; V127-T202 PolarHBondContact O-N 3.39Å; V128-T202 HydrophobicContact CB-CG2 4.24Å; V128-T202 HydrophobicContact CG1-CG2 4.22Å; V128-T202 HydrophobicContact CG2-CG2 3.69Å; F129-T202 PolarHBondContact N-O 2.98Å
203	L	98.7	Very high	98	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	148	167.7	-41.9	178.4	0	0	0	110.2	F129 A131 Y145 R153 L155 Y190 H205	F129-L203 HydrophobicContact CB-CD2 3.78Å; F129-L203 CarbonylContact O-C 3.53Å; F129-L203 WeakPolarHBondContact O-CA 3.49Å; A131-L203 HydrophobicContact CB-CB 4Å; Y145-L203 HydrophobicContact CD1-CD1 4.4Å; Y145-L203 HydrophobicContact CE1-CD1 4.16Å; R153-L203 VanDerWaalsContact O-CD1 3.28Å; R153-L203 WeakPolarHBondContact O-CD1 3.46Å; L155-L203 HydrophobicContact CB-CD1 4.35Å; L155-L203 HydrophobicContact CB-CD2 3.88Å; L155-L203 HydrophobicContact CD1-CD2 3.98Å; L155-L203 HydrophobicContact CG-CD2 4.08Å; Y190-L203 HydrophobicContact CD1-CD2 4.27Å; Y190-L203 HydrophobicContact CD2-CD2 4.02Å; Y190-L203 HydrophobicContact CE1-CD1 3.92Å; Y190-L203 HydrophobicContact CE1-CD2 4.01Å; Y190-L203 HydrophobicContact CE1-CG 3.97Å; Y190-L203 HydrophobicContact CE2-CD2 3.77Å; Y190-L203 HydrophobicContact CE2-CG 4.06Å; Y190-L203 HydrophobicContact CG-CD2 4.27Å; L203-H205 PolarHBondContact O-CD2 3.3Å; L203-H205 PolarHBondContact O-N 3.49Å
204	D	98.6	Very high	98	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	69.5	173.9	-177.8	23.8	0	0	0	111.6	V128 F129 A131 R206 S207 R208 I209 F210	V128-D204 HydrophobicContact CG1-CB 3.95Å; F129-D204 PolarHBondContact O-N 3.29Å; A131-D204 WeakPolarHBondContact CB-O 3.49Å; D204-R206 PolarHBondContact O-N 3.31Å; D204-S207 PolarHBondContact O-N 3.21Å; D204-R208 VanDerWaalsContact CG-N 3.3Å; D204-R208 WeakPolarHBondContact OD1-CB 3.3Å; D204-R208 PolarHBondContact OD1-N 2.91Å; D204-R208 PolarHBondContact OD2-N 2.97Å; D204-I209 WeakPolarHBondContact OD2-CA 3.28Å; D204-I209 PolarHBondContact OD2-N 3.12Å; D204-F210 HydrophobicContact CB-CD2 4.18Å; D204-F210 PolarHBondContact OD2-N 2.98Å
205	H	98.3	Very high	97.9	Very high	40 Å²	40	37.8 Å²	37.8	19%	0.185	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-24.7	-170.2	-62.8	-61.7	0	0	0	114.8	V148 G151 K152 L203	V148-H205 HydrophobicContact CG1-CB 4.28Å; G151-H205 CarbonylContact C-O 3.6Å; G151-H205 WeakPolarHBondContact CA-O 3.47Å; K152-H205 PolarHBondContact N-O 2.92Å; K152-H205 PolarHBondContact O-ND1 3.39Å; L203-H205 PolarHBondContact O-CD2 3.3Å; L203-H205 PolarHBondContact O-N 3.49Å
206	R	97.8	Very high	97.8	Very high	111 Å²	111	36.2 Å²	36.2	42%	0.419	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	21.7	-174.4	-66.7	-171.1	-176.7	-174.8	3	112.8	D204 R208 Y236 T238	D204-R206 PolarHBondContact O-N 3.31Å; R206-R208 HydrophobicContact CB-CG 4.5Å; R206-R208 PolarHBondContact O-N 3.21Å; R206-Y236 HydrophobicContact CB-CD1 4.49Å; R206-Y236 HydrophobicContact CB-CD2 4.24Å; R206-Y236 HydrophobicContact CB-CG 3.97Å; R206-Y236 HydrophobicContact CG-CD1 4.21Å; R206-Y236 HydrophobicContact CG-CG 4.2Å; R206-T238 VanDerWaalsContact O-CG2 3.3Å; R206-T238 WeakPolarHBondContact O-CG2 3.43Å; R206-T238 PolarHBondContact O-OG1 3.41Å
207	S	98.2	Very high	97.7	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.014	18%	0.182	C	C	.	.			trans	51	42.5	179.6	-49.9	0	0	0	0	113	D204 I209 F210 Q211 T238 P240	D204-S207 PolarHBondContact O-N 3.21Å; S207-I209 VanDerWaalsContact C-N 3.33Å; S207-F210 WeakPolarHBondContact CA-O 3.32Å; S207-F210 VanDerWaalsContact CB-O 3.29Å; S207-F210 WeakPolarHBondContact CB-O 3.38Å; S207-Q211 PolarHBondContact OG-OE1 3.21Å; S207-T238 PolarHBondContact O-OG1 3.21Å; S207-T238 VanDerWaalsContact O-OG1 3.06Å; S207-P240 WeakPolarHBondContact O-CG 3.26Å
208	R	97.9	Very high	97.6	Very high	97 Å²	97	39 Å²	39	37%	0.366	19%	0.186	S	C	.	.	S	Bend	trans	-74.3	-27.3	178.6	-69.1	-178.5	178.7	177.2	1.1	111.6	R119 D204 R206 T238	R119-R208 WeakPolarHBondContact CD-O 3.32Å; R119-R208 PolarHBondContact NH1-O 2.82Å; D204-R208 VanDerWaalsContact CG-N 3.3Å; D204-R208 WeakPolarHBondContact OD1-CB 3.3Å; D204-R208 PolarHBondContact OD1-N 2.91Å; D204-R208 PolarHBondContact OD2-N 2.97Å; R206-R208 HydrophobicContact CB-CG 4.5Å; R206-R208 PolarHBondContact O-N 3.21Å; R208-T238 HydrophobicContact CG-CG2 3.99Å
209	I	98.7	Very high	97.6	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.161	C	C	.	.	S	Bend	trans	-118.1	-50.6	177.6	-61.9	174.9	0	0	0	108.7	L116 R119 F120 L123 I161 D204 S207 V241 V242	L116-I209 HydrophobicContact CD1-CG2 3.39Å; R119-I209 HydrophobicContact CB-CD1 4.22Å; R119-I209 HydrophobicContact CB-CG1 3.82Å; F120-I209 HydrophobicContact CB-CD1 4.06Å; L123-I209 HydrophobicContact CD1-CD1 3.92Å; I161-I209 HydrophobicContact CG2-CD1 4.26Å; D204-I209 WeakPolarHBondContact OD2-CA 3.28Å; D204-I209 PolarHBondContact OD2-N 3.12Å; S207-I209 VanDerWaalsContact C-N 3.33Å; I209-V241 HydrophobicContact CG2-CB 4.45Å; I209-V241 WeakPolarHBondContact O-CA 3.34Å; I209-V241 PolarHBondContact O-N 3.41Å; I209-V242 PolarHBondContact O-N 2.74Å
210	F	98.8	Very high	97.6	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	127.9	-171.2	-54.1	-82.5	0	0	0	111.3	M100 V102 V128 I161 D204 S207 V242	M100-F210 HydrophobicContact CG-CE1 4.37Å; M100-F210 HydrophobicContact CG-CZ 4.41Å; M100-F210 HydrophobicContact SD-CE1 4.13Å; M100-F210 HydrophobicContact SD-CZ 4.38Å; V102-F210 HydrophobicContact CG1-CE1 4.22Å; V128-F210 HydrophobicContact CG1-CE2 4.5Å; I161-F210 HydrophobicContact CB-CZ 4.18Å; I161-F210 HydrophobicContact CG2-CE2 3.96Å; I161-F210 HydrophobicContact CG2-CZ 3.94Å; D204-F210 HydrophobicContact CB-CD2 4.18Å; D204-F210 PolarHBondContact OD2-N 2.98Å; S207-F210 WeakPolarHBondContact CA-O 3.32Å; S207-F210 VanDerWaalsContact CB-O 3.29Å; S207-F210 WeakPolarHBondContact CB-O 3.38Å; F210-V242 HydrophobicContact CD1-CB 3.72Å; F210-V242 HydrophobicContact CD1-CG1 4.05Å; F210-V242 HydrophobicContact CD1-CG2 3.86Å; F210-V242 HydrophobicContact CE1-CB 4.26Å; F210-V242 HydrophobicContact CE1-CG2 3.89Å
211	Q	98.8	Very high	97.6	Very high	2 Å²	2	32.5 Å²	32.5	1%	0.009	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	103.5	170.5	178	65.5	59	0	0	109.6	S207 L213 V220 N233 P240 V242 I243 H244	S207-Q211 PolarHBondContact OG-OE1 3.21Å; Q211-L213 HydrophobicContact CG-CD2 4.12Å; Q211-V220 HydrophobicContact CG-CG2 3.76Å; Q211-N233 PolarHBondContact OE1-ND2 3.27Å; Q211-P240 HydrophobicContact CB-CB 3.62Å; Q211-P240 HydrophobicContact CB-CG 3.54Å; Q211-P240 HydrophobicContact CG-CG 4.21Å; Q211-V242 PolarHBondContact N-O 2.96Å; Q211-I243 HydrophobicContact CB-CD1 3.85Å; Q211-I243 HydrophobicContact CG-CD1 4.42Å; Q211-H244 PolarHBondContact O-N 3.22Å
212	N	98.6	Very high	97.5	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	129.5	166	-65	-54.9	0	0	0	108.5	S130 A131 E132 H244 N246	S130-N212 WeakPolarHBondContact CB-ND2 3.33Å; S130-N212 PolarHBondContact OG-ND2 3.34Å; S130-N212 VanDerWaalsContact OG-ND2 3.11Å; A131-N212 PolarHBondContact O-ND2 3.38Å; E132-N212 HydrophobicContact CB-CB 4.35Å; N212-H244 PolarHBondContact OD1-ND1 3.11Å; N212-N246 WeakPolarHBondContact CB-OD1 3.49Å
213	L	98.1	Very high	97.5	Very high	3 Å²	3	35.9 Å²	35.9	2%	0.016	18%	0.181	C	C	.	.			trans	-82.5	-28.7	-175.3	-65.4	-176.2	0	0	0	112.9	Q211 G215 A216 I217 V220 I243 H244 N246 T249 Q252 L253 L256	Q211-L213 HydrophobicContact CG-CD2 4.12Å; L213-G215 PolarHBondContact O-N 3.4Å; L213-G215 VanDerWaalsContact O-N 3.15Å; L213-A216 CarbonylContact O-C 3.57Å; L213-A216 PolarHBondContact O-N 3.12Å; L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 3.09Å; L213-V220 HydrophobicContact CD2-CB 4.47Å; L213-V220 HydrophobicContact CD2-CG1 4.3Å; L213-V220 HydrophobicContact CD2-CG2 4.03Å; L213-I243 HydrophobicContact CD1-CG2 4.31Å; L213-I243 HydrophobicContact CD2-CG2 3.97Å; L213-I243 HydrophobicContact CG-CG2 4.17Å; L213-H244 PolarHBondContact N-O 3.03Å; L213-N246 PolarHBondContact N-OD1 3.49Å; L213-N246 VanDerWaalsContact N-OD1 3.12Å; L213-T249 HydrophobicContact CB-CG2 4.12Å; L213-T249 WeakPolarHBondContact CB-OG1 3.46Å; L213-Q252 HydrophobicContact CD1-CB 4.24Å; L213-L253 HydrophobicContact CD1-CB 4.07Å; L213-L253 HydrophobicContact CD1-CD1 4.22Å; L213-L256 HydrophobicContact CD1-CD1 3.99Å; L213-L256 HydrophobicContact CD2-CD1 4.12Å
214	N	96.8	Very high	97.4	Very high	41 Å²	41	38.3 Å²	38.3	22%	0.219	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	118.7	-177.9	-166.1	17.9	0	0	0	111.6	A216 N246 T249	N214-A216 VanDerWaalsContact C-N 3.31Å; N214-N246 WeakPolarHBondContact CB-ND2 3.41Å; N214-N246 WeakPolarHBondContact CB-OD1 3.41Å; N214-N246 PolarHBondContact N-OD1 3.23Å; N214-T249 HydrophobicContact CB-CG2 4.15Å
215	G	94.9	Very high	97.1	Very high	35 Å²	35	41.3 Å²	41.3	36%	0.361	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.1	21.2	-175.3	0	0	0	0	0	114.6	K152 L213	K152-G215 PolarHBondContact NZ-O 3.41Å; L213-G215 PolarHBondContact O-N 3.4Å; L213-G215 VanDerWaalsContact O-N 3.15Å
216	A	96.8	Very high	96.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	23%	0.234	C	C	.	.			trans	-148.5	20.2	176.9	0	0	0	0	0	113.3	L213 N214 D218 E219	L213-A216 CarbonylContact O-C 3.57Å; L213-A216 PolarHBondContact O-N 3.12Å; N214-A216 VanDerWaalsContact C-N 3.31Å; A216-D218 VanDerWaalsContact C-N 3.29Å; A216-D218 PolarHBondContact O-N 3.08Å; A216-E219 HydrophobicContact CB-CB 4.44Å; A216-E219 HydrophobicContact CB-CG 4.32Å; A216-E219 WeakPolarHBondContact O-CB 3.39Å; A216-E219 PolarHBondContact O-N 3.16Å; A216-E219 VanDerWaalsContact O-N 3.15Å
217	I	94.7	Very high	96.2	Very high	77 Å²	77	46.8 Å²	46.8	40%	0.395	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-61.5	-41.3	179.9	-62.6	170.4	0	0	0	110.4	L213 E219 V220 T249 Q252	L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 3.09Å; I217-E219 PolarHBondContact O-N 2.94Å; I217-V220 PolarHBondContact O-N 2.82Å; I217-T249 HydrophobicContact CD1-CG2 3.84Å; I217-T249 HydrophobicContact CG1-CG2 4.17Å; I217-Q252 HydrophobicContact CD1-CG 3.93Å; I217-Q252 HydrophobicContact CG1-CG 4.29Å; I217-Q252 HydrophobicContact CG2-CG 4.01Å
218	D	94.7	Very high	96	Very high	136 Å²	136	50 Å²	50	73%	0.727	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-68.2	-14.6	177.8	60.4	-40	0	0	0	113.8	A216	A216-D218 VanDerWaalsContact C-N 3.29Å; A216-D218 PolarHBondContact O-N 3.08Å
219	E	96.8	Very high	96	Very high	25 Å²	25	45.4 Å²	45.4	12%	0.117	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-88.7	-8.2	175.8	-55.4	-179.1	177.2	0	0	112.6	K152 A216 I217 N233 V234 A235	K152-E219 WeakPolarHBondContact CE-OE1 3.26Å; K152-E219 VanDerWaalsContact CE-OE2 3.26Å; K152-E219 WeakPolarHBondContact CE-OE2 3.32Å; K152-E219 VanDerWaalsContact NZ-CD 3.26Å; K152-E219 IonicContact NZ-OE1 3.69Å; K152-E219 PolarHBondContact NZ-OE1 3.39Å; K152-E219 IonicContact NZ-OE2 2.92Å; K152-E219 PolarHBondContact NZ-OE2 3.06Å; A216-E219 HydrophobicContact CB-CB 4.44Å; A216-E219 HydrophobicContact CB-CG 4.32Å; A216-E219 WeakPolarHBondContact O-CB 3.39Å; A216-E219 PolarHBondContact O-N 3.16Å; A216-E219 VanDerWaalsContact O-N 3.15Å; I217-E219 PolarHBondContact O-N 2.94Å; E219-N233 CarbonylContact O-C 3.57Å; E219-N233 WeakPolarHBondContact O-CA 3.39Å; E219-N233 PolarHBondContact OE2-ND2 3.45Å; E219-N233 VanDerWaalsContact OE2-ND2 3.12Å; E219-V234 WeakPolarHBondContact O-CG2 3.45Å; E219-V234 PolarHBondContact O-N 3.39Å; E219-A235 HydrophobicContact CB-CB 4.2Å; E219-A235 HydrophobicContact CG-CB 3.93Å
220	V	97.4	Very high	95.9	Very high	19 Å²	19	45.8 Å²	45.8	12%	0.115	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	128.2	-167.3	163.6	0	0	0	0	111.3	Q211 L213 I217 V231 L256	Q211-V220 HydrophobicContact CG-CG2 3.76Å; L213-V220 HydrophobicContact CD2-CB 4.47Å; L213-V220 HydrophobicContact CD2-CG1 4.3Å; L213-V220 HydrophobicContact CD2-CG2 4.03Å; I217-V220 PolarHBondContact O-N 2.82Å; V220-V231 HydrophobicContact CB-CG1 4.3Å; V220-V231 HydrophobicContact CG1-CG1 3.49Å; V220-V231 VanDerWaalsContact CG1-CG1 3.49Å; V220-V231 HydrophobicContact CG1-CG2 4.35Å; V220-V231 HydrophobicContact CG2-CG1 4.07Å; V220-L256 HydrophobicContact CG1-CD1 4.01Å; V220-L256 HydrophobicContact CG1-CD2 4.33Å
221	V	97.8	Very high	95.9	Very high	56 Å²	56	45.7 Å²	45.7	34%	0.339	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	152.5	172.8	-58.3	0	0	0	0	111.3	K223 R232 V234	V221-K223 PolarHBondContact O-N 3.15Å; V221-R232 HydrophobicContact CG2-CB 4.09Å; V221-R232 PolarHBondContact N-O 3.07Å; V221-R232 PolarHBondContact O-N 3.41Å; V221-V234 HydrophobicContact CG1-CG1 4.25Å; V221-V234 HydrophobicContact CG2-CG1 3.69Å
222	L	97.9	Very high	95.8	Very high	23 Å²	23	50 Å²	50	12%	0.12	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.3	168.6	-69	172.7	0	0	0	109.9	F224 V229 Y255 L256 Y259 V260	L222-F224 HydrophobicContact CB-CD2 4.25Å; L222-F224 HydrophobicContact CB-CE2 3.71Å; L222-F224 HydrophobicContact CB-CZ 4.41Å; L222-F224 HydrophobicContact CD1-CE2 4.11Å; L222-F224 HydrophobicContact CD1-CZ 4.1Å; L222-V229 HydrophobicContact CB-CG1 4.18Å; L222-V229 HydrophobicContact CD2-CG1 3.81Å; L222-V229 HydrophobicContact CG-CG1 4.5Å; L222-Y255 HydrophobicContact CD1-CE1 4.1Å; L222-Y255 HydrophobicContact CD1-CE2 4.41Å; L222-Y255 WeakPolarHBondContact CD1-OH 3.33Å; L222-Y255 HydrophobicContact CG-CE1 4.44Å; L222-L256 HydrophobicContact CD2-CD2 3.56Å; L222-L256 HydrophobicContact CG-CD2 3.96Å; L222-Y259 HydrophobicContact CD1-CD1 4.38Å; L222-Y259 HydrophobicContact CD1-CD2 3.42Å; L222-Y259 VanDerWaalsContact CD1-CD2 3.42Å; L222-Y259 HydrophobicContact CD1-CE2 3.8Å; L222-Y259 HydrophobicContact CD1-CG 3.75Å; L222-Y259 HydrophobicContact CD2-CD2 4.39Å; L222-Y259 HydrophobicContact CD2-CG 4.42Å; L222-V260 HydrophobicContact CD2-CG2 3.81Å
223	K	97.4	Very high	95.8	Very high	74 Å²	74	49.7 Å²	49.7	32%	0.322	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	104.6	170	-179.2	-175.6	176.9	-169.4	0	108.5	V221 R230 R232 L239	V221-K223 PolarHBondContact O-N 3.15Å; K223-R230 HydrophobicContact CB-CB 4.34Å; K223-R230 PolarHBondContact N-O 2.84Å; K223-R230 PolarHBondContact O-N 3.43Å; K223-R232 HydrophobicContact CB-CB 4.23Å; K223-L239 HydrophobicContact CD-CD1 4.38Å; K223-L239 HydrophobicContact CD-CD2 3.49Å; K223-L239 VanDerWaalsContact CD-CD2 3.49Å
224	F	96.1	Very high	95.8	Very high	54 Å²	54	53.4 Å²	53.4	24%	0.237	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	128.2	174.5	-70	-95	0	0	0	110.7	L222 V229 Y259 W264 Y266	L222-F224 HydrophobicContact CB-CD2 4.25Å; L222-F224 HydrophobicContact CB-CE2 3.71Å; L222-F224 HydrophobicContact CB-CZ 4.41Å; L222-F224 HydrophobicContact CD1-CE2 4.11Å; L222-F224 HydrophobicContact CD1-CZ 4.1Å; F224-V229 HydrophobicContact CD1-CG1 4.2Å; F224-V229 HydrophobicContact CD1-CG2 3.51Å; F224-V229 HydrophobicContact CD2-CG1 4.5Å; F224-V229 HydrophobicContact CE1-CG1 4.21Å; F224-V229 HydrophobicContact CE1-CG2 3.64Å; F224-V229 HydrophobicContact CG-CG1 4.34Å; F224-V229 HydrophobicContact CG-CG2 4.31Å; F224-V229 HydrophobicContact CZ-CG1 4.36Å; F224-Y259 AromaticContact CE1-CD1 3.79Å; F224-Y259 HydrophobicContact CE1-CD1 3.79Å; F224-Y259 HydrophobicContact CE1-CE1 4.2Å; F224-Y259 AromaticContact CZ-CD1 3.69Å; F224-Y259 HydrophobicContact CZ-CD1 3.69Å; F224-Y259 AromaticContact CZ-CE1 3.88Å; F224-Y259 HydrophobicContact CZ-CE1 3.88Å; F224-Y259 HydrophobicContact CZ-CG 4.36Å; F224-W264 HydrophobicContact CD1-CZ3 4.44Å; F224-W264 AromaticContact CE1-CE3 3.92Å; F224-W264 HydrophobicContact CE1-CE3 3.92Å; F224-W264 AromaticContact CE1-CZ3 3.76Å; F224-W264 HydrophobicContact CE1-CZ3 3.76Å; F224-Y266 HydrophobicContact CB-CD2 3.97Å; F224-Y266 HydrophobicContact CB-CE2 3.52Å; F224-Y266 AromaticContact CD1-CD2 3.89Å; F224-Y266 HydrophobicContact CD1-CD2 3.89Å; F224-Y266 AromaticContact CD1-CE2 3.53Å; F224-Y266 HydrophobicContact CD1-CE2 3.53Å; F224-Y266 HydrophobicContact CD2-CE2 4.34Å; F224-Y266 HydrophobicContact CE1-CE2 4.34Å; F224-Y266 HydrophobicContact CG-CD2 4.19Å; F224-Y266 AromaticContact CG-CE2 3.53Å; F224-Y266 HydrophobicContact CG-CE2 3.53Å
225	E	92.6	Very high	95.8	Very high	65 Å²	65	54.1 Å²	54.1	30%	0.304	28%	0.279	S	S	.	.			trans	-107.4	-178.6	160.1	-56	-178.4	-159.4	0	0	107.9	K228	E225-K228 CarbonylContact C-O 3.57Å; E225-K228 WeakPolarHBondContact CA-O 3.38Å; E225-K228 HydrophobicContact CB-CG 4Å; E225-K228 WeakPolarHBondContact CB-O 3.25Å; E225-K228 HydrophobicContact CG-CG 4.43Å; E225-K228 PolarHBondContact N-O 3.14Å; E225-K228 WeakPolarHBondContact OE2-CE 3.28Å; E225-K228 IonicContact OE2-NZ 3.84Å
226	R	86.9	Confident	95.9	Very high	209 Å²	209	54.9 Å²	54.9	79%	0.789	27%	0.271	S	S	*	.	S	Bend	trans	-61.1	-56.9	-177.3	-79.9	-172.8	169.3	-175.7	-4.2	112.5	E267	R226-E267 VanDerWaalsContact O-CB 3.25Å; R226-E267 WeakPolarHBondContact O-CB 3.33Å; R226-E267 PolarHBondContact O-N 2.94Å
227	S	90.9	Very high	96	Very high	57 Å²	57	59.8 Å²	59.8	40%	0.399	30%	0.298	S	S	.	.	S	Bend	trans	-109.3	7.4	-173.8	56.3	0	0	0	0	114.3	T262 E267	S227-T262 WeakPolarHBondContact O-CG2 3.3Å; S227-E267 WeakPolarHBondContact CB-OE2 3.49Å
228	K	94.1	Very high	96.1	Very high	69 Å²	69	57 Å²	57	30%	0.3	28%	0.284	S	S	.	.			trans	-154.2	158.8	177.7	67.6	-178.6	179.1	-170.6	0	112.3	E225 P261 T262	E225-K228 CarbonylContact C-O 3.57Å; E225-K228 WeakPolarHBondContact CA-O 3.38Å; E225-K228 HydrophobicContact CB-CG 4Å; E225-K228 WeakPolarHBondContact CB-O 3.25Å; E225-K228 HydrophobicContact CG-CG 4.43Å; E225-K228 PolarHBondContact N-O 3.14Å; E225-K228 WeakPolarHBondContact OE2-CE 3.28Å; E225-K228 IonicContact OE2-NZ 3.84Å; K228-P261 CarbonylContact C-O 3.26Å; K228-P261 VanDerWaalsContact CA-O 3.29Å; K228-P261 WeakPolarHBondContact CA-O 3.49Å; K228-P261 WeakPolarHBondContact CB-O 3.02Å; K228-T262 HydrophobicContact CB-CG2 4.03Å
229	V	97.4	Very high	96.3	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.3	174.6	-168.7	0	0	0	0	109.1	L222 F224 V260 P261 W264 T265	L222-V229 HydrophobicContact CB-CG1 4.18Å; L222-V229 HydrophobicContact CD2-CG1 3.81Å; L222-V229 HydrophobicContact CG-CG1 4.5Å; F224-V229 HydrophobicContact CD1-CG1 4.2Å; F224-V229 HydrophobicContact CD1-CG2 3.51Å; F224-V229 HydrophobicContact CD2-CG1 4.5Å; F224-V229 HydrophobicContact CE1-CG1 4.21Å; F224-V229 HydrophobicContact CE1-CG2 3.64Å; F224-V229 HydrophobicContact CG-CG1 4.34Å; F224-V229 HydrophobicContact CG-CG2 4.31Å; F224-V229 HydrophobicContact CZ-CG1 4.36Å; V229-V260 HydrophobicContact CB-CG2 4.37Å; V229-V260 HydrophobicContact CG1-CG2 4.18Å; V229-P261 PolarHBondContact N-O 2.96Å; V229-P261 WeakPolarHBondContact O-CA 3.32Å; V229-W264 VanDerWaalsContact CG2-O 3.28Å; V229-W264 WeakPolarHBondContact CG2-O 3.42Å; V229-T265 HydrophobicContact CG2-CG2 4.41Å
230	R	96.7	Very high	96.4	Very high	8 Å²	8	50.9 Å²	50.9	3%	0.03	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	162.9	178.9	-65.4	-84.9	-66.8	-114.7	3.8	109.3	A110 E115 K223 L239	A110-R230 WeakPolarHBondContact O-CD 3.32Å; E115-R230 IonicContact OE1-CZ 3.52Å; E115-R230 IonicContact OE1-NH1 2.55Å; E115-R230 PolarHBondContact OE1-NH1 3.15Å; E115-R230 IonicContact OE1-NH2 3.31Å; E115-R230 PolarHBondContact OE1-NH2 2.88Å; E115-R230 IonicContact OE2-CZ 3.15Å; E115-R230 IonicContact OE2-NH1 2.74Å; E115-R230 PolarHBondContact OE2-NH1 3.22Å; E115-R230 IonicContact OE2-NH2 3.34Å; K223-R230 HydrophobicContact CB-CB 4.34Å; K223-R230 PolarHBondContact N-O 2.84Å; K223-R230 PolarHBondContact O-N 3.43Å; R230-L239 PolarHBondContact NH2-O 2.89Å
231	V	97.8	Very high	96.4	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	135.6	159.9	166.4	0	0	0	0	108.9	V220 L239 P240 I243 L256 V260	V220-V231 HydrophobicContact CB-CG1 4.3Å; V220-V231 HydrophobicContact CG1-CG1 3.49Å; V220-V231 VanDerWaalsContact CG1-CG1 3.49Å; V220-V231 HydrophobicContact CG1-CG2 4.35Å; V220-V231 HydrophobicContact CG2-CG1 4.07Å; V231-L239 WeakPolarHBondContact O-CA 3.48Å; V231-P240 WeakPolarHBondContact O-CD 3.48Å; V231-I243 HydrophobicContact CB-CD1 3.59Å; V231-I243 HydrophobicContact CB-CG1 4.2Å; V231-I243 HydrophobicContact CG1-CD1 3.88Å; V231-I243 HydrophobicContact CG2-CD1 3.86Å; V231-I243 HydrophobicContact CG2-CG1 3.91Å; V231-I243 HydrophobicContact CG2-CG2 4.49Å; V231-L256 HydrophobicContact CG2-CD1 4.01Å; V231-L256 HydrophobicContact CG2-CD2 4.14Å; V231-V260 HydrophobicContact CG2-CG2 4.25Å
232	R	98.3	Very high	96.5	Very high	92 Å²	92	47.4 Å²	47.4	35%	0.347	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.1	166.5	-171.4	-177.9	-168.4	-178.4	1.6	109.3	V221 K223 D237 T238 L239	V221-R232 HydrophobicContact CG2-CB 4.09Å; V221-R232 PolarHBondContact N-O 3.07Å; V221-R232 PolarHBondContact O-N 3.41Å; K223-R232 HydrophobicContact CB-CB 4.23Å; R232-D237 IonicContact CZ-OD1 3.35Å; R232-D237 IonicContact NE-OD1 3.25Å; R232-D237 PolarHBondContact NE-OD1 3.05Å; R232-D237 VanDerWaalsContact NH2-CG 3.35Å; R232-D237 IonicContact NH2-OD1 2.71Å; R232-D237 PolarHBondContact NH2-OD1 2.7Å; R232-D237 IonicContact NH2-OD2 3.22Å; R232-D237 PolarHBondContact NH2-OD2 3.48Å; R232-T238 CarbonylContact C-O 3.44Å; R232-T238 WeakPolarHBondContact CA-O 3.32Å; R232-L239 HydrophobicContact CB-CD2 3.72Å; R232-L239 HydrophobicContact CG-CD2 3.86Å
233	N	98.3	Very high	96.5	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	112.5	163.9	-176.1	-61	0	0	0	108.1	Q211 E219 A235 Y236 D237 T238	Q211-N233 PolarHBondContact OE1-ND2 3.27Å; E219-N233 CarbonylContact O-C 3.57Å; E219-N233 WeakPolarHBondContact O-CA 3.39Å; E219-N233 PolarHBondContact OE2-ND2 3.45Å; E219-N233 VanDerWaalsContact OE2-ND2 3.12Å; N233-A235 WeakPolarHBondContact OD1-CA 3.44Å; N233-A235 WeakPolarHBondContact OD1-CB 3.28Å; N233-A235 PolarHBondContact OD1-N 2.57Å; N233-Y236 WeakPolarHBondContact OD1-CD2 3.43Å; N233-Y236 PolarHBondContact OD1-N 3.45Å; N233-D237 VanDerWaalsContact O-CA 3.23Å; N233-D237 WeakPolarHBondContact O-CA 3.43Å; N233-D237 PolarHBondContact O-N 3.27Å; N233-T238 WeakPolarHBondContact CB-OG1 3.36Å; N233-T238 PolarHBondContact N-O 3.22Å; N233-T238 PolarHBondContact O-N 3.3Å
234	V	97.8	Very high	96.6	Very high	80 Å²	80	43.2 Å²	43.2	49%	0.485	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-21.6	-176.9	-61.2	0	0	0	0	113.1	E219 V221	E219-V234 WeakPolarHBondContact O-CG2 3.45Å; E219-V234 PolarHBondContact O-N 3.39Å; V221-V234 HydrophobicContact CG1-CG1 4.25Å; V221-V234 HydrophobicContact CG2-CG1 3.69Å
235	A	97.3	Very high	96.7	Very high	57 Å²	57	40.6 Å²	40.6	47%	0.471	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-33.4	178.4	0	0	0	0	0	112.3	E219 N233	E219-A235 HydrophobicContact CB-CB 4.2Å; E219-A235 HydrophobicContact CG-CB 3.93Å; N233-A235 WeakPolarHBondContact OD1-CA 3.44Å; N233-A235 WeakPolarHBondContact OD1-CB 3.28Å; N233-A235 PolarHBondContact OD1-N 2.57Å
236	Y	96.9	Very high	96.9	Very high	50 Å²	50	37.9 Å²	37.9	20%	0.196	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-0.7	-177.8	-50.1	-50.1	0	0	0	114.3	G151 K152 R206 N233	G151-Y236 WeakPolarHBondContact CA-OH 3.29Å; K152-Y236 HydrophobicContact CG-CE2 4.49Å; R206-Y236 HydrophobicContact CB-CD1 4.49Å; R206-Y236 HydrophobicContact CB-CD2 4.24Å; R206-Y236 HydrophobicContact CB-CG 3.97Å; R206-Y236 HydrophobicContact CG-CD1 4.21Å; R206-Y236 HydrophobicContact CG-CG 4.2Å; N233-Y236 WeakPolarHBondContact OD1-CD2 3.43Å; N233-Y236 PolarHBondContact OD1-N 3.45Å
237	D	97.6	Very high	97.2	Very high	104 Å²	104	30 Å²	30	56%	0.556	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.5	53	-173.7	-165.4	20	0	0	0	113.3	R232 N233	R232-D237 IonicContact CZ-OD1 3.35Å; R232-D237 IonicContact NE-OD1 3.25Å; R232-D237 PolarHBondContact NE-OD1 3.05Å; R232-D237 VanDerWaalsContact NH2-CG 3.35Å; R232-D237 IonicContact NH2-OD1 2.71Å; R232-D237 PolarHBondContact NH2-OD1 2.7Å; R232-D237 IonicContact NH2-OD2 3.22Å; R232-D237 PolarHBondContact NH2-OD2 3.48Å; N233-D237 VanDerWaalsContact O-CA 3.23Å; N233-D237 WeakPolarHBondContact O-CA 3.43Å; N233-D237 PolarHBondContact O-N 3.27Å
238	T	98	Very high	97.3	Very high	19 Å²	19	32.2 Å²	32.2	12%	0.117	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-118.1	159.1	179	58.9	0	0	0	0	111.1	R206 S207 R208 R232 N233 P240	R206-T238 VanDerWaalsContact O-CG2 3.3Å; R206-T238 WeakPolarHBondContact O-CG2 3.43Å; R206-T238 PolarHBondContact O-OG1 3.41Å; S207-T238 PolarHBondContact O-OG1 3.21Å; S207-T238 VanDerWaalsContact O-OG1 3.06Å; R208-T238 HydrophobicContact CG-CG2 3.99Å; R232-T238 CarbonylContact C-O 3.44Å; R232-T238 WeakPolarHBondContact CA-O 3.32Å; N233-T238 WeakPolarHBondContact CB-OG1 3.36Å; N233-T238 PolarHBondContact N-O 3.22Å; N233-T238 PolarHBondContact O-N 3.3Å; T238-P240 WeakPolarHBondContact O-CD 3.46Å
239	L	98.3	Very high	97.4	Very high	33 Å²	33	29 Å²	29	17%	0.173	17%	0.171	C	C	.	.			trans	-119	76.5	176	-63.5	173.3	0	0	0	109.8	R119 K223 R230 V231 R232	R119-L239 PolarHBondContact NH1-O 3.23Å; R119-L239 PolarHBondContact NH2-O 3.29Å; K223-L239 HydrophobicContact CD-CD1 4.38Å; K223-L239 HydrophobicContact CD-CD2 3.49Å; K223-L239 VanDerWaalsContact CD-CD2 3.49Å; R230-L239 PolarHBondContact NH2-O 2.89Å; V231-L239 WeakPolarHBondContact O-CA 3.48Å; R232-L239 HydrophobicContact CB-CD2 3.72Å; R232-L239 HydrophobicContact CG-CD2 3.86Å
240	P	98.4	Very high	97.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.			trans	-50.6	152.6	-169.2	-19.6	26.3	0	0	0	113.9	S207 Q211 V231 T238 I243	S207-P240 WeakPolarHBondContact O-CG 3.26Å; Q211-P240 HydrophobicContact CB-CB 3.62Å; Q211-P240 HydrophobicContact CB-CG 3.54Å; Q211-P240 HydrophobicContact CG-CG 4.21Å; V231-P240 WeakPolarHBondContact O-CD 3.48Å; T238-P240 WeakPolarHBondContact O-CD 3.46Å; P240-I243 HydrophobicContact CB-CD1 3.78Å; P240-I243 HydrophobicContact CG-CD1 4.28Å
241	V	98.5	Very high	97.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-88.7	-39.7	178.5	179.1	0	0	0	0	110.9	A110 A111 L116 I209	A110-V241 PolarHBondContact N-O 3.37Å; A111-V241 HydrophobicContact CB-CB 4.46Å; A111-V241 HydrophobicContact CB-CG1 4.15Å; A111-V241 HydrophobicContact CB-CG2 4.21Å; L116-V241 HydrophobicContact CB-CG1 4.16Å; L116-V241 HydrophobicContact CD1-CB 4.4Å; L116-V241 HydrophobicContact CD1-CG1 4.16Å; I209-V241 HydrophobicContact CG2-CB 4.45Å; I209-V241 WeakPolarHBondContact O-CA 3.34Å; I209-V241 PolarHBondContact O-N 3.41Å
242	V	98.8	Very high	97.2	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.012	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	126.9	-177.9	-176.4	0	0	0	0	108.1	M100 V102 V107 L109 I209 F210 Q211	M100-V242 HydrophobicContact CE-CG2 4.18Å; M100-V242 HydrophobicContact SD-CG2 3.86Å; V102-V242 HydrophobicContact CG1-CG1 3.91Å; V102-V242 HydrophobicContact CG1-CG2 4.37Å; V107-V242 HydrophobicContact CG1-CG1 3.58Å; L109-V242 HydrophobicContact CD2-CB 4.43Å; L109-V242 HydrophobicContact CD2-CG1 4.4Å; L109-V242 HydrophobicContact CD2-CG2 3.8Å; I209-V242 PolarHBondContact O-N 2.74Å; F210-V242 HydrophobicContact CD1-CB 3.72Å; F210-V242 HydrophobicContact CD1-CG1 4.05Å; F210-V242 HydrophobicContact CD1-CG2 3.86Å; F210-V242 HydrophobicContact CE1-CB 4.26Å; F210-V242 HydrophobicContact CE1-CG2 3.89Å; Q211-V242 PolarHBondContact N-O 2.96Å
243	I	98.8	Very high	97.2	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	122.6	174.1	-42.3	-58.6	0	0	0	107.8	V107 I108 A110 Q211 L213 V231 P240 L253 L256	V107-I243 WeakPolarHBondContact CA-O 3.48Å; I108-I243 HydrophobicContact CD1-CB 4.28Å; I108-I243 HydrophobicContact CD1-CG1 4.4Å; I108-I243 HydrophobicContact CG1-CB 3.71Å; I108-I243 HydrophobicContact CG1-CG1 4.02Å; I108-I243 PolarHBondContact N-O 3.49Å; I108-I243 PolarHBondContact O-N 3.15Å; A110-I243 HydrophobicContact CB-CG1 4.33Å; Q211-I243 HydrophobicContact CB-CD1 3.85Å; Q211-I243 HydrophobicContact CG-CD1 4.42Å; L213-I243 HydrophobicContact CD1-CG2 4.31Å; L213-I243 HydrophobicContact CD2-CG2 3.97Å; L213-I243 HydrophobicContact CG-CG2 4.17Å; V231-I243 HydrophobicContact CB-CD1 3.59Å; V231-I243 HydrophobicContact CB-CG1 4.2Å; V231-I243 HydrophobicContact CG1-CD1 3.88Å; V231-I243 HydrophobicContact CG2-CD1 3.86Å; V231-I243 HydrophobicContact CG2-CG1 3.91Å; V231-I243 HydrophobicContact CG2-CG2 4.49Å; P240-I243 HydrophobicContact CB-CD1 3.78Å; P240-I243 HydrophobicContact CG-CD1 4.28Å; I243-L253 HydrophobicContact CB-CD1 4.25Å; I243-L253 HydrophobicContact CG2-CD1 3.86Å; I243-L256 HydrophobicContact CG2-CD1 4.05Å
244	H	98.8	Very high	97.2	Very high	8 Å²	8	34.7 Å²	34.7	4%	0.037	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	113.5	-173.9	179.5	-157.2	0	0	0	109.7	D103 D106 V107 Q211 N212 L213 N246	D103-H244 IonicContact OD2-NE2 2.79Å; D106-H244 WeakPolarHBondContact O-CA 3.44Å; D106-H244 PolarHBondContact O-CD2 3.22Å; D106-H244 IonicContact OD1-CD2 3.9Å; D106-H244 IonicContact OD1-NE2 3.53Å; D106-H244 IonicContact OD2-CD2 2.67Å; D106-H244 PolarHBondContact OD2-CD2 2.84Å; D106-H244 IonicContact OD2-NE2 3.08Å; D106-H244 PolarHBondContact OD2-NE2 3.09Å; V107-H244 HydrophobicContact CG2-CB 4.18Å; Q211-H244 PolarHBondContact O-N 3.22Å; N212-H244 PolarHBondContact OD1-ND1 3.11Å; L213-H244 PolarHBondContact N-O 3.03Å; H244-N246 VanDerWaalsContact CE1-CB 3.46Å; H244-N246 WeakPolarHBondContact CE1-CB 3.37Å; H244-N246 PolarHBondContact O-N 3.28Å; H244-N246 PolarHBondContact O-OD1 2.9Å
245	G	98.1	Very high	97.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	19%	0.187	C	C	.	.			trans	-78.5	49.6	176.6	0	0	0	0	0	112.7	D106 T249 K250	D106-G245 PolarHBondContact O-N 2.78Å; G245-T249 VanDerWaalsContact CA-OG1 3.3Å; G245-T249 WeakPolarHBondContact CA-OG1 3.22Å; G245-T249 PolarHBondContact O-OG1 3.43Å; G245-K250 VanDerWaalsContact O-CD 3.3Å; G245-K250 WeakPolarHBondContact O-CD 3.39Å; G245-K250 WeakPolarHBondContact O-CE 3.38Å; G245-K250 PolarHBondContact O-NZ 3.34Å
246	N	96.6	Very high	97.3	Very high	8 Å²	8	30.5 Å²	30.5	4%	0.043	17%	0.167	C	C	.	.			trans	-61.5	151	-174.5	67.9	-49.6	0	0	0	112.8	N156 N212 L213 N214 H244 T249	N156-N246 PolarHBondContact ND2-ND2 3.23Å; N212-N246 WeakPolarHBondContact CB-OD1 3.49Å; L213-N246 PolarHBondContact N-OD1 3.49Å; L213-N246 VanDerWaalsContact N-OD1 3.12Å; N214-N246 WeakPolarHBondContact CB-ND2 3.41Å; N214-N246 WeakPolarHBondContact CB-OD1 3.41Å; N214-N246 PolarHBondContact N-OD1 3.23Å; H244-N246 VanDerWaalsContact CE1-CB 3.46Å; H244-N246 WeakPolarHBondContact CE1-CB 3.37Å; H244-N246 PolarHBondContact O-N 3.28Å; H244-N246 PolarHBondContact O-OD1 2.9Å; N246-T249 PolarHBondContact N-OG1 2.86Å; N246-T249 PolarHBondContact O-N 2.67Å; N246-T249 PolarHBondContact O-OG1 3.32Å
247	G	92.9	Very high	97.4	Very high	43 Å²	43	28.6 Å²	28.6	44%	0.443	16%	0.162	S	C	.	.	G	3₁₀ helix	trans	56.6	-133.1	-179.5	0	0	0	0	0	113	T249 K250	G247-T249 PolarHBondContact O-N 3.03Å; G247-T249 VanDerWaalsContact O-N 3.1Å; G247-K250 VanDerWaalsContact O-CE 3.28Å; G247-K250 WeakPolarHBondContact O-CE 3.38Å; G247-K250 PolarHBondContact O-NZ 2.95Å
248	P	93.5	Very high	97.4	Very high	104 Å²	104	24.5 Å²	24.5	68%	0.675	14%	0.14	S	C	*	.	G	3₁₀ helix	trans	-81.3	20.8	-172.5	36	-37.7	0	0	0	114.1
249	T	96	Very high	97.4	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	14%	0.135	C	C	.	.	G	3₁₀ helix	trans	-107.6	17.6	-171.8	64.6	0	0	0	0	114.3	L213 N214 I217 G245 N246 G247 L251 Q252 L253	L213-T249 HydrophobicContact CB-CG2 4.12Å; L213-T249 WeakPolarHBondContact CB-OG1 3.46Å; N214-T249 HydrophobicContact CB-CG2 4.15Å; I217-T249 HydrophobicContact CD1-CG2 3.84Å; I217-T249 HydrophobicContact CG1-CG2 4.17Å; G245-T249 VanDerWaalsContact CA-OG1 3.3Å; G245-T249 WeakPolarHBondContact CA-OG1 3.22Å; G245-T249 PolarHBondContact O-OG1 3.43Å; N246-T249 PolarHBondContact N-OG1 2.86Å; N246-T249 PolarHBondContact O-N 2.67Å; N246-T249 PolarHBondContact O-OG1 3.32Å; G247-T249 PolarHBondContact O-N 3.03Å; G247-T249 VanDerWaalsContact O-N 3.1Å; T249-L251 VanDerWaalsContact C-N 3.27Å; T249-L251 PolarHBondContact O-N 3.13Å; T249-Q252 PolarHBondContact O-N 3.17Å; T249-L253 PolarHBondContact O-N 3.15Å
250	K	96	Very high	97.4	Very high	87 Å²	87	22.1 Å²	22.1	38%	0.378	13%	0.127	S	C	.	.	H	α-helix	trans	-57	-40.1	179.1	-49.9	-60.2	175.8	-145.5	0	112.1	D106 G245 G247 L253 N254	D106-K250 HydrophobicContact CB-CD 3.7Å; D106-K250 IonicContact OD2-NZ 2.73Å; D106-K250 PolarHBondContact OD2-NZ 2.86Å; G245-K250 VanDerWaalsContact O-CD 3.3Å; G245-K250 WeakPolarHBondContact O-CD 3.39Å; G245-K250 WeakPolarHBondContact O-CE 3.38Å; G245-K250 PolarHBondContact O-NZ 3.34Å; G247-K250 VanDerWaalsContact O-CE 3.28Å; G247-K250 WeakPolarHBondContact O-CE 3.38Å; G247-K250 PolarHBondContact O-NZ 2.95Å; K250-L253 WeakPolarHBondContact O-CB 3.38Å; K250-L253 PolarHBondContact O-N 2.87Å; K250-N254 VanDerWaalsContact O-CG 3.29Å; K250-N254 PolarHBondContact O-N 2.79Å; K250-N254 PolarHBondContact O-OD1 2.79Å
251	L	96.3	Very high	97.2	Very high	50 Å²	50	22.3 Å²	22.3	26%	0.262	13%	0.128	S	C	.	.	H	α-helix	trans	-71.4	-38.2	-178.5	-57	-176.7	0	0	0	112.2	T249 L253 N254 Y255 L425 P452	T249-L251 VanDerWaalsContact C-N 3.27Å; T249-L251 PolarHBondContact O-N 3.13Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 3.25Å; L251-N254 WeakPolarHBondContact O-CB 3.37Å; L251-N254 PolarHBondContact O-N 3.48Å; L251-N254 VanDerWaalsContact O-N 3.15Å; L251-Y255 PolarHBondContact O-N 3.16Å; L251-L425 HydrophobicContact CD1-CD1 3.69Å; L251-L425 HydrophobicContact CD1-CG 4.2Å; L251-P452 HydrophobicContact CD1-CB 4.17Å; L251-P452 HydrophobicContact CD2-CB 4.35Å
252	Q	97.1	Very high	97.1	Very high	64 Å²	64	24.1 Å²	24.1	30%	0.299	14%	0.139	S	C	.	.	H	α-helix	trans	-63.5	-38.6	172.3	-73.4	73.6	23.3	0	0	111	L213 I217 T249 N254 Y255 L256	L213-Q252 HydrophobicContact CD1-CB 4.24Å; I217-Q252 HydrophobicContact CD1-CG 3.93Å; I217-Q252 HydrophobicContact CG1-CG 4.29Å; I217-Q252 HydrophobicContact CG2-CG 4.01Å; T249-Q252 PolarHBondContact O-N 3.17Å; Q252-N254 VanDerWaalsContact C-N 3.34Å; Q252-Y255 WeakPolarHBondContact O-CB 3.07Å; Q252-Y255 PolarHBondContact O-N 2.84Å; Q252-L256 WeakPolarHBondContact O-CG 3.43Å; Q252-L256 PolarHBondContact O-N 2.91Å
253	L	98.4	Very high	97	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.6	-36.8	172.6	-171.3	74.5	0	0	0	112.5	D106 I108 L213 I243 T249 K250 L251 Y255 L256 G257	D106-L253 VanDerWaalsContact CA-CD2 3.44Å; D106-L253 HydrophobicContact CB-CD2 4.01Å; D106-L253 WeakPolarHBondContact O-CD2 3.15Å; I108-L253 HydrophobicContact CD1-CD1 4.02Å; I108-L253 HydrophobicContact CG1-CD1 3.94Å; I108-L253 HydrophobicContact CG2-CD1 4.49Å; L213-L253 HydrophobicContact CD1-CB 4.07Å; L213-L253 HydrophobicContact CD1-CD1 4.22Å; I243-L253 HydrophobicContact CB-CD1 4.25Å; I243-L253 HydrophobicContact CG2-CD1 3.86Å; T249-L253 PolarHBondContact O-N 3.15Å; K250-L253 WeakPolarHBondContact O-CB 3.38Å; K250-L253 PolarHBondContact O-N 2.87Å; L251-L253 VanDerWaalsContact C-N 3.28Å; L251-L253 PolarHBondContact O-N 3.25Å; L253-Y255 VanDerWaalsContact C-N 3.35Å; L253-L256 PolarHBondContact O-N 2.82Å; L253-G257 PolarHBondContact O-N 2.98Å
254	N	98	Very high	96.9	Very high	18 Å²	18	26 Å²	26	10%	0.096	15%	0.152	C	C	.	.	H	α-helix	trans	-60	-45.3	173.8	-69.6	-4.3	0	0	0	111.4	R45 K250 L251 Q252 G257 N258	R45-N254 PolarHBondContact NH1-OD1 3.48Å; R45-N254 PolarHBondContact NH2-OD1 2.87Å; K250-N254 VanDerWaalsContact O-CG 3.29Å; K250-N254 PolarHBondContact O-N 2.79Å; K250-N254 PolarHBondContact O-OD1 2.79Å; L251-N254 WeakPolarHBondContact O-CB 3.37Å; L251-N254 PolarHBondContact O-N 3.48Å; L251-N254 VanDerWaalsContact O-N 3.15Å; Q252-N254 VanDerWaalsContact C-N 3.34Å; N254-G257 PolarHBondContact O-N 2.87Å; N254-N258 PolarHBondContact O-N 2.96Å
255	Y	98.3	Very high	96.8	Very high	42 Å²	42	25.7 Å²	25.7	17%	0.165	15%	0.151	C	C	.	.	H	α-helix	trans	-56.3	-52.8	172.1	164.4	-110.1	0	0	0	111.9	L222 L251 Q252 L253 G257 N258 Y259 E435 D436	L222-Y255 HydrophobicContact CD1-CE1 4.1Å; L222-Y255 HydrophobicContact CD1-CE2 4.41Å; L222-Y255 WeakPolarHBondContact CD1-OH 3.33Å; L222-Y255 HydrophobicContact CG-CE1 4.44Å; L251-Y255 PolarHBondContact O-N 3.16Å; Q252-Y255 WeakPolarHBondContact O-CB 3.07Å; Q252-Y255 PolarHBondContact O-N 2.84Å; L253-Y255 VanDerWaalsContact C-N 3.35Å; Y255-G257 VanDerWaalsContact C-N 3.26Å; Y255-G257 PolarHBondContact O-N 2.78Å; Y255-N258 WeakPolarHBondContact O-CB 3.24Å; Y255-N258 PolarHBondContact O-N 2.81Å; Y255-N258 VanDerWaalsContact O-N 3.15Å; Y255-Y259 HydrophobicContact CD2-CE2 4.14Å; Y255-Y259 AromaticContact CE2-CE2 3.76Å; Y255-Y259 HydrophobicContact CE2-CE2 3.76Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.33Å; Y255-E435 PolarHBondContact OH-OE2 2.91Å; Y255-D436 HydrophobicContact CE2-CB 4.34Å; Y255-D436 WeakPolarHBondContact CE2-OD2 3.44Å
256	L	98.4	Very high	96.6	Very high	7 Å²	7	32.3 Å²	32.3	4%	0.037	18%	0.177	C	C	.	.	H	α-helix	trans	-61.4	-36.4	179.3	-64.4	174.8	0	0	0	112.1	I108 L213 V220 L222 V231 I243 Q252 L253 N258 Y259 V260	I108-L256 HydrophobicContact CD1-CB 4.3Å; L213-L256 HydrophobicContact CD1-CD1 3.99Å; L213-L256 HydrophobicContact CD2-CD1 4.12Å; V220-L256 HydrophobicContact CG1-CD1 4.01Å; V220-L256 HydrophobicContact CG1-CD2 4.33Å; L222-L256 HydrophobicContact CD2-CD2 3.56Å; L222-L256 HydrophobicContact CG-CD2 3.96Å; V231-L256 HydrophobicContact CG2-CD1 4.01Å; V231-L256 HydrophobicContact CG2-CD2 4.14Å; I243-L256 HydrophobicContact CG2-CD1 4.05Å; Q252-L256 WeakPolarHBondContact O-CG 3.43Å; Q252-L256 PolarHBondContact O-N 2.91Å; L253-L256 PolarHBondContact O-N 2.82Å; L256-N258 VanDerWaalsContact C-N 3.25Å; L256-N258 PolarHBondContact O-N 2.86Å; L256-Y259 PolarHBondContact O-N 2.86Å; L256-Y259 VanDerWaalsContact O-N 3.09Å; L256-V260 WeakPolarHBondContact O-CB 3.41Å; L256-V260 PolarHBondContact O-N 2.83Å
257	G	97.8	Very high	96.4	Very high	10 Å²	10	37.3 Å²	37.3	10%	0.103	20%	0.2	C	C	.	.	H	α-helix	trans	-68.2	-17.5	178.8	0	0	0	0	0	114.6	L253 N254 Y255 Y259 A263	L253-G257 PolarHBondContact O-N 2.98Å; N254-G257 PolarHBondContact O-N 2.87Å; Y255-G257 VanDerWaalsContact C-N 3.26Å; Y255-G257 PolarHBondContact O-N 2.78Å; G257-Y259 PolarHBondContact O-N 2.99Å; G257-A263 WeakPolarHBondContact O-CB 3.3Å
258	N	98	Very high	96.4	Very high	17 Å²	17	41 Å²	41	9%	0.091	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-13	170.4	-67.9	-29.8	0	0	0	112.5	N254 Y255 L256 A263 W264 W449 N450	N254-N258 PolarHBondContact O-N 2.96Å; Y255-N258 WeakPolarHBondContact O-CB 3.24Å; Y255-N258 PolarHBondContact O-N 2.81Å; Y255-N258 VanDerWaalsContact O-N 3.15Å; L256-N258 VanDerWaalsContact C-N 3.25Å; L256-N258 PolarHBondContact O-N 2.86Å; N258-A263 CarbonylContact O-C 3.46Å; N258-A263 VanDerWaalsContact O-CB 3.31Å; N258-A263 WeakPolarHBondContact O-CB 3.49Å; N258-W264 WeakPolarHBondContact O-CB 3.29Å; N258-W264 PolarHBondContact O-N 3.33Å; N258-W449 HydrophobicContact CB-CE3 4.03Å; N258-W449 HydrophobicContact CB-CZ3 4.34Å; N258-N450 PolarHBondContact ND2-N 3.48Å; N258-N450 PolarHBondContact ND2-O 3.16Å; N258-N450 VanDerWaalsContact OD1-CB 3.28Å; N258-N450 WeakPolarHBondContact OD1-CB 3.45Å; N258-N450 PolarHBondContact OD1-N 3.38Å
259	Y	98.1	Very high	96.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.4	-49.9	-177.9	-60.7	-82.6	0	0	0	112.3	L222 F224 Y255 L256 G257 P261 T262 A263 W264 D436 R445 W449	L222-Y259 HydrophobicContact CD1-CD1 4.38Å; L222-Y259 HydrophobicContact CD1-CD2 3.42Å; L222-Y259 VanDerWaalsContact CD1-CD2 3.42Å; L222-Y259 HydrophobicContact CD1-CE2 3.8Å; L222-Y259 HydrophobicContact CD1-CG 3.75Å; L222-Y259 HydrophobicContact CD2-CD2 4.39Å; L222-Y259 HydrophobicContact CD2-CG 4.42Å; F224-Y259 AromaticContact CE1-CD1 3.79Å; F224-Y259 HydrophobicContact CE1-CD1 3.79Å; F224-Y259 HydrophobicContact CE1-CE1 4.2Å; F224-Y259 AromaticContact CZ-CD1 3.69Å; F224-Y259 HydrophobicContact CZ-CD1 3.69Å; F224-Y259 AromaticContact CZ-CE1 3.88Å; F224-Y259 HydrophobicContact CZ-CE1 3.88Å; F224-Y259 HydrophobicContact CZ-CG 4.36Å; Y255-Y259 HydrophobicContact CD2-CE2 4.14Å; Y255-Y259 AromaticContact CE2-CE2 3.76Å; Y255-Y259 HydrophobicContact CE2-CE2 3.76Å; Y255-Y259 WeakPolarHBondContact O-CD2 3.33Å; L256-Y259 PolarHBondContact O-N 2.86Å; L256-Y259 VanDerWaalsContact O-N 3.09Å; G257-Y259 PolarHBondContact O-N 2.99Å; Y259-P261 CarbonylContact O-C 3.59Å; Y259-P261 VanDerWaalsContact O-C 3.23Å; Y259-T262 PolarHBondContact O-N 2.93Å; Y259-A263 PolarHBondContact O-N 3.48Å; Y259-W264 HydrophobicContact CD1-CB 4.04Å; Y259-W264 HydrophobicContact CD1-CD2 4.47Å; Y259-W264 AromaticContact CD1-CE3 3.85Å; Y259-W264 HydrophobicContact CD1-CE3 3.85Å; Y259-W264 HydrophobicContact CE1-CB 4.36Å; Y259-W264 HydrophobicContact CE1-CD2 4.26Å; Y259-W264 AromaticContact CE1-CE3 3.75Å; Y259-W264 HydrophobicContact CE1-CE3 3.75Å; Y259-W264 HydrophobicContact CE1-CZ3 4.45Å; Y259-D436 WeakPolarHBondContact CE2-OD2 3.38Å; Y259-D436 WeakPolarHBondContact OH-CB 3.18Å; Y259-D436 VanDerWaalsContact OH-CG 3.29Å; Y259-D436 PolarHBondContact OH-OD2 3.39Å; Y259-R445 VanDerWaalsContact CZ-NH1 3.34Å; Y259-R445 PolarHBondContact OH-NH1 2.94Å; Y259-W449 HydrophobicContact CE1-CH2 4.3Å; Y259-W449 AromaticContact CE1-CZ3 3.87Å; Y259-W449 HydrophobicContact CE1-CZ3 3.87Å; Y259-W449 HydrophobicContact CE2-CZ3 4.33Å; Y259-W449 AromaticContact CZ-CZ3 3.64Å; Y259-W449 WeakPolarHBondContact OH-CZ3 3.44Å
260	V	97.8	Very high	96.4	Very high	3 Å²	3	38.5 Å²	38.5	2%	0.018	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	133.1	-166.4	177.7	0	0	0	0	111.7	I108 A110 L222 V229 V231 L256	I108-V260 HydrophobicContact CD1-CB 3.88Å; I108-V260 HydrophobicContact CD1-CG1 3.96Å; A110-V260 HydrophobicContact CB-CG1 3.67Å; L222-V260 HydrophobicContact CD2-CG2 3.81Å; V229-V260 HydrophobicContact CB-CG2 4.37Å; V229-V260 HydrophobicContact CG1-CG2 4.18Å; V231-V260 HydrophobicContact CG2-CG2 4.25Å; L256-V260 WeakPolarHBondContact O-CB 3.41Å; L256-V260 PolarHBondContact O-N 2.83Å
261	P	95.8	Very high	96.2	Very high	4 Å²	4	36.5 Å²	36.5	3%	0.026	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	cis	-86.4	-26.1	-7	36	-37.5	0	0	0	113.1	F53 K228 V229 Y259	F53-P261 HydrophobicContact CE2-CB 3.85Å; F53-P261 HydrophobicContact CE2-CG 3.69Å; F53-P261 HydrophobicContact CZ-CB 3.63Å; F53-P261 HydrophobicContact CZ-CG 3.88Å; K228-P261 CarbonylContact C-O 3.26Å; K228-P261 VanDerWaalsContact CA-O 3.29Å; K228-P261 WeakPolarHBondContact CA-O 3.49Å; K228-P261 WeakPolarHBondContact CB-O 3.02Å; V229-P261 PolarHBondContact N-O 2.96Å; V229-P261 WeakPolarHBondContact O-CA 3.32Å; Y259-P261 CarbonylContact O-C 3.59Å; Y259-P261 VanDerWaalsContact O-C 3.23Å
262	T	96.2	Very high	95.7	Very high	37 Å²	37	34.7 Å²	34.7	23%	0.227	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.9	22.9	-178.5	66.4	0	0	0	0	112.9	Q52 S227 K228 Y259 W264	Q52-T262 PolarHBondContact NE2-OG1 3.48Å; Q52-T262 PolarHBondContact OE1-OG1 2.85Å; S227-T262 WeakPolarHBondContact O-CG2 3.3Å; K228-T262 HydrophobicContact CB-CG2 4.03Å; Y259-T262 PolarHBondContact O-N 2.93Å; T262-W264 PolarHBondContact O-N 2.85Å
263	A	96.1	Very high	95.5	Very high	27 Å²	27	31.7 Å²	31.7	22%	0.223	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-38.8	178.6	0	0	0	0	0	110.8	G257 N258 Y259 C270 G271	G257-A263 WeakPolarHBondContact O-CB 3.3Å; N258-A263 CarbonylContact O-C 3.46Å; N258-A263 VanDerWaalsContact O-CB 3.31Å; N258-A263 WeakPolarHBondContact O-CB 3.49Å; Y259-A263 PolarHBondContact O-N 3.48Å; A263-C270 CarbonylContact O-C 3.59Å; A263-C270 WeakPolarHBondContact O-CA 3.28Å; A263-G271 PolarHBondContact O-N 3.11Å
264	W	97.4	Very high	95.1	Very high	15 Å²	15	36.5 Å²	36.5	6%	0.057	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	133.3	167.4	-170.4	96.2	0	0	0	110.8	F224 V229 N258 Y259 T262 Y266 G269 R445 V446 W449	F224-W264 HydrophobicContact CD1-CZ3 4.44Å; F224-W264 AromaticContact CE1-CE3 3.92Å; F224-W264 HydrophobicContact CE1-CE3 3.92Å; F224-W264 AromaticContact CE1-CZ3 3.76Å; F224-W264 HydrophobicContact CE1-CZ3 3.76Å; V229-W264 VanDerWaalsContact CG2-O 3.28Å; V229-W264 WeakPolarHBondContact CG2-O 3.42Å; N258-W264 WeakPolarHBondContact O-CB 3.29Å; N258-W264 PolarHBondContact O-N 3.33Å; Y259-W264 HydrophobicContact CD1-CB 4.04Å; Y259-W264 HydrophobicContact CD1-CD2 4.47Å; Y259-W264 AromaticContact CD1-CE3 3.85Å; Y259-W264 HydrophobicContact CD1-CE3 3.85Å; Y259-W264 HydrophobicContact CE1-CB 4.36Å; Y259-W264 HydrophobicContact CE1-CD2 4.26Å; Y259-W264 AromaticContact CE1-CE3 3.75Å; Y259-W264 HydrophobicContact CE1-CE3 3.75Å; Y259-W264 HydrophobicContact CE1-CZ3 4.45Å; T262-W264 PolarHBondContact O-N 2.85Å; W264-Y266 AromaticContact CH2-CD1 3.68Å; W264-Y266 HydrophobicContact CH2-CD1 3.68Å; W264-Y266 AromaticContact CH2-CE1 3.79Å; W264-Y266 HydrophobicContact CH2-CE1 3.79Å; W264-Y266 AromaticContact CZ3-CD1 3.96Å; W264-Y266 HydrophobicContact CZ3-CD1 3.96Å; W264-Y266 AromaticContact CZ3-CE1 3.96Å; W264-Y266 HydrophobicContact CZ3-CE1 3.96Å; W264-Y266 HydrophobicContact CZ3-CG 4.49Å; W264-G269 CarbonylContact C-O 3.52Å; W264-G269 VanDerWaalsContact CA-O 3.28Å; W264-G269 WeakPolarHBondContact CA-O 3.37Å; W264-R445 HydrophobicContact CH2-CB 4.31Å; W264-R445 HydrophobicContact CH2-CG 3.58Å; W264-R445 HydrophobicContact CZ2-CB 3.71Å; W264-R445 HydrophobicContact CZ2-CG 3.48Å; W264-R445 VanDerWaalsContact CZ2-CG 3.48Å; W264-R445 HydrophobicContact CZ3-CG 4.23Å; W264-V446 PolarHBondContact NE1-O 3.33Å; W264-V446 VanDerWaalsContact NE1-O 3.13Å; W264-W449 HydrophobicContact CB-CH2 4.24Å; W264-W449 HydrophobicContact CB-CZ3 4.43Å; W264-W449 AromaticContact CD1-CH2 3.58Å; W264-W449 AromaticContact CD1-CZ2 3.98Å; W264-W449 HydrophobicContact CD2-CH2 4.1Å; W264-W449 AromaticContact CG-CH2 3.72Å; W264-W449 HydrophobicContact CG-CH2 3.72Å; W264-W449 HydrophobicContact CG-CZ3 4.36Å; W264-W449 AromaticContact NE1-CH2 3.89Å
265	T	96.5	Very high	94.7	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	160.3	-178.7	67.2	0	0	0	0	111.4	V229 E267 H268 G269	V229-T265 HydrophobicContact CG2-CG2 4.41Å; T265-E267 VanDerWaalsContact C-N 3.3Å; T265-E267 PolarHBondContact O-N 3.42Å; T265-H268 PolarHBondContact OG1-N 2.98Å; T265-H268 VanDerWaalsContact OG1-N 3.14Å; T265-G269 PolarHBondContact N-O 2.91Å; T265-G269 VanDerWaalsContact O-CA 3.23Å; T265-G269 WeakPolarHBondContact O-CA 3.44Å; T265-G269 PolarHBondContact O-N 2.85Å
266	Y	93.1	Very high	94.3	Very high	139 Å²	139	43.1 Å²	43.1	55%	0.545	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-29.6	176	-71.5	-58.7	0	0	0	113.4	F224 W264	F224-Y266 HydrophobicContact CB-CD2 3.97Å; F224-Y266 HydrophobicContact CB-CE2 3.52Å; F224-Y266 AromaticContact CD1-CD2 3.89Å; F224-Y266 HydrophobicContact CD1-CD2 3.89Å; F224-Y266 AromaticContact CD1-CE2 3.53Å; F224-Y266 HydrophobicContact CD1-CE2 3.53Å; F224-Y266 HydrophobicContact CD2-CE2 4.34Å; F224-Y266 HydrophobicContact CE1-CE2 4.34Å; F224-Y266 HydrophobicContact CG-CD2 4.19Å; F224-Y266 AromaticContact CG-CE2 3.53Å; F224-Y266 HydrophobicContact CG-CE2 3.53Å; W264-Y266 AromaticContact CH2-CD1 3.68Å; W264-Y266 HydrophobicContact CH2-CD1 3.68Å; W264-Y266 AromaticContact CH2-CE1 3.79Å; W264-Y266 HydrophobicContact CH2-CE1 3.79Å; W264-Y266 AromaticContact CZ3-CD1 3.96Å; W264-Y266 HydrophobicContact CZ3-CD1 3.96Å; W264-Y266 AromaticContact CZ3-CE1 3.96Å; W264-Y266 HydrophobicContact CZ3-CE1 3.96Å; W264-Y266 HydrophobicContact CZ3-CG 4.49Å
267	E	92.9	Very high	94.1	Very high	114 Å²	114	45.9 Å²	45.9	53%	0.533	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-39.9	-176.5	-172.4	171.3	178.4	0	0	112.9	R226 S227 T265	R226-E267 VanDerWaalsContact O-CB 3.25Å; R226-E267 WeakPolarHBondContact O-CB 3.33Å; R226-E267 PolarHBondContact O-N 2.94Å; S227-E267 WeakPolarHBondContact CB-OE2 3.49Å; T265-E267 VanDerWaalsContact C-N 3.3Å; T265-E267 PolarHBondContact O-N 3.42Å
268	H	92.7	Very high	93.9	Very high	120 Å²	120	47.3 Å²	47.3	56%	0.556	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	-3	-172.7	-55.2	-55.7	0	0	0	113.7	T265 C270	T265-H268 PolarHBondContact OG1-N 2.98Å; T265-H268 VanDerWaalsContact OG1-N 3.14Å; H268-C270 PolarHBondContact O-N 2.83Å
269	G	95.3	Very high	93.5	Very high	23 Å²	23	52.8 Å²	52.8	24%	0.237	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	61.7	-134.3	-169.3	0	0	0	0	0	110.2	W264 T265 G271	W264-G269 CarbonylContact C-O 3.52Å; W264-G269 VanDerWaalsContact CA-O 3.28Å; W264-G269 WeakPolarHBondContact CA-O 3.37Å; T265-G269 PolarHBondContact N-O 2.91Å; T265-G269 VanDerWaalsContact O-CA 3.23Å; T265-G269 WeakPolarHBondContact O-CA 3.44Å; T265-G269 PolarHBondContact O-N 2.85Å; G269-G271 PolarHBondContact O-N 3.45Å
270	C	94.1	Very high	93	Very high	30 Å²	30	52.9 Å²	52.9	20%	0.203	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	111	178.6	-172.7	0	0	0	0	112.3	A263 H268 G272 C273	A263-C270 CarbonylContact O-C 3.59Å; A263-C270 WeakPolarHBondContact O-CA 3.28Å; H268-C270 PolarHBondContact O-N 2.83Å; C270-G272 VanDerWaalsContact C-N 3.33Å; C270-G272 PolarHBondContact O-N 2.81Å; C270-C273 HydrophobicContact CB-CB 3.74Å; C270-C273 WeakPolarHBondContact CB-SG 3.3Å; C270-C273 WeakPolarHBondContact SG-CB 3.5Å; C270-C273 PolarHBondContact SG-N 2.89Å; C270-C273 CovalentContact SG-SG 2Å; C270-C273 PolarHBondContact SG-SG 3.18Å
271	G	91.4	Very high	92.1	Very high	45 Å²	45	55.9 Å²	55.9	46%	0.464	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-1.9	-176.2	0	0	0	0	0	115.4	A263 G269	A263-G271 PolarHBondContact O-N 3.11Å; G269-G271 PolarHBondContact O-N 3.45Å
272	G	87.3	Confident	91.1	Very high	12 Å²	12	63.3 Å²	63.3	12%	0.124	36%	0.361	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.6	13	-178.2	0	0	0	0	0	114.7	C270 D274 D275	C270-G272 VanDerWaalsContact C-N 3.33Å; C270-G272 PolarHBondContact O-N 2.81Å; G272-D274 VanDerWaalsContact C-N 3.28Å; G272-D275 WeakPolarHBondContact CA-OD2 3.43Å; G272-D275 WeakPolarHBondContact O-CB 3.49Å; G272-D275 PolarHBondContact O-N 2.98Å
273	C	91.1	Very high	90.6	Very high	2 Å²	2	66.8 Å²	66.8	1%	0.014	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-24.7	-177.3	-78.7	0	0	0	0	112	C270 L448 R502	C270-C273 HydrophobicContact CB-CB 3.74Å; C270-C273 WeakPolarHBondContact CB-SG 3.3Å; C270-C273 WeakPolarHBondContact SG-CB 3.5Å; C270-C273 PolarHBondContact SG-N 2.89Å; C270-C273 CovalentContact SG-SG 2Å; C270-C273 PolarHBondContact SG-SG 3.18Å; C273-L448 VanDerWaalsContact SG-CB 3.52Å; C273-L448 PolarHBondContact SG-N 2.86Å; C273-R502 VanDerWaalsContact CB-CZ 3.49Å; C273-R502 PolarHBondContact O-NH1 2.59Å
274	D	92	Very high	90.2	Very high	101 Å²	101	71.7 Å²	71.7	54%	0.54	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.1	8.5	177.7	-56.3	-38.6	0	0	0	113.3	G272 L277 R502	G272-D274 VanDerWaalsContact C-N 3.28Å; D274-L277 HydrophobicContact CB-CD1 4.09Å; D274-R502 IonicContact OD1-CZ 3.77Å; D274-R502 VanDerWaalsContact OD1-CZ 3.27Å; D274-R502 IonicContact OD1-NH1 3.67Å; D274-R502 PolarHBondContact OD1-NH1 3.41Å; D274-R502 IonicContact OD1-NH2 3.66Å; D274-R502 PolarHBondContact OD1-NH2 3.03Å; D274-R502 IonicContact OD2-NH2 2.78Å
275	D	88.9	Confident	89.7	Confident	73 Å²	73	76.2 Å²	76.2	39%	0.39	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	132.6	177.2	-65.8	-12.3	0	0	0	110.7	K48 G272 L277	K48-D275 WeakPolarHBondContact CE-OD2 3.42Å; K48-D275 IonicContact NZ-OD2 2.82Å; K48-D275 PolarHBondContact NZ-OD2 3.39Å; G272-D275 WeakPolarHBondContact CA-OD2 3.43Å; G272-D275 WeakPolarHBondContact O-CB 3.49Å; G272-D275 PolarHBondContact O-N 2.98Å; D275-L277 PolarHBondContact O-N 3.44Å
276	D	90.1	Very high	89.3	Confident	126 Å²	126	82.3 Å²	82.3	67%	0.674	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	33.5	174.2	-165.1	37.5	0	0	0	113.6	L278 N403	D276-L278 PolarHBondContact O-N 3.02Å; D276-N403 VanDerWaalsContact O-CB 3.28Å; D276-N403 WeakPolarHBondContact O-CB 3.36Å; D276-N403 PolarHBondContact O-ND2 2.96Å; D276-N403 PolarHBondContact OD2-ND2 3Å
277	L	93.6	Very high	89.2	Confident	65 Å²	65	80.4 Å²	80.4	34%	0.34	44%	0.438	S	S	.	.			trans	-62.1	135.3	174.8	-65.6	-179.2	0	0	0	110.8	D274 D275 E401	D274-L277 HydrophobicContact CB-CD1 4.09Å; D275-L277 PolarHBondContact O-N 3.44Å; L277-E401 CarbonylContact C-O 3.56Å; L277-E401 VanDerWaalsContact CA-O 3.25Å; L277-E401 WeakPolarHBondContact CA-O 3.5Å; L277-E401 WeakPolarHBondContact CD2-O 3.47Å
278	L	93.1	Very high	89.3	Confident	40 Å²	40	75.3 Å²	75.3	21%	0.209	41%	0.414	C	S	.	.			trans	-82.6	118.8	172.2	-174.4	74.3	0	0	0	109	D276 L280 I400 E401 N403	D276-L278 PolarHBondContact O-N 3.02Å; L278-L280 HydrophobicContact CD2-CD2 3.85Å; L278-L280 HydrophobicContact CG-CD2 4.24Å; L278-L280 PolarHBondContact O-N 3.49Å; L278-I400 HydrophobicContact CD2-CG2 3.78Å; L278-E401 PolarHBondContact N-O 3.25Å; L278-E401 WeakPolarHBondContact O-CA 3.24Å; L278-E401 VanDerWaalsContact O-CG 3.32Å; L278-E401 WeakPolarHBondContact O-CG 3.23Å; L278-N403 HydrophobicContact CB-CB 4.23Å
279	L	89.7	Confident	89.5	Confident	132 Å²	132	70 Å²	70	69%	0.691	39%	0.39	S	S	*	.			trans	-81.5	115.7	177.4	-59.7	174.4	0	0	0	110.8	R283	L279-R283 PolarHBondContact O-NE 3.41Å
280	L	88.9	Confident	89.6	Confident	2 Å²	2	69.7 Å²	69.7	1%	0.01	38%	0.383	C	S	.	.			trans	-99.3	-25.4	174.9	-60	-178.6	0	0	0	113.6	L278 D282 R283 L288 P289 R397 I400 E401	L278-L280 HydrophobicContact CD2-CD2 3.85Å; L278-L280 HydrophobicContact CG-CD2 4.24Å; L278-L280 PolarHBondContact O-N 3.49Å; L280-D282 VanDerWaalsContact C-N 3.3Å; L280-D282 PolarHBondContact O-N 3.38Å; L280-D282 VanDerWaalsContact O-N 3.14Å; L280-R283 WeakPolarHBondContact O-CB 3.28Å; L280-R283 PolarHBondContact O-N 3.38Å; L280-L288 HydrophobicContact CB-CD2 4.06Å; L280-L288 HydrophobicContact CD2-CD2 4.01Å; L280-L288 HydrophobicContact CG-CD2 4.47Å; L280-P289 HydrophobicContact CD2-CG 4.34Å; L280-R397 HydrophobicContact CD1-CB 4.36Å; L280-I400 HydrophobicContact CD1-CB 4.22Å; L280-I400 HydrophobicContact CD1-CG2 3.81Å; L280-I400 HydrophobicContact CD2-CG2 4.15Å; L280-I400 HydrophobicContact CG-CG2 4.38Å; L280-E401 HydrophobicContact CB-CG 4.33Å; L280-E401 HydrophobicContact CD1-CG 3.71Å; L280-E401 HydrophobicContact CG-CG 3.75Å
281	G	77.3	Confident	89.8	Confident	66 Å²	66	68.2 Å²	68.2	68%	0.68	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.2	-168	0	0	0	0	0	116.8
282	D	75.6	Confident	90.2	Very high	159 Å²	159	67.2 Å²	67.2	85%	0.85	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	0.7	-178.6	-64.3	-39	0	0	0	113.7	L280	L280-D282 VanDerWaalsContact C-N 3.3Å; L280-D282 PolarHBondContact O-N 3.38Å; L280-D282 VanDerWaalsContact O-N 3.14Å
283	R	85.3	Confident	90.7	Very high	111 Å²	111	66.6 Å²	66.6	42%	0.419	35%	0.35	S	S	.	.	S	Bend	trans	-86.1	143.5	-175.6	-62.2	-172.7	-177.3	-142.4	-1.1	111.5	L279 L280 D287 L288	L279-R283 PolarHBondContact O-NE 3.41Å; L280-R283 WeakPolarHBondContact O-CB 3.28Å; L280-R283 PolarHBondContact O-N 3.38Å; R283-D287 HydrophobicContact CB-CB 4.34Å; R283-D287 PolarHBondContact NH1-O 2.8Å; R283-L288 HydrophobicContact CB-CD2 3.91Å
284	Q	87	Confident	91.1	Very high	130 Å²	130	66.6 Å²	66.6	61%	0.607	35%	0.35	S	S	*	.			trans	-65.9	154	165.5	-62.9	-65.1	-37.1	0	0	109.7	E286 D287 L288	Q284-E286 WeakPolarHBondContact CB-OE2 3.37Å; Q284-E286 PolarHBondContact O-N 3.09Å; Q284-D287 PolarHBondContact O-N 3.36Å; Q284-L288 PolarHBondContact O-N 3.47Å
285	E	87.9	Confident	91.4	Very high	110 Å²	110	61.8 Å²	61.8	51%	0.514	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-58.5	-33.2	-176.8	-68.5	-167.5	173.6	0	0	112.4	D287 L288 P317 R320	E285-D287 VanDerWaalsContact C-N 3.25Å; E285-D287 PolarHBondContact O-N 2.91Å; E285-L288 PolarHBondContact O-N 3.16Å; E285-P317 HydrophobicContact CB-CB 4.18Å; E285-P317 HydrophobicContact CB-CG 3.8Å; E285-P317 HydrophobicContact CG-CB 4.39Å; E285-P317 HydrophobicContact CG-CG 3.69Å; E285-R320 VanDerWaalsContact O-CG 3.28Å; E285-R320 WeakPolarHBondContact O-CG 3.4Å
286	E	88.3	Confident	91.9	Very high	128 Å²	128	58.3 Å²	58.3	60%	0.598	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-68.5	-25.1	179.2	-58.7	77.3	-166.1	0	0	113.1	Q284 R320	Q284-E286 WeakPolarHBondContact CB-OE2 3.37Å; Q284-E286 PolarHBondContact O-N 3.09Å; E286-R320 PolarHBondContact O-NH1 3.42Å
287	D	90.8	Very high	92.3	Very high	100 Å²	100	52.3 Å²	52.3	54%	0.535	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-93	-4	-177.7	-65.4	-34.8	0	0	0	113.1	R283 Q284 E285	R283-D287 HydrophobicContact CB-CB 4.34Å; R283-D287 PolarHBondContact NH1-O 2.8Å; Q284-D287 PolarHBondContact O-N 3.36Å; E285-D287 VanDerWaalsContact C-N 3.25Å; E285-D287 PolarHBondContact O-N 2.91Å
288	L	95.5	Very high	92.4	Very high	6 Å²	6	50.5 Å²	50.5	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	-69.5	148.3	173.4	-67.5	-176.4	0	0	0	110.8	L280 R283 Q284 E285 P317 R320	L280-L288 HydrophobicContact CB-CD2 4.06Å; L280-L288 HydrophobicContact CD2-CD2 4.01Å; L280-L288 HydrophobicContact CG-CD2 4.47Å; R283-L288 HydrophobicContact CB-CD2 3.91Å; Q284-L288 PolarHBondContact O-N 3.47Å; E285-L288 PolarHBondContact O-N 3.16Å; L288-P317 HydrophobicContact CD1-CG 3.7Å; L288-R320 HydrophobicContact CB-CG 4.45Å; L288-R320 PolarHBondContact O-NE 2.56Å; L288-R320 PolarHBondContact O-NH2 3.1Å
289	P	96.9	Very high	92.6	Very high	10 Å²	10	51.8 Å²	51.8	7%	0.065	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-52.4	143.3	178.8	-28.5	35.7	0	0	0	114.1	L280 Y316 D379 Y380 I400	L280-P289 HydrophobicContact CD2-CG 4.34Å; P289-Y316 WeakPolarHBondContact CD-OH 2.95Å; P289-Y316 PolarHBondContact O-OH 2.7Å; P289-D379 VanDerWaalsContact CA-OD2 3.3Å; P289-D379 WeakPolarHBondContact CA-OD2 3.31Å; P289-D379 HydrophobicContact CB-CB 3.64Å; P289-Y380 HydrophobicContact CB-CD2 3.62Å; P289-Y380 HydrophobicContact CB-CE2 3.64Å; P289-Y380 HydrophobicContact CG-CD2 4.32Å; P289-Y380 HydrophobicContact CG-CE2 3.85Å; P289-I400 HydrophobicContact CG-CG2 4.16Å
290	L	97.6	Very high	93	Very high	15 Å²	15	47.8 Å²	47.8	8%	0.079	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-80.1	124	172.1	-176.5	70.9	0	0	0	109.5	F292 R322 G377 D379 Y380	L290-F292 HydrophobicContact CD2-CE2 3.9Å; L290-F292 HydrophobicContact CG-CE2 4.31Å; L290-R322 HydrophobicContact CD1-CG 4.25Å; L290-G377 VanDerWaalsContact CB-O 3.29Å; L290-G377 WeakPolarHBondContact CB-O 3.34Å; L290-G377 WeakPolarHBondContact CD2-O 3.46Å; L290-D379 PolarHBondContact N-OD2 3.49Å; L290-D379 PolarHBondContact O-N 3.34Å; L290-Y380 PolarHBondContact O-N 3.26Å
291	V	98.4	Very high	93.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	128.1	-176.9	-175.3	0	0	0	0	110.8	Y316 R320 I321 R322 Y380 F382 L396 I400	V291-Y316 HydrophobicContact CG2-CE1 3.77Å; V291-R320 PolarHBondContact N-O 3.12Å; V291-I321 CarbonylContact O-C 3.34Å; V291-I321 WeakPolarHBondContact O-CA 3.49Å; V291-R322 PolarHBondContact O-N 3.34Å; V291-Y380 WeakPolarHBondContact CA-O 3.4Å; V291-F382 HydrophobicContact CG1-CB 3.76Å; V291-L396 HydrophobicContact CB-CD2 4.45Å; V291-L396 HydrophobicContact CG1-CD1 4.12Å; V291-L396 HydrophobicContact CG1-CD2 4.15Å; V291-L396 HydrophobicContact CG2-CD1 4.46Å; V291-L396 HydrophobicContact CG2-CD2 4.26Å; V291-I400 HydrophobicContact CG2-CD1 3.87Å
292	F	98.6	Very high	94.4	Very high	23 Å²	23	44.7 Å²	44.7	10%	0.101	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	102.4	167.8	-81.1	-121.3	0	0	0	107.8	L290 R322 A371 C372 N375 C378 Y380 F381 F382	L290-F292 HydrophobicContact CD2-CE2 3.9Å; L290-F292 HydrophobicContact CG-CE2 4.31Å; F292-R322 CarbonylContact C-O 3.55Å; F292-R322 WeakPolarHBondContact CA-O 3.49Å; F292-R322 HydrophobicContact CD1-CB 4.23Å; F292-R322 HydrophobicContact CD2-CB 4.16Å; F292-R322 HydrophobicContact CD2-CG 4.4Å; F292-R322 HydrophobicContact CE1-CB 4.28Å; F292-R322 HydrophobicContact CE2-CB 4.21Å; F292-R322 HydrophobicContact CE2-CG 4.05Å; F292-R322 HydrophobicContact CG-CB 4.16Å; F292-R322 HydrophobicContact CZ-CB 4.27Å; F292-R322 HydrophobicContact CZ-CG 4.18Å; F292-A371 HydrophobicContact CD1-CB 4.29Å; F292-A371 HydrophobicContact CE1-CB 4.14Å; F292-C372 HydrophobicContact CB-CB 4.1Å; F292-C372 HydrophobicContact CD1-CB 4.09Å; F292-C372 HydrophobicContact CD2-CB 4.47Å; F292-C372 HydrophobicContact CG-CB 3.96Å; F292-N375 HydrophobicContact CE2-CB 4.42Å; F292-N375 HydrophobicContact CZ-CB 3.87Å; F292-C378 HydrophobicContact CD2-CB 3.65Å; F292-C378 WeakPolarHBondContact CD2-SG 3.42Å; F292-C378 HydrophobicContact CE2-CB 3.57Å; F292-C378 HydrophobicContact CG-CB 4.47Å; F292-C378 HydrophobicContact CZ-CB 4.33Å; F292-Y380 PolarHBondContact N-O 2.99Å; F292-F381 HydrophobicContact CB-CD2 4.23Å; F292-F382 PolarHBondContact O-N 3.49Å
293	L	98.6	Very high	95.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	114.8	179.3	168.6	66.1	0	0	0	108.6	L311 I321 R322 L323 F324 F382 I384	L293-L311 HydrophobicContact CD2-CD2 4.34Å; L293-I321 HydrophobicContact CB-CG2 3.71Å; L293-I321 HydrophobicContact CD2-CG2 4.03Å; L293-R322 PolarHBondContact N-O 3.43Å; L293-L323 HydrophobicContact CD2-CD1 3.9Å; L293-L323 HydrophobicContact CG-CD1 4.03Å; L293-L323 CarbonylContact O-C 3.54Å; L293-L323 WeakPolarHBondContact O-CA 3.11Å; L293-F324 PolarHBondContact O-N 2.96Å; L293-F382 CarbonylContact C-O 3.56Å; L293-F382 WeakPolarHBondContact CA-O 3.24Å; L293-F382 HydrophobicContact CD1-CD1 3.43Å; L293-F382 VanDerWaalsContact CD1-CD1 3.43Å; L293-F382 HydrophobicContact CD1-CE1 3.99Å; L293-F382 HydrophobicContact CD1-CG 4.33Å; L293-I384 HydrophobicContact CD1-CG2 3.81Å
294	S	98.6	Very high	96.1	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	120.8	-177	-62.6	0	0	0	0	110.7	F324 F381 F382 S383 I384	S294-F324 CarbonylContact C-O 3.59Å; S294-F324 WeakPolarHBondContact CA-O 3.39Å; S294-F381 VanDerWaalsContact OG-CE2 3.32Å; S294-F381 WeakPolarHBondContact OG-CE2 3.29Å; S294-F382 PolarHBondContact N-O 2.88Å; S294-S383 WeakPolarHBondContact O-CA 3.45Å; S294-I384 PolarHBondContact O-N 3.15Å
295	V	98.8	Very high	96.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	131.4	-177.7	176.8	0	0	0	0	109.5	I297 F307 L311 L323 F324 I325 H326 I384	V295-I297 HydrophobicContact CG1-CD1 4.41Å; V295-I297 HydrophobicContact CG1-CG1 4.09Å; V295-F307 HydrophobicContact CG1-CE1 3.55Å; V295-F307 HydrophobicContact CG1-CZ 3.82Å; V295-L311 HydrophobicContact CG2-CD1 3.53Å; V295-L323 HydrophobicContact CG2-CD1 4.12Å; V295-F324 PolarHBondContact N-O 3.33Å; V295-I325 HydrophobicContact CB-CB 4.38Å; V295-I325 HydrophobicContact CB-CG1 4.04Å; V295-I325 HydrophobicContact CB-CG2 4.31Å; V295-I325 HydrophobicContact CG1-CG2 4.23Å; V295-I325 HydrophobicContact CG2-CG1 4.23Å; V295-H326 PolarHBondContact O-N 2.74Å; V295-I384 CarbonylContact C-O 3.54Å; V295-I384 VanDerWaalsContact CA-O 3.26Å; V295-I384 WeakPolarHBondContact CA-O 3.48Å; V295-I384 HydrophobicContact CB-CG2 4.42Å; V295-I384 HydrophobicContact CG2-CG2 3.8Å
296	F	98.7	Very high	97	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.3	178.7	-59.8	-79.8	0	0	0	110.9	E298 F324 H326 A364 R365 A368 S383 I384 D385 S386	F296-E298 HydrophobicContact CB-CG 4.16Å; F296-F324 HydrophobicContact CE1-CE1 4.07Å; F296-H326 HydrophobicContact CD1-CB 4.06Å; F296-H326 HydrophobicContact CE1-CB 4.42Å; F296-A364 HydrophobicContact CD1-CB 4.49Å; F296-A364 HydrophobicContact CE1-CB 4.27Å; F296-R365 HydrophobicContact CD1-CG 3.81Å; F296-R365 HydrophobicContact CD2-CG 4.43Å; F296-R365 HydrophobicContact CE1-CB 4.14Å; F296-R365 HydrophobicContact CE1-CG 3.52Å; F296-R365 HydrophobicContact CE2-CG 4.17Å; F296-R365 HydrophobicContact CG-CG 4.27Å; F296-R365 HydrophobicContact CZ-CB 4.18Å; F296-R365 HydrophobicContact CZ-CG 3.72Å; F296-A368 HydrophobicContact CE1-CB 4.29Å; F296-A368 HydrophobicContact CZ-CB 3.73Å; F296-S383 WeakPolarHBondContact CE2-OG 3.47Å; F296-I384 PolarHBondContact N-O 2.66Å; F296-D385 WeakPolarHBondContact O-CA 3.43Å; F296-S386 PolarHBondContact O-N 2.9Å
297	I	98.5	Very high	97.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	83.4	178.7	-50.6	165.8	0	0	0	107.5	V295 M304 I325 H326 N327 N328 V329 H332 I336	V295-I297 HydrophobicContact CG1-CD1 4.41Å; V295-I297 HydrophobicContact CG1-CG1 4.09Å; I297-M304 HydrophobicContact CB-CE 4.43Å; I297-M304 HydrophobicContact CD1-CE 4.02Å; I297-M304 HydrophobicContact CD1-SD 3.92Å; I297-M304 HydrophobicContact CG1-CE 4.01Å; I297-M304 HydrophobicContact CG1-SD 4.4Å; I297-M304 HydrophobicContact CG2-CE 3.58Å; I297-I325 HydrophobicContact CD1-CG2 4.06Å; I297-H326 PolarHBondContact N-O 3.42Å; I297-N327 HydrophobicContact CB-CB 4.42Å; I297-N327 HydrophobicContact CD1-CB 4.32Å; I297-N328 PolarHBondContact O-N 3.02Å; I297-V329 HydrophobicContact CG2-CB 4.44Å; I297-V329 HydrophobicContact CG2-CG2 4.23Å; I297-H332 HydrophobicContact CG2-CB 4.25Å; I297-I336 HydrophobicContact CD1-CD1 3.76Å; I297-I336 HydrophobicContact CD1-CG1 4.15Å
298	E	97.1	Very high	97.9	Very high	27 Å²	27	14 Å²	14	13%	0.126	7%	0.072	C	C	.	.			trans	-97.4	-13.1	-168.9	-54.5	-54.2	147	0	0	113.8	F296 H326 E361	F296-E298 HydrophobicContact CB-CG 4.16Å; E298-H326 IonicContact OE1-CE1 3.69Å; E298-H326 IonicContact OE1-CG 3.37Å; E298-H326 IonicContact OE1-ND1 3.31Å; E298-H326 PolarHBondContact OE1-ND1 3.17Å; E298-H326 IonicContact OE2-CE1 3.51Å; E298-H326 PolarHBondContact OE2-CE1 2.83Å; E298-H326 IonicContact OE2-ND1 3.76Å; E298-H326 PolarHBondContact OE2-ND1 3.38Å; E298-E361 HydrophobicContact CG-CB 4.26Å; E298-E361 HydrophobicContact CG-CG 3.78Å
299	H	96.4	Very high	97.9	Very high	67 Å²	67	17.1 Å²	17.1	31%	0.31	9%	0.087	S	C	.	.	S	Bend	trans	-149.5	158	178.2	54.4	-94	0	0	0	110.2	T301 S511	H299-T301 PolarHBondContact O-N 3.45Å; H299-T301 VanDerWaalsContact O-N 3.15Å; H299-T301 PolarHBondContact O-OG1 2.84Å; H299-S511 PolarHBondContact CD2-OG 3.28Å; H299-S511 VanDerWaalsContact CD2-OG 3.28Å; H299-S511 PolarHBondContact NE2-OG 2.73Å
300	P	98	Very high	97.9	Very high	48 Å²	48	18.2 Å²	18.2	31%	0.312	9%	0.09	S	C	.	.			trans	-56.7	120.7	176.6	-26.5	35.5	0	0	0	111.7	V329 F514 T516	P300-V329 HydrophobicContact CB-CG1 4.36Å; P300-V329 HydrophobicContact CG-CG1 3.91Å; P300-F514 HydrophobicContact CB-CD1 3.7Å; P300-F514 HydrophobicContact CB-CE1 4.23Å; P300-T516 HydrophobicContact CB-CG2 3.66Å; P300-T516 HydrophobicContact CG-CG2 4.23Å
301	T	98	Very high	97.7	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.087	C	C	.	.			trans	-123.5	131.5	-175.8	-49.4	0	0	0	0	111.1	H299 H332 S386 D387 V509	H299-T301 PolarHBondContact O-N 3.45Å; H299-T301 VanDerWaalsContact O-N 3.15Å; H299-T301 PolarHBondContact O-OG1 2.84Å; T301-H332 PolarHBondContact N-NE2 2.59Å; T301-H332 PolarHBondContact O-CE1 2.74Å; T301-H332 PolarHBondContact O-NE2 2.59Å; T301-S386 VanDerWaalsContact CG2-O 3.31Å; T301-S386 WeakPolarHBondContact CG2-O 3.49Å; T301-S386 WeakPolarHBondContact OG1-CB 3.45Å; T301-S386 PolarHBondContact OG1-OG 2.84Å; T301-D387 HydrophobicContact CG2-CB 4.12Å; T301-V509 HydrophobicContact CG2-CG1 4.5Å
302	P	98.2	Very high	97.6	Very high	2 Å²	2	18.1 Å²	18.1	1%	0.013	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	156.4	173.2	-21.8	30.6	0	0	0	113.5	M304 V509 F514 D522 Q525	P302-M304 VanDerWaalsContact C-N 3.33Å; P302-M304 PolarHBondContact O-N 2.83Å; P302-V509 HydrophobicContact CB-CG1 4.04Å; P302-V509 HydrophobicContact CG-CG1 4.01Å; P302-F514 HydrophobicContact CB-CD2 4.05Å; P302-F514 HydrophobicContact CB-CE2 3.96Å; P302-F514 HydrophobicContact CG-CB 4.07Å; P302-F514 HydrophobicContact CG-CD1 4.47Å; P302-F514 HydrophobicContact CG-CD2 3.52Å; P302-F514 HydrophobicContact CG-CE2 3.96Å; P302-F514 HydrophobicContact CG-CG 3.79Å; P302-D522 WeakPolarHBondContact CA-OD1 3.28Å; P302-Q525 HydrophobicContact CB-CG 4.1Å; P302-Q525 HydrophobicContact CG-CG 4.21Å
303	F	98.1	Very high	97.4	Very high	3 Å²	3	21.1 Å²	21.1	1%	0.013	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.2	37.1	169.7	-44.5	-72.5	0	0	0	114.9	D305 E306 F307 V509 D522 Q525 N529 D532 W533 K536 Y537	F303-D305 VanDerWaalsContact C-N 3.32Å; F303-D305 PolarHBondContact O-N 3.43Å; F303-E306 VanDerWaalsContact C-OE2 3.23Å; F303-E306 WeakPolarHBondContact CA-OE2 3.21Å; F303-E306 HydrophobicContact CB-CB 4.26Å; F303-E306 HydrophobicContact CB-CG 4.47Å; F303-E306 WeakPolarHBondContact CB-OE2 3.49Å; F303-E306 PolarHBondContact O-N 2.95Å; F303-F307 PolarHBondContact O-N 3Å; F303-V509 HydrophobicContact CD2-CG1 4.2Å; F303-D522 WeakPolarHBondContact CA-OD2 3.49Å; F303-D522 HydrophobicContact CD1-CB 4.23Å; F303-D522 HydrophobicContact CE1-CB 4.04Å; F303-D522 PolarHBondContact N-OD1 2.73Å; F303-D522 PolarHBondContact N-OD2 3.25Å; F303-Q525 HydrophobicContact CE2-CB 3.96Å; F303-Q525 HydrophobicContact CE2-CG 4.41Å; F303-Q525 HydrophobicContact CZ-CB 3.55Å; F303-Q525 HydrophobicContact CZ-CG 4.26Å; F303-N529 HydrophobicContact CD2-CB 4.49Å; F303-N529 HydrophobicContact CE2-CB 3.49Å; F303-N529 VanDerWaalsContact CE2-CB 3.49Å; F303-N529 HydrophobicContact CZ-CB 4.13Å; F303-D532 HydrophobicContact CD1-CB 4.23Å; F303-D532 HydrophobicContact CD2-CB 3.45Å; F303-D532 VanDerWaalsContact CD2-CB 3.45Å; F303-D532 HydrophobicContact CE1-CB 4.2Å; F303-D532 HydrophobicContact CE2-CB 3.46Å; F303-D532 VanDerWaalsContact CE2-CB 3.46Å; F303-D532 HydrophobicContact CG-CB 3.86Å; F303-D532 HydrophobicContact CZ-CB 3.82Å; F303-W533 HydrophobicContact CE1-CB 4.48Å; F303-W533 HydrophobicContact CZ-CB 4.09Å; F303-K536 HydrophobicContact CD1-CD 3.78Å; F303-K536 HydrophobicContact CE1-CD 4.1Å; F303-Y537 HydrophobicContact CE1-CE2 4.43Å
304	M	98.2	Very high	97.3	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-62.6	-35.4	-178	-176.9	59.4	64.1	0	0	113	I297 P302 E306 F307 L308 H335	I297-M304 HydrophobicContact CB-CE 4.43Å; I297-M304 HydrophobicContact CD1-CE 4.02Å; I297-M304 HydrophobicContact CD1-SD 3.92Å; I297-M304 HydrophobicContact CG1-CE 4.01Å; I297-M304 HydrophobicContact CG1-SD 4.4Å; I297-M304 HydrophobicContact CG2-CE 3.58Å; P302-M304 VanDerWaalsContact C-N 3.33Å; P302-M304 PolarHBondContact O-N 2.83Å; M304-E306 VanDerWaalsContact C-N 3.33Å; M304-E306 PolarHBondContact O-N 3.38Å; M304-F307 PolarHBondContact O-N 3.28Å; M304-F307 HydrophobicContact SD-CB 4.49Å; M304-F307 HydrophobicContact SD-CD1 3.77Å; M304-F307 HydrophobicContact SD-CG 4.47Å; M304-L308 HydrophobicContact CG-CD1 3.93Å; M304-L308 HydrophobicContact CG-CG 4.33Å; M304-L308 WeakPolarHBondContact O-CB 3.43Å; M304-L308 VanDerWaalsContact O-CG 3.27Å; M304-L308 WeakPolarHBondContact O-CG 3.5Å; M304-L308 PolarHBondContact O-N 3Å; M304-L308 HydrophobicContact SD-CD1 4.18Å; M304-L308 HydrophobicContact SD-CG 4.05Å; M304-H335 HydrophobicContact CB-CB 4.25Å; M304-H335 HydrophobicContact CG-CB 3.66Å
305	D	96.9	Very high	97.1	Very high	41 Å²	41	24.8 Å²	24.8	22%	0.219	13%	0.13	C	C	.	.	H	α-helix	trans	-62.9	-42.5	176.1	-70.5	-43.2	0	0	0	110.3	F303 L308 E309 H335 R338	F303-D305 VanDerWaalsContact C-N 3.32Å; F303-D305 PolarHBondContact O-N 3.43Å; D305-L308 PolarHBondContact O-N 3.13Å; D305-E309 WeakPolarHBondContact O-CB 3.44Å; D305-E309 PolarHBondContact O-N 3.3Å; D305-H335 IonicContact OD1-CD2 3.64Å; D305-H335 PolarHBondContact OD1-CD2 2.81Å; D305-H335 IonicContact OD2-CD2 3.56Å; D305-R338 IonicContact OD1-CZ 3.78Å; D305-R338 IonicContact OD1-NE 2.65Å; D305-R338 IonicContact OD1-NH2 2.83Å; D305-R338 PolarHBondContact OD1-NH2 3.35Å; D305-R338 VanDerWaalsContact OD1-NH2 3.13Å; D305-R338 IonicContact OD2-NH2 3.38Å; D305-R338 PolarHBondContact OD2-NH2 3.15Å
306	E	97.5	Very high	97	Very high	37 Å²	37	25.1 Å²	25.1	17%	0.173	13%	0.131	C	C	.	.	H	α-helix	trans	-67.5	-39.8	177.7	-64.7	70.3	-157.9	0	0	112	F303 M304 R310 K536	F303-E306 VanDerWaalsContact C-OE2 3.23Å; F303-E306 WeakPolarHBondContact CA-OE2 3.21Å; F303-E306 HydrophobicContact CB-CB 4.26Å; F303-E306 HydrophobicContact CB-CG 4.47Å; F303-E306 WeakPolarHBondContact CB-OE2 3.49Å; F303-E306 PolarHBondContact O-N 2.95Å; M304-E306 VanDerWaalsContact C-N 3.33Å; M304-E306 PolarHBondContact O-N 3.38Å; E306-R310 WeakPolarHBondContact O-CD 3.03Å; E306-R310 VanDerWaalsContact O-CG 3.24Å; E306-R310 WeakPolarHBondContact O-CG 3.5Å; E306-R310 PolarHBondContact O-N 2.95Å; E306-K536 WeakPolarHBondContact OE1-CD 3.35Å; E306-K536 WeakPolarHBondContact OE1-CE 3.47Å; E306-K536 WeakPolarHBondContact OE1-CG 2.92Å; E306-K536 IonicContact OE1-NZ 2.88Å; E306-K536 PolarHBondContact OE1-NZ 2.67Å; E306-K536 IonicContact OE2-NZ 3.97Å; E306-K536 PolarHBondContact OE2-NZ 3.12Å
307	F	98.4	Very high	96.8	Very high	8 Å²	8	25.5 Å²	25.5	4%	0.035	13%	0.134	C	C	.	.	H	α-helix	trans	-57.3	-53.1	172.8	172.2	-99.4	0	0	0	111.7	V295 F303 M304 E309 R310 L311 I384 D385 V388	V295-F307 HydrophobicContact CG1-CE1 3.55Å; V295-F307 HydrophobicContact CG1-CZ 3.82Å; F303-F307 PolarHBondContact O-N 3Å; M304-F307 PolarHBondContact O-N 3.28Å; M304-F307 HydrophobicContact SD-CB 4.49Å; M304-F307 HydrophobicContact SD-CD1 3.77Å; M304-F307 HydrophobicContact SD-CG 4.47Å; F307-E309 VanDerWaalsContact C-N 3.35Å; F307-E309 PolarHBondContact O-N 3.26Å; F307-R310 PolarHBondContact O-N 2.96Å; F307-L311 HydrophobicContact CD1-CD1 4.39Å; F307-L311 HydrophobicContact CE1-CD1 3.81Å; F307-L311 HydrophobicContact CZ-CD1 4.14Å; F307-L311 PolarHBondContact O-N 2.65Å; F307-I384 HydrophobicContact CE2-CD1 3.86Å; F307-I384 HydrophobicContact CE2-CG1 4.01Å; F307-I384 HydrophobicContact CZ-CD1 4.3Å; F307-I384 HydrophobicContact CZ-CG1 4.24Å; F307-I384 HydrophobicContact CZ-CG2 4.29Å; F307-D385 WeakPolarHBondContact CE2-O 3.31Å; F307-V388 WeakPolarHBondContact CD2-O 3.41Å
308	L	97.9	Very high	96.7	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.14	C	C	.	.	H	α-helix	trans	-64.1	-38.9	-178.8	-69.4	171.1	0	0	0	111.8	M304 D305 R310 L311 A312 I325 H335 I336 F339	M304-L308 HydrophobicContact CG-CD1 3.93Å; M304-L308 HydrophobicContact CG-CG 4.33Å; M304-L308 WeakPolarHBondContact O-CB 3.43Å; M304-L308 VanDerWaalsContact O-CG 3.27Å; M304-L308 WeakPolarHBondContact O-CG 3.5Å; M304-L308 PolarHBondContact O-N 3Å; M304-L308 HydrophobicContact SD-CD1 4.18Å; M304-L308 HydrophobicContact SD-CG 4.05Å; D305-L308 PolarHBondContact O-N 3.13Å; L308-R310 PolarHBondContact O-N 3.09Å; L308-L311 HydrophobicContact CD2-CD1 4.31Å; L308-L311 WeakPolarHBondContact O-CB 3.47Å; L308-L311 PolarHBondContact O-N 2.86Å; L308-A312 PolarHBondContact O-N 2.89Å; L308-I325 HydrophobicContact CD2-CD1 4.48Å; L308-H335 HydrophobicContact CD1-CB 4.23Å; L308-I336 HydrophobicContact CD1-CG1 4.45Å; L308-F339 HydrophobicContact CB-CB 4.2Å; L308-F339 HydrophobicContact CB-CD2 3.6Å; L308-F339 HydrophobicContact CB-CE2 4.16Å; L308-F339 HydrophobicContact CB-CG 3.99Å; L308-F339 HydrophobicContact CD1-CB 3.8Å; L308-F339 HydrophobicContact CD1-CG 4.24Å; L308-F339 HydrophobicContact CD2-CD1 4.4Å; L308-F339 HydrophobicContact CD2-CD2 4.49Å; L308-F339 HydrophobicContact CD2-CG 4.28Å; L308-F339 HydrophobicContact CG-CB 4.45Å; L308-F339 HydrophobicContact CG-CD2 4.46Å; L308-F339 HydrophobicContact CG-CG 4.4Å; L308-F339 VanDerWaalsContact O-CE2 3.25Å; L308-F339 WeakPolarHBondContact O-CE2 3.5Å
309	E	96.9	Very high	96.5	Very high	72 Å²	72	30.3 Å²	30.3	34%	0.336	16%	0.163	S	C	.	.	H	α-helix	trans	-66.4	-35.9	177.5	-168.1	59	-144.8	0	0	112.4	D305 F307 L311 A312 T313 H343	D305-E309 WeakPolarHBondContact O-CB 3.44Å; D305-E309 PolarHBondContact O-N 3.3Å; F307-E309 VanDerWaalsContact C-N 3.35Å; F307-E309 PolarHBondContact O-N 3.26Å; E309-L311 VanDerWaalsContact C-N 3.27Å; E309-L311 PolarHBondContact O-N 3.26Å; E309-A312 PolarHBondContact O-N 2.79Å; E309-A312 VanDerWaalsContact O-N 3.16Å; E309-T313 HydrophobicContact CG-CG2 4.41Å; E309-T313 WeakPolarHBondContact O-CG2 3.38Å; E309-T313 PolarHBondContact O-N 2.97Å; E309-T313 PolarHBondContact O-OG1 3.14Å; E309-H343 IonicContact OE1-CE1 3.58Å; E309-H343 IonicContact OE1-NE2 3.21Å; E309-H343 IonicContact OE2-CD2 3.8Å; E309-H343 IonicContact OE2-CE1 2.82Å; E309-H343 IonicContact OE2-NE2 3.79Å; E309-H343 PolarHBondContact OE2-NE2 3.44Å
310	R	96.5	Very high	96.5	Very high	33 Å²	33	30.1 Å²	30.1	13%	0.125	16%	0.159	C	C	.	.	H	α-helix	trans	-63.1	-33.3	173.1	-71.3	164.1	-173.3	151	-2	112.1	E306 F307 L308 T313 M314 L390 D532 E535	E306-R310 WeakPolarHBondContact O-CD 3.03Å; E306-R310 VanDerWaalsContact O-CG 3.24Å; E306-R310 WeakPolarHBondContact O-CG 3.5Å; E306-R310 PolarHBondContact O-N 2.95Å; F307-R310 PolarHBondContact O-N 2.96Å; L308-R310 PolarHBondContact O-N 3.09Å; R310-T313 WeakPolarHBondContact CA-OG1 3.29Å; R310-T313 PolarHBondContact O-N 2.68Å; R310-M314 WeakPolarHBondContact O-CB 2.88Å; R310-M314 PolarHBondContact O-N 2.84Å; R310-L390 WeakPolarHBondContact CD-O 3.38Å; R310-D532 IonicContact NH1-OD1 3.58Å; R310-D532 IonicContact NH2-OD1 2.88Å; R310-E535 IonicContact CZ-OE1 3.28Å; R310-E535 IonicContact NE-OE1 3.86Å; R310-E535 IonicContact NH2-OE1 3.13Å; R310-E535 PolarHBondContact NH2-OE1 3.11Å; R310-E535 IonicContact NH2-OE2 2.75Å; R310-E535 PolarHBondContact NH2-OE2 3.4Å
311	L	94.1	Very high	96.5	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.146	C	C	.	.	H	α-helix	trans	-65.9	-41.7	172.8	-59.4	177.1	0	0	0	111.8	L293 V295 F307 L308 E309 T313 M314 K318 I384	L293-L311 HydrophobicContact CD2-CD2 4.34Å; V295-L311 HydrophobicContact CG2-CD1 3.53Å; F307-L311 HydrophobicContact CD1-CD1 4.39Å; F307-L311 HydrophobicContact CE1-CD1 3.81Å; F307-L311 HydrophobicContact CZ-CD1 4.14Å; F307-L311 PolarHBondContact O-N 2.65Å; L308-L311 HydrophobicContact CD2-CD1 4.31Å; L308-L311 WeakPolarHBondContact O-CB 3.47Å; L308-L311 PolarHBondContact O-N 2.86Å; E309-L311 VanDerWaalsContact C-N 3.27Å; E309-L311 PolarHBondContact O-N 3.26Å; L311-T313 VanDerWaalsContact C-N 3.34Å; L311-M314 HydrophobicContact CD2-CE 4.27Å; L311-K318 PolarHBondContact O-NZ 3.06Å; L311-I384 HydrophobicContact CD2-CD1 4.19Å; L311-I384 HydrophobicContact CD2-CG2 4.28Å
312	A	94.9	Very high	96.4	Very high	10 Å²	10	31.7 Å²	31.7	8%	0.083	16%	0.159	C	C	.	.	H	α-helix	trans	-68	-33.1	177	0	0	0	0	0	112.6	L308 E309 K318 F339	L308-A312 PolarHBondContact O-N 2.89Å; E309-A312 PolarHBondContact O-N 2.79Å; E309-A312 VanDerWaalsContact O-N 3.16Å; A312-K318 WeakPolarHBondContact O-CE 2.94Å; A312-K318 PolarHBondContact O-NZ 3.3Å; A312-K318 VanDerWaalsContact O-NZ 3.14Å; A312-F339 HydrophobicContact CB-CE2 4.06Å
313	T	95.7	Very high	96.4	Very high	86 Å²	86	31.8 Å²	31.8	53%	0.528	16%	0.16	S	C	.	.	H	α-helix	trans	-97.3	-5.4	-176.3	55.4	0	0	0	0	114.5	E309 R310 L311 N315	E309-T313 HydrophobicContact CG-CG2 4.41Å; E309-T313 WeakPolarHBondContact O-CG2 3.38Å; E309-T313 PolarHBondContact O-N 2.97Å; E309-T313 PolarHBondContact O-OG1 3.14Å; R310-T313 WeakPolarHBondContact CA-OG1 3.29Å; R310-T313 PolarHBondContact O-N 2.68Å; L311-T313 VanDerWaalsContact C-N 3.34Å; T313-N315 PolarHBondContact O-N 2.92Å
314	M	95.4	Very high	96.5	Very high	10 Å²	10	32.4 Å²	32.4	5%	0.049	16%	0.163	C	C	.	.	S	Bend	trans	-50.1	135	173.7	-178	-175	-63.8	0	0	111.8	R310 L311 Y316 K318 F382 L390 L396	R310-M314 WeakPolarHBondContact O-CB 2.88Å; R310-M314 PolarHBondContact O-N 2.84Å; L311-M314 HydrophobicContact CD2-CE 4.27Å; M314-Y316 VanDerWaalsContact C-N 3.25Å; M314-Y316 PolarHBondContact O-N 2.98Å; M314-K318 PolarHBondContact O-NZ 2.8Å; M314-F382 HydrophobicContact CE-CE1 4.03Å; M314-L390 HydrophobicContact CE-CD1 4.09Å; M314-L396 HydrophobicContact SD-CB 3.72Å; M314-L396 HydrophobicContact SD-CD2 3.83Å; M314-L396 HydrophobicContact SD-CG 4.44Å
315	N	95.6	Very high	96.5	Very high	67 Å²	67	32.4 Å²	32.4	36%	0.358	16%	0.163	S	C	.	.	S	Bend	trans	-76.7	72.8	-177.2	-174.9	9.5	0	0	0	111.5	T313 P393 D394 R397	T313-N315 PolarHBondContact O-N 2.92Å; N315-P393 HydrophobicContact CB-CB 4.25Å; N315-P393 WeakPolarHBondContact CB-O 3.3Å; N315-P393 PolarHBondContact N-O 3.16Å; N315-D394 WeakPolarHBondContact CB-OD1 3.35Å; N315-D394 PolarHBondContact ND2-OD1 2.77Å; N315-R397 WeakPolarHBondContact O-CD 3.3Å; N315-R397 WeakPolarHBondContact O-CG 3.24Å; N315-R397 PolarHBondContact O-NE 3.09Å; N315-R397 PolarHBondContact OD1-NH2 2.77Å
316	Y	96.2	Very high	96.6	Very high	7 Å²	7	30.5 Å²	30.5	3%	0.027	15%	0.152	C	C	.	.	S	Bend	trans	-152.8	138.7	172.2	-155.1	-94.5	0	0	0	109.2	P289 V291 M314 K318 R320 I321 L396 R397 I400	P289-Y316 WeakPolarHBondContact CD-OH 2.95Å; P289-Y316 PolarHBondContact O-OH 2.7Å; V291-Y316 HydrophobicContact CG2-CE1 3.77Å; M314-Y316 VanDerWaalsContact C-N 3.25Å; M314-Y316 PolarHBondContact O-N 2.98Å; Y316-K318 WeakPolarHBondContact O-CD 3.12Å; Y316-K318 PolarHBondContact O-N 3.35Å; Y316-K318 VanDerWaalsContact O-N 3.14Å; Y316-R320 HydrophobicContact CD1-CB 4.35Å; Y316-R320 HydrophobicContact CE1-CB 3.84Å; Y316-I321 HydrophobicContact CD1-CD1 4.29Å; Y316-I321 HydrophobicContact CD1-CG1 3.97Å; Y316-L396 HydrophobicContact CD1-CD2 4.07Å; Y316-L396 HydrophobicContact CD2-CD2 3.99Å; Y316-L396 HydrophobicContact CD2-CG 4.11Å; Y316-L396 HydrophobicContact CE2-CD2 4.47Å; Y316-L396 HydrophobicContact CE2-CG 4.41Å; Y316-L396 HydrophobicContact CG-CD2 3.76Å; Y316-L396 HydrophobicContact CG-CG 4.38Å; Y316-R397 HydrophobicContact CD2-CG 3.83Å; Y316-R397 HydrophobicContact CE2-CG 4.29Å; Y316-I400 HydrophobicContact CE2-CD1 3.75Å
317	P	95.3	Very high	96.6	Very high	10 Å²	10	28.9 Å²	28.9	7%	0.065	15%	0.145	C	C	.	.			trans	-59.2	121.4	-177.8	-28	38.4	0	0	0	111.5	E285 L288 T319 R320	E285-P317 HydrophobicContact CB-CB 4.18Å; E285-P317 HydrophobicContact CB-CG 3.8Å; E285-P317 HydrophobicContact CG-CB 4.39Å; E285-P317 HydrophobicContact CG-CG 3.69Å; L288-P317 HydrophobicContact CD1-CG 3.7Å; P317-T319 PolarHBondContact O-N 2.94Å; P317-R320 HydrophobicContact CB-CB 4.44Å; P317-R320 HydrophobicContact CB-CG 4.15Å; P317-R320 WeakPolarHBondContact O-CA 3.31Å; P317-R320 WeakPolarHBondContact O-CB 3.41Å; P317-R320 PolarHBondContact O-N 3.03Å
318	K	94.6	Very high	96.6	Very high	28 Å²	28	31.6 Å²	31.6	12%	0.122	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-65.6	-25.1	-175.6	-52.4	-52.3	-178.5	-175.1	0	112.5	L311 A312 M314 Y316 R320 I321 L346 F347	L311-K318 PolarHBondContact O-NZ 3.06Å; A312-K318 WeakPolarHBondContact O-CE 2.94Å; A312-K318 PolarHBondContact O-NZ 3.3Å; A312-K318 VanDerWaalsContact O-NZ 3.14Å; M314-K318 PolarHBondContact O-NZ 2.8Å; Y316-K318 WeakPolarHBondContact O-CD 3.12Å; Y316-K318 PolarHBondContact O-N 3.35Å; Y316-K318 VanDerWaalsContact O-N 3.14Å; K318-R320 PolarHBondContact O-N 3.39Å; K318-I321 HydrophobicContact CD-CD1 3.95Å; K318-I321 PolarHBondContact O-N 2.92Å; K318-L346 HydrophobicContact CB-CB 4.19Å; K318-L346 WeakPolarHBondContact CB-O 3.4Å; K318-L346 HydrophobicContact CG-CB 4.25Å; K318-F347 HydrophobicContact CB-CE1 4.18Å; K318-F347 HydrophobicContact CD-CE1 3.91Å; K318-F347 HydrophobicContact CD-CZ 3.89Å; K318-F347 HydrophobicContact CG-CE1 4.36Å; K318-F347 HydrophobicContact CG-CZ 4.39Å
319	T	94	Very high	96.6	Very high	100 Å²	100	32 Å²	32	61%	0.613	16%	0.163	S	C	*	.	G	3₁₀ helix	trans	-61.1	-26.5	170.3	55	0	0	0	0	113	P317 R322	P317-T319 PolarHBondContact O-N 2.94Å; T319-R322 PolarHBondContact O-NH1 3.4Å
320	R	96.1	Very high	96.6	Very high	62 Å²	62	33.3 Å²	33.3	23%	0.234	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-96.5	11.5	175.8	-57.1	-58.4	-62.2	-177.2	-4.7	113.2	E285 E286 L288 V291 Y316 P317 K318	E285-R320 VanDerWaalsContact O-CG 3.28Å; E285-R320 WeakPolarHBondContact O-CG 3.4Å; E286-R320 PolarHBondContact O-NH1 3.42Å; L288-R320 HydrophobicContact CB-CG 4.45Å; L288-R320 PolarHBondContact O-NE 2.56Å; L288-R320 PolarHBondContact O-NH2 3.1Å; V291-R320 PolarHBondContact N-O 3.12Å; Y316-R320 HydrophobicContact CD1-CB 4.35Å; Y316-R320 HydrophobicContact CE1-CB 3.84Å; P317-R320 HydrophobicContact CB-CB 4.44Å; P317-R320 HydrophobicContact CB-CG 4.15Å; P317-R320 WeakPolarHBondContact O-CA 3.31Å; P317-R320 WeakPolarHBondContact O-CB 3.41Å; P317-R320 PolarHBondContact O-N 3.03Å; K318-R320 PolarHBondContact O-N 3.39Å
321	I	97.1	Very high	96.6	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	138	172.5	-64	180	0	0	0	109.5	V291 L293 Y316 K318 F347	V291-I321 CarbonylContact O-C 3.34Å; V291-I321 WeakPolarHBondContact O-CA 3.49Å; L293-I321 HydrophobicContact CB-CG2 3.71Å; L293-I321 HydrophobicContact CD2-CG2 4.03Å; Y316-I321 HydrophobicContact CD1-CD1 4.29Å; Y316-I321 HydrophobicContact CD1-CG1 3.97Å; K318-I321 HydrophobicContact CD-CD1 3.95Å; K318-I321 PolarHBondContact O-N 2.92Å; I321-F347 HydrophobicContact CB-CE1 4.36Å; I321-F347 HydrophobicContact CG2-CD1 4.34Å; I321-F347 HydrophobicContact CG2-CE1 4.05Å
322	R	97.6	Very high	96.8	Very high	77 Å²	77	34.7 Å²	34.7	29%	0.291	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.5	163.1	-65.8	-61.7	177.1	-80.4	0.9	107.6	L290 V291 F292 L293 T319 D349	L290-R322 HydrophobicContact CD1-CG 4.25Å; V291-R322 PolarHBondContact O-N 3.34Å; F292-R322 CarbonylContact C-O 3.55Å; F292-R322 WeakPolarHBondContact CA-O 3.49Å; F292-R322 HydrophobicContact CD1-CB 4.23Å; F292-R322 HydrophobicContact CD2-CB 4.16Å; F292-R322 HydrophobicContact CD2-CG 4.4Å; F292-R322 HydrophobicContact CE1-CB 4.28Å; F292-R322 HydrophobicContact CE2-CB 4.21Å; F292-R322 HydrophobicContact CE2-CG 4.05Å; F292-R322 HydrophobicContact CG-CB 4.16Å; F292-R322 HydrophobicContact CZ-CB 4.27Å; F292-R322 HydrophobicContact CZ-CG 4.18Å; L293-R322 PolarHBondContact N-O 3.43Å; T319-R322 PolarHBondContact O-NH1 3.4Å; R322-D349 IonicContact CZ-OD2 2.75Å; R322-D349 IonicContact NE-OD2 2.62Å; R322-D349 PolarHBondContact NE-OD2 3.3Å; R322-D349 IonicContact NH2-OD2 3.3Å
323	L	98.3	Very high	96.9	Very high	5 Å²	5	38 Å²	38	3%	0.026	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	129.1	-173	179.7	62.7	0	0	0	110.4	L293 V295 I325 F339 F347 A350 V351	L293-L323 HydrophobicContact CD2-CD1 3.9Å; L293-L323 HydrophobicContact CG-CD1 4.03Å; L293-L323 CarbonylContact O-C 3.54Å; L293-L323 WeakPolarHBondContact O-CA 3.11Å; V295-L323 HydrophobicContact CG2-CD1 4.12Å; L323-I325 HydrophobicContact CD1-CD1 4.39Å; L323-I325 HydrophobicContact CD1-CG1 3.97Å; L323-I325 HydrophobicContact CD2-CD1 4.06Å; L323-I325 HydrophobicContact CD2-CG1 4.32Å; L323-I325 HydrophobicContact CG-CD1 4.32Å; L323-I325 HydrophobicContact CG-CG1 4.03Å; L323-F339 HydrophobicContact CD2-CE1 4.14Å; L323-F339 HydrophobicContact CD2-CZ 4.38Å; L323-F347 HydrophobicContact CB-CB 4.28Å; L323-F347 HydrophobicContact CB-CD1 3.89Å; L323-F347 HydrophobicContact CB-CE1 4.48Å; L323-F347 HydrophobicContact CB-CG 4.18Å; L323-F347 HydrophobicContact CD2-CB 4.1Å; L323-F347 HydrophobicContact CD2-CD1 4.01Å; L323-F347 HydrophobicContact CD2-CD2 3.79Å; L323-F347 HydrophobicContact CD2-CE1 4.35Å; L323-F347 HydrophobicContact CD2-CE2 4.16Å; L323-F347 HydrophobicContact CD2-CG 3.7Å; L323-F347 HydrophobicContact CD2-CZ 4.41Å; L323-A350 HydrophobicContact CB-CB 4.06Å; L323-A350 HydrophobicContact CD2-CB 4.27Å; L323-A350 HydrophobicContact CG-CB 4.36Å; L323-A350 CarbonylContact O-C 3.16Å; L323-A350 VanDerWaalsContact O-CA 3.24Å; L323-A350 WeakPolarHBondContact O-CA 3.09Å; L323-V351 PolarHBondContact O-N 3.04Å
324	F	98.6	Very high	97	Very high	16 Å²	16	40 Å²	40	7%	0.07	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	129.9	167.9	174.1	-88	0	0	0	107.9	L293 S294 V295 F296 H326 V351 V353 M367 A368	L293-F324 PolarHBondContact O-N 2.96Å; S294-F324 CarbonylContact C-O 3.59Å; S294-F324 WeakPolarHBondContact CA-O 3.39Å; V295-F324 PolarHBondContact N-O 3.33Å; F296-F324 HydrophobicContact CE1-CE1 4.07Å; F324-H326 HydrophobicContact CE1-CB 3.71Å; F324-H326 HydrophobicContact CZ-CB 4.14Å; F324-V351 CarbonylContact C-O 3.59Å; F324-V351 WeakPolarHBondContact CA-O 3.33Å; F324-V351 HydrophobicContact CD2-CB 3.88Å; F324-V351 HydrophobicContact CD2-CG1 3.76Å; F324-V351 HydrophobicContact CE2-CG1 3.97Å; F324-V353 HydrophobicContact CE2-CG2 3.74Å; F324-V353 HydrophobicContact CZ-CG2 3.95Å; F324-M367 HydrophobicContact CE2-CE 4.22Å; F324-M367 HydrophobicContact CE2-CG 4.42Å; F324-M367 HydrophobicContact CE2-SD 4.2Å; F324-M367 HydrophobicContact CZ-SD 4.45Å; F324-A368 HydrophobicContact CD1-CB 3.84Å; F324-A368 HydrophobicContact CE1-CB 3.85Å; F324-A368 HydrophobicContact CG-CB 4.35Å; F324-A368 HydrophobicContact CZ-CB 4.39Å
325	I	98.6	Very high	97.1	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.7	173.8	-56.3	-179.3	0	0	0	107.9	V295 I297 L308 L323 I336 F339 V351 L352 V353	V295-I325 HydrophobicContact CB-CB 4.38Å; V295-I325 HydrophobicContact CB-CG1 4.04Å; V295-I325 HydrophobicContact CB-CG2 4.31Å; V295-I325 HydrophobicContact CG1-CG2 4.23Å; V295-I325 HydrophobicContact CG2-CG1 4.23Å; I297-I325 HydrophobicContact CD1-CG2 4.06Å; L308-I325 HydrophobicContact CD2-CD1 4.48Å; L323-I325 HydrophobicContact CD1-CD1 4.39Å; L323-I325 HydrophobicContact CD1-CG1 3.97Å; L323-I325 HydrophobicContact CD2-CD1 4.06Å; L323-I325 HydrophobicContact CD2-CG1 4.32Å; L323-I325 HydrophobicContact CG-CD1 4.32Å; L323-I325 HydrophobicContact CG-CG1 4.03Å; I325-I336 HydrophobicContact CG2-CD1 4.34Å; I325-F339 HydrophobicContact CD1-CD1 4.44Å; I325-F339 HydrophobicContact CD1-CE1 4.09Å; I325-V351 PolarHBondContact N-O 3.32Å; I325-L352 HydrophobicContact CB-CD2 3.71Å; I325-L352 HydrophobicContact CD1-CD2 3.75Å; I325-L352 HydrophobicContact CG1-CD2 3.87Å; I325-L352 WeakPolarHBondContact O-CA 3.26Å; I325-V353 PolarHBondContact O-N 3.21Å
326	H	98.7	Very high	97.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.6	165.4	-179.8	-110.1	0	0	0	109.4	V295 F296 I297 E298 F324 V353 L359 A364	V295-H326 PolarHBondContact O-N 2.74Å; F296-H326 HydrophobicContact CD1-CB 4.06Å; F296-H326 HydrophobicContact CE1-CB 4.42Å; I297-H326 PolarHBondContact N-O 3.42Å; E298-H326 IonicContact OE1-CE1 3.69Å; E298-H326 IonicContact OE1-CG 3.37Å; E298-H326 IonicContact OE1-ND1 3.31Å; E298-H326 PolarHBondContact OE1-ND1 3.17Å; E298-H326 IonicContact OE2-CE1 3.51Å; E298-H326 PolarHBondContact OE2-CE1 2.83Å; E298-H326 IonicContact OE2-ND1 3.76Å; E298-H326 PolarHBondContact OE2-ND1 3.38Å; F324-H326 HydrophobicContact CE1-CB 3.71Å; F324-H326 HydrophobicContact CZ-CB 4.14Å; H326-V353 WeakPolarHBondContact CA-O 3.14Å; H326-L359 PolarHBondContact CE1-O 2.88Å; H326-L359 PolarHBondContact NE2-O 3.39Å; H326-A364 HydrophobicContact CB-CB 4.06Å; H326-A364 VanDerWaalsContact CG-CB 3.42Å; H326-A364 WeakPolarHBondContact ND1-CB 3.37Å
327	N	98.5	Very high	97.2	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	118.1	174.7	176.2	41.3	0	0	0	110.1	I297 V329 I336 V353 G354 P355	I297-N327 HydrophobicContact CB-CB 4.42Å; I297-N327 HydrophobicContact CD1-CB 4.32Å; N327-V329 PolarHBondContact ND2-O 2.81Å; N327-V329 PolarHBondContact OD1-N 3.14Å; N327-V329 PolarHBondContact OD1-O 3.18Å; N327-V329 VanDerWaalsContact OD1-O 3.11Å; N327-I336 HydrophobicContact CB-CD1 3.33Å; N327-I336 VanDerWaalsContact CG-CD1 3.45Å; N327-V353 PolarHBondContact N-O 3.03Å; N327-G354 CarbonylContact O-C 3.59Å; N327-P355 WeakPolarHBondContact O-CA 3.49Å; N327-P355 WeakPolarHBondContact O-CD 3.4Å; N327-P355 WeakPolarHBondContact O-CG 3.43Å
328	N	97.5	Very high	97.3	Very high	64 Å²	64	46.3 Å²	46.3	34%	0.342	22%	0.221	S	C	.	.			trans	-101.5	7.3	175.2	-159.5	21	0	0	0	112.2	I297	I297-N328 PolarHBondContact O-N 3.02Å
329	V	97.7	Very high	97.4	Very high	12 Å²	12	45.4 Å²	45.4	7%	0.073	22%	0.217	C	C	.	.			trans	-119.7	109.1	-172.3	-176.4	0	0	0	0	110.8	I297 P300 N327 Y331 H332	I297-V329 HydrophobicContact CG2-CB 4.44Å; I297-V329 HydrophobicContact CG2-CG2 4.23Å; P300-V329 HydrophobicContact CB-CG1 4.36Å; P300-V329 HydrophobicContact CG-CG1 3.91Å; N327-V329 PolarHBondContact ND2-O 2.81Å; N327-V329 PolarHBondContact OD1-N 3.14Å; N327-V329 PolarHBondContact OD1-O 3.18Å; N327-V329 VanDerWaalsContact OD1-O 3.11Å; V329-Y331 PolarHBondContact O-N 2.78Å; V329-H332 HydrophobicContact CB-CB 4.39Å; V329-H332 PolarHBondContact O-N 2.62Å
330	V	97.4	Very high	97.5	Very high	99 Å²	99	44.2 Å²	44.2	60%	0.6	20%	0.201	S	C	*	.	G	3₁₀ helix	trans	-54.3	-39.3	178.8	178.8	0	0	0	0	112.2	H332 E333 P355	V330-H332 PolarHBondContact O-N 3.33Å; V330-H332 VanDerWaalsContact O-N 3.14Å; V330-E333 WeakPolarHBondContact O-CB 3.24Å; V330-E333 WeakPolarHBondContact O-CG 3.36Å; V330-E333 PolarHBondContact O-N 3.35Å; V330-E333 VanDerWaalsContact O-N 3.13Å; V330-P355 HydrophobicContact CG2-CB 3.99Å; V330-P355 HydrophobicContact CG2-CG 4.26Å
331	Y	97.1	Very high	97.5	Very high	63 Å²	63	46.7 Å²	46.7	25%	0.247	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-56.6	-30.4	176.6	173.5	-95.7	0	0	0	113.3	V329 H335 F514 T516 P521	V329-Y331 PolarHBondContact O-N 2.78Å; Y331-H335 AromaticContact CE1-CE1 3.58Å; Y331-H335 AromaticContact CZ-CE1 3.77Å; Y331-H335 PolarHBondContact O-ND1 2.83Å; Y331-F514 HydrophobicContact CD1-CE1 4.37Å; Y331-F514 AromaticContact CE1-CE1 3.88Å; Y331-F514 HydrophobicContact CE1-CE1 3.88Å; Y331-F514 HydrophobicContact CE1-CZ 4.07Å; Y331-T516 HydrophobicContact CD1-CG2 3.67Å; Y331-T516 HydrophobicContact CD2-CG2 3.94Å; Y331-T516 HydrophobicContact CE1-CG2 4.06Å; Y331-T516 HydrophobicContact CE2-CG2 4.29Å; Y331-T516 HydrophobicContact CG-CG2 3.63Å; Y331-P521 HydrophobicContact CE2-CG 4.19Å; Y331-P521 VanDerWaalsContact OH-CD 3.27Å; Y331-P521 WeakPolarHBondContact OH-CD 3.28Å; Y331-P521 WeakPolarHBondContact OH-CG 3.36Å
332	H	98.1	Very high	97.4	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-88.5	-5.4	-178.6	-69.9	-51.5	0	0	0	114.8	I297 T301 V329 V330 Q334 H335 I336	I297-H332 HydrophobicContact CG2-CB 4.25Å; T301-H332 PolarHBondContact N-NE2 2.59Å; T301-H332 PolarHBondContact O-CE1 2.74Å; T301-H332 PolarHBondContact O-NE2 2.59Å; V329-H332 HydrophobicContact CB-CB 4.39Å; V329-H332 PolarHBondContact O-N 2.62Å; V330-H332 PolarHBondContact O-N 3.33Å; V330-H332 VanDerWaalsContact O-N 3.14Å; H332-Q334 VanDerWaalsContact C-N 3.29Å; H332-Q334 PolarHBondContact O-N 3.43Å; H332-H335 AromaticContact ND1-CE1 3.96Å; H332-H335 AromaticContact ND1-ND1 3.55Å; H332-H335 WeakPolarHBondContact O-CB 3.43Å; H332-H335 PolarHBondContact O-N 3.29Å; H332-H335 VanDerWaalsContact O-N 3.07Å; H332-I336 WeakPolarHBondContact O-CG1 3.44Å; H332-I336 PolarHBondContact O-N 2.96Å
333	E	97.6	Very high	97.4	Very high	80 Å²	80	52.5 Å²	52.5	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-55.3	-43.9	177.1	-72	178.3	-179.6	0	0	112.2	V330 H335 I336 Q337 P355	V330-E333 WeakPolarHBondContact O-CB 3.24Å; V330-E333 WeakPolarHBondContact O-CG 3.36Å; V330-E333 PolarHBondContact O-N 3.35Å; V330-E333 VanDerWaalsContact O-N 3.13Å; E333-H335 VanDerWaalsContact C-N 3.32Å; E333-H335 PolarHBondContact O-N 2.99Å; E333-I336 PolarHBondContact O-N 2.95Å; E333-Q337 WeakPolarHBondContact O-CB 3.31Å; E333-Q337 PolarHBondContact O-N 2.88Å; E333-P355 HydrophobicContact CG-CG 4.1Å; E333-P355 WeakPolarHBondContact OE1-CD 3.28Å; E333-P355 WeakPolarHBondContact OE1-CG 3.48Å
334	Q	96.5	Very high	97.1	Very high	128 Å²	128	58.9 Å²	58.9	60%	0.598	26%	0.262	S	S	*	.	H	α-helix	trans	-65.4	-35	179.7	-63.8	-176	4.6	0	0	112.7	H332 R338	H332-Q334 VanDerWaalsContact C-N 3.29Å; H332-Q334 PolarHBondContact O-N 3.43Å; Q334-R338 WeakPolarHBondContact O-CG 3.37Å; Q334-R338 PolarHBondContact O-N 3.48Å; Q334-R338 VanDerWaalsContact O-N 3.08Å
335	H	98.1	Very high	97	Very high	13 Å²	13	64 Å²	64	6%	0.06	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-45.8	177.7	-60.3	83.4	0	0	0	110	M304 D305 L308 Y331 H332 E333 Q337 R338 F339	M304-H335 HydrophobicContact CB-CB 4.25Å; M304-H335 HydrophobicContact CG-CB 3.66Å; D305-H335 IonicContact OD1-CD2 3.64Å; D305-H335 PolarHBondContact OD1-CD2 2.81Å; D305-H335 IonicContact OD2-CD2 3.56Å; L308-H335 HydrophobicContact CD1-CB 4.23Å; Y331-H335 AromaticContact CE1-CE1 3.58Å; Y331-H335 AromaticContact CZ-CE1 3.77Å; Y331-H335 PolarHBondContact O-ND1 2.83Å; H332-H335 AromaticContact ND1-CE1 3.96Å; H332-H335 AromaticContact ND1-ND1 3.55Å; H332-H335 WeakPolarHBondContact O-CB 3.43Å; H332-H335 PolarHBondContact O-N 3.29Å; H332-H335 VanDerWaalsContact O-N 3.07Å; E333-H335 VanDerWaalsContact C-N 3.32Å; E333-H335 PolarHBondContact O-N 2.99Å; H335-Q337 PolarHBondContact O-N 2.76Å; H335-R338 PolarHBondContact CD2-NH2 3.26Å; H335-R338 PolarHBondContact NE2-NH2 2.8Å; H335-R338 PolarHBondContact O-N 3.2Å; H335-F339 WeakPolarHBondContact O-CB 3.26Å; H335-F339 PolarHBondContact O-N 3.3Å
336	I	97.5	Very high	96.7	Very high	17 Å²	17	67.2 Å²	67.2	9%	0.087	31%	0.311	C	S	.	.	H	α-helix	trans	-64.9	-41	177.9	-62.5	165.9	0	0	0	110.8	I297 L308 I325 N327 H332 E333 F339 W340 L352	I297-I336 HydrophobicContact CD1-CD1 3.76Å; I297-I336 HydrophobicContact CD1-CG1 4.15Å; L308-I336 HydrophobicContact CD1-CG1 4.45Å; I325-I336 HydrophobicContact CG2-CD1 4.34Å; N327-I336 HydrophobicContact CB-CD1 3.33Å; N327-I336 VanDerWaalsContact CG-CD1 3.45Å; H332-I336 WeakPolarHBondContact O-CG1 3.44Å; H332-I336 PolarHBondContact O-N 2.96Å; E333-I336 PolarHBondContact O-N 2.95Å; I336-F339 PolarHBondContact O-N 3.32Å; I336-W340 VanDerWaalsContact O-CB 3.31Å; I336-W340 WeakPolarHBondContact O-CB 3.33Å; I336-W340 PolarHBondContact O-N 3.18Å; I336-L352 HydrophobicContact CG2-CD1 4.46Å
337	Q	96.8	Very high	96.5	Very high	113 Å²	113	67.3 Å²	67.3	53%	0.528	31%	0.312	S	S	.	.	H	α-helix	trans	-60.5	-48.1	176.7	-175.2	-177.2	-11.6	0	0	111.3	E333 H335 F339 W340 E341	E333-Q337 WeakPolarHBondContact O-CB 3.31Å; E333-Q337 PolarHBondContact O-N 2.88Å; H335-Q337 PolarHBondContact O-N 2.76Å; Q337-F339 VanDerWaalsContact C-N 3.33Å; Q337-F339 PolarHBondContact O-N 2.69Å; Q337-W340 PolarHBondContact O-N 2.87Å; Q337-E341 WeakPolarHBondContact CG-OE1 3.42Å; Q337-E341 PolarHBondContact NE2-OE1 2.85Å; Q337-E341 WeakPolarHBondContact O-CG 3.29Å; Q337-E341 PolarHBondContact O-N 2.91Å
338	R	97.2	Very high	95.9	Very high	84 Å²	84	72.2 Å²	72.2	32%	0.317	34%	0.343	S	S	.	.	H	α-helix	trans	-60.9	-42.2	177	-72.3	-171.6	-59.4	-107.1	6.8	112	D305 Q334 H335 R342	D305-R338 IonicContact OD1-CZ 3.78Å; D305-R338 IonicContact OD1-NE 2.65Å; D305-R338 IonicContact OD1-NH2 2.83Å; D305-R338 PolarHBondContact OD1-NH2 3.35Å; D305-R338 VanDerWaalsContact OD1-NH2 3.13Å; D305-R338 IonicContact OD2-NH2 3.38Å; D305-R338 PolarHBondContact OD2-NH2 3.15Å; Q334-R338 WeakPolarHBondContact O-CG 3.37Å; Q334-R338 PolarHBondContact O-N 3.48Å; Q334-R338 VanDerWaalsContact O-N 3.08Å; H335-R338 PolarHBondContact CD2-NH2 3.26Å; H335-R338 PolarHBondContact NE2-NH2 2.8Å; H335-R338 PolarHBondContact O-N 3.2Å; R338-R342 WeakPolarHBondContact O-CG 3.46Å; R338-R342 PolarHBondContact O-N 2.88Å
339	F	97.2	Very high	95.6	Very high	9 Å²	9	73.8 Å²	73.8	4%	0.039	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-47	174.2	169.2	-97.5	0	0	0	111.4	L308 A312 L323 I325 H335 I336 Q337 E341 R342 H343 F347	L308-F339 HydrophobicContact CB-CB 4.2Å; L308-F339 HydrophobicContact CB-CD2 3.6Å; L308-F339 HydrophobicContact CB-CE2 4.16Å; L308-F339 HydrophobicContact CB-CG 3.99Å; L308-F339 HydrophobicContact CD1-CB 3.8Å; L308-F339 HydrophobicContact CD1-CG 4.24Å; L308-F339 HydrophobicContact CD2-CD1 4.4Å; L308-F339 HydrophobicContact CD2-CD2 4.49Å; L308-F339 HydrophobicContact CD2-CG 4.28Å; L308-F339 HydrophobicContact CG-CB 4.45Å; L308-F339 HydrophobicContact CG-CD2 4.46Å; L308-F339 HydrophobicContact CG-CG 4.4Å; L308-F339 VanDerWaalsContact O-CE2 3.25Å; L308-F339 WeakPolarHBondContact O-CE2 3.5Å; A312-F339 HydrophobicContact CB-CE2 4.06Å; L323-F339 HydrophobicContact CD2-CE1 4.14Å; L323-F339 HydrophobicContact CD2-CZ 4.38Å; I325-F339 HydrophobicContact CD1-CD1 4.44Å; I325-F339 HydrophobicContact CD1-CE1 4.09Å; H335-F339 WeakPolarHBondContact O-CB 3.26Å; H335-F339 PolarHBondContact O-N 3.3Å; I336-F339 PolarHBondContact O-N 3.32Å; Q337-F339 VanDerWaalsContact C-N 3.33Å; Q337-F339 PolarHBondContact O-N 2.69Å; F339-E341 PolarHBondContact O-N 3.06Å; F339-R342 PolarHBondContact O-N 3.06Å; F339-H343 HydrophobicContact CD2-CB 4.4Å; F339-H343 AromaticContact CD2-CD2 3.49Å; F339-H343 VanDerWaalsContact CD2-CD2 3.49Å; F339-H343 WeakPolarHBondContact CD2-CD2 3.22Å; F339-H343 HydrophobicContact CE2-CB 4.09Å; F339-H343 AromaticContact CE2-CD2 3.65Å; F339-H343 HydrophobicContact CZ-CB 4.24Å; F339-H343 WeakPolarHBondContact O-CB 3.29Å; F339-H343 PolarHBondContact O-N 3.45Å; F339-F347 HydrophobicContact CZ-CD2 4.38Å; F339-F347 AromaticContact CZ-CE2 3.93Å; F339-F347 HydrophobicContact CZ-CE2 3.93Å
340	W	95.8	Very high	95.4	Very high	74 Å²	74	74.2 Å²	74.2	28%	0.28	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-44.3	-179.2	-173.8	-118.3	0	0	0	112.3	I336 Q337 R342 H343 R344 A350 L352	I336-W340 VanDerWaalsContact O-CB 3.31Å; I336-W340 WeakPolarHBondContact O-CB 3.33Å; I336-W340 PolarHBondContact O-N 3.18Å; Q337-W340 PolarHBondContact O-N 2.87Å; W340-R342 PolarHBondContact O-N 2.99Å; W340-H343 PolarHBondContact O-N 2.8Å; W340-R344 HydrophobicContact CD2-CB 3.72Å; W340-R344 HydrophobicContact CE3-CB 3.85Å; W340-R344 HydrophobicContact CG-CB 4.37Å; W340-R344 HydrophobicContact CH2-CB 3.86Å; W340-R344 HydrophobicContact CZ2-CB 3.75Å; W340-R344 HydrophobicContact CZ3-CB 3.9Å; W340-R344 WeakPolarHBondContact O-CB 3.39Å; W340-R344 WeakPolarHBondContact O-CG 3.48Å; W340-R344 PolarHBondContact O-N 2.89Å; W340-A350 HydrophobicContact CH2-CB 3.71Å; W340-A350 HydrophobicContact CZ3-CB 3.49Å; W340-A350 VanDerWaalsContact CZ3-CB 3.49Å; W340-L352 HydrophobicContact CD2-CD1 3.86Å; W340-L352 HydrophobicContact CE3-CD1 4.03Å; W340-L352 HydrophobicContact CG-CD1 4.1Å
341	E	95.6	Very high	95.4	Very high	114 Å²	114	72.7 Å²	72.7	53%	0.533	35%	0.348	S	S	.	.	H	α-helix	trans	-58.4	-37.3	177.2	-74.7	172.7	-174.7	0	0	112.5	Q337 F339	Q337-E341 WeakPolarHBondContact CG-OE1 3.42Å; Q337-E341 PolarHBondContact NE2-OE1 2.85Å; Q337-E341 WeakPolarHBondContact O-CG 3.29Å; Q337-E341 PolarHBondContact O-N 2.91Å; F339-E341 PolarHBondContact O-N 3.06Å
342	R	96	Very high	95.4	Very high	177 Å²	177	73 Å²	73	67%	0.668	35%	0.353	S	S	*	.	H	α-helix	trans	-79.8	-43.6	179.2	-67.8	176.9	-174.3	179.2	1.6	113.1	R338 F339 W340	R338-R342 WeakPolarHBondContact O-CG 3.46Å; R338-R342 PolarHBondContact O-N 2.88Å; F339-R342 PolarHBondContact O-N 3.06Å; W340-R342 PolarHBondContact O-N 2.99Å
343	H	95.8	Very high	95.4	Very high	28 Å²	28	73.7 Å²	73.7	13%	0.13	36%	0.357	C	S	.	.	H	α-helix	trans	-115	-0.6	-161.8	-64.2	-62.2	0	0	0	114.9	E309 F339 W340 V345 L346	E309-H343 IonicContact OE1-CE1 3.58Å; E309-H343 IonicContact OE1-NE2 3.21Å; E309-H343 IonicContact OE2-CD2 3.8Å; E309-H343 IonicContact OE2-CE1 2.82Å; E309-H343 IonicContact OE2-NE2 3.79Å; E309-H343 PolarHBondContact OE2-NE2 3.44Å; F339-H343 HydrophobicContact CD2-CB 4.4Å; F339-H343 AromaticContact CD2-CD2 3.49Å; F339-H343 VanDerWaalsContact CD2-CD2 3.49Å; F339-H343 WeakPolarHBondContact CD2-CD2 3.22Å; F339-H343 HydrophobicContact CE2-CB 4.09Å; F339-H343 AromaticContact CE2-CD2 3.65Å; F339-H343 HydrophobicContact CZ-CB 4.24Å; F339-H343 WeakPolarHBondContact O-CB 3.29Å; F339-H343 PolarHBondContact O-N 3.45Å; W340-H343 PolarHBondContact O-N 2.8Å; H343-V345 PolarHBondContact O-N 3.22Å; H343-L346 HydrophobicContact CB-CD1 4.18Å; H343-L346 VanDerWaalsContact O-CB 3.29Å; H343-L346 WeakPolarHBondContact O-CB 3.5Å; H343-L346 PolarHBondContact O-N 2.99Å
344	R	93.8	Very high	95.4	Very high	139 Å²	139	70.4 Å²	70.4	53%	0.525	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-51.9	-30.7	-179.4	63.5	-177.1	-171.5	-159.9	-0.9	114.9	W340 L346 F347	W340-R344 HydrophobicContact CD2-CB 3.72Å; W340-R344 HydrophobicContact CE3-CB 3.85Å; W340-R344 HydrophobicContact CG-CB 4.37Å; W340-R344 HydrophobicContact CH2-CB 3.86Å; W340-R344 HydrophobicContact CZ2-CB 3.75Å; W340-R344 HydrophobicContact CZ3-CB 3.9Å; W340-R344 WeakPolarHBondContact O-CB 3.39Å; W340-R344 WeakPolarHBondContact O-CG 3.48Å; W340-R344 PolarHBondContact O-N 2.89Å; R344-L346 PolarHBondContact O-N 3.15Å; R344-F347 CarbonylContact O-C 3.4Å; R344-F347 VanDerWaalsContact O-C 3.26Å; R344-F347 PolarHBondContact O-N 3.43Å; R344-F347 VanDerWaalsContact O-N 3.15Å
345	V	94.9	Very high	95.4	Very high	124 Å²	124	65.2 Å²	65.2	75%	0.752	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-67.1	-28.7	179.8	180	0	0	0	0	111.4	H343 F347	H343-V345 PolarHBondContact O-N 3.22Å; V345-F347 VanDerWaalsContact C-N 3.29Å
346	L	93.8	Very high	95.3	Very high	68 Å²	68	71.1 Å²	71.1	36%	0.356	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-72.6	-24.8	175.8	-57	178.3	0	0	0	112.1	K318 H343 R344	K318-L346 HydrophobicContact CB-CB 4.19Å; K318-L346 WeakPolarHBondContact CB-O 3.4Å; K318-L346 HydrophobicContact CG-CB 4.25Å; H343-L346 HydrophobicContact CB-CD1 4.18Å; H343-L346 VanDerWaalsContact O-CB 3.29Å; H343-L346 WeakPolarHBondContact O-CB 3.5Å; H343-L346 PolarHBondContact O-N 2.99Å; R344-L346 PolarHBondContact O-N 3.15Å
347	F	92.9	Very high	95.2	Very high	4 Å²	4	76.6 Å²	76.6	2%	0.018	38%	0.375	C	S	.	.			trans	-131.8	68.1	-173.3	-51.1	-75.8	0	0	0	111.7	K318 I321 L323 F339 R344 V345 D349 A350	K318-F347 HydrophobicContact CB-CE1 4.18Å; K318-F347 HydrophobicContact CD-CE1 3.91Å; K318-F347 HydrophobicContact CD-CZ 3.89Å; K318-F347 HydrophobicContact CG-CE1 4.36Å; K318-F347 HydrophobicContact CG-CZ 4.39Å; I321-F347 HydrophobicContact CB-CE1 4.36Å; I321-F347 HydrophobicContact CG2-CD1 4.34Å; I321-F347 HydrophobicContact CG2-CE1 4.05Å; L323-F347 HydrophobicContact CB-CB 4.28Å; L323-F347 HydrophobicContact CB-CD1 3.89Å; L323-F347 HydrophobicContact CB-CE1 4.48Å; L323-F347 HydrophobicContact CB-CG 4.18Å; L323-F347 HydrophobicContact CD2-CB 4.1Å; L323-F347 HydrophobicContact CD2-CD1 4.01Å; L323-F347 HydrophobicContact CD2-CD2 3.79Å; L323-F347 HydrophobicContact CD2-CE1 4.35Å; L323-F347 HydrophobicContact CD2-CE2 4.16Å; L323-F347 HydrophobicContact CD2-CG 3.7Å; L323-F347 HydrophobicContact CD2-CZ 4.41Å; F339-F347 HydrophobicContact CZ-CD2 4.38Å; F339-F347 AromaticContact CZ-CE2 3.93Å; F339-F347 HydrophobicContact CZ-CE2 3.93Å; R344-F347 CarbonylContact O-C 3.4Å; R344-F347 VanDerWaalsContact O-C 3.26Å; R344-F347 PolarHBondContact O-N 3.43Å; R344-F347 VanDerWaalsContact O-N 3.15Å; V345-F347 VanDerWaalsContact C-N 3.29Å; F347-D349 PolarHBondContact O-N 2.89Å; F347-A350 HydrophobicContact CB-CB 3.92Å; F347-A350 WeakPolarHBondContact O-CB 3.43Å; F347-A350 PolarHBondContact O-N 3.46Å; F347-A350 VanDerWaalsContact O-N 3.17Å
348	P	87.4	Confident	95	Very high	105 Å²	105	77.6 Å²	77.6	68%	0.682	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-29.1	-173.8	25.1	-34.9	0	0	0	113.8
349	D	89.8	Confident	95	Very high	98 Å²	98	75.3 Å²	75.3	52%	0.524	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	20.1	-179.1	-59.3	-36.1	0	0	0	112.6	R322 F347	R322-D349 IonicContact CZ-OD2 2.75Å; R322-D349 IonicContact NE-OD2 2.62Å; R322-D349 PolarHBondContact NE-OD2 3.3Å; R322-D349 IonicContact NH2-OD2 3.3Å; F347-D349 PolarHBondContact O-N 2.89Å
350	A	94.8	Very high	94.8	Very high	21 Å²	21	77.1 Å²	77.1	17%	0.174	39%	0.391	C	S	.	.			trans	-66	141.3	-177.5	0	0	0	0	0	111.9	L323 W340 F347	L323-A350 HydrophobicContact CB-CB 4.06Å; L323-A350 HydrophobicContact CD2-CB 4.27Å; L323-A350 HydrophobicContact CG-CB 4.36Å; L323-A350 CarbonylContact O-C 3.16Å; L323-A350 VanDerWaalsContact O-CA 3.24Å; L323-A350 WeakPolarHBondContact O-CA 3.09Å; W340-A350 HydrophobicContact CH2-CB 3.71Å; W340-A350 HydrophobicContact CZ3-CB 3.49Å; W340-A350 VanDerWaalsContact CZ3-CB 3.49Å; F347-A350 HydrophobicContact CB-CB 3.92Å; F347-A350 WeakPolarHBondContact O-CB 3.43Å; F347-A350 PolarHBondContact O-N 3.46Å; F347-A350 VanDerWaalsContact O-N 3.17Å
351	V	96.9	Very high	94.8	Very high	67 Å²	67	76 Å²	76	41%	0.406	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.3	173.6	178.5	0	0	0	0	108.3	L323 F324 I325 V353	L323-V351 PolarHBondContact O-N 3.04Å; F324-V351 CarbonylContact C-O 3.59Å; F324-V351 WeakPolarHBondContact CA-O 3.33Å; F324-V351 HydrophobicContact CD2-CB 3.88Å; F324-V351 HydrophobicContact CD2-CG1 3.76Å; F324-V351 HydrophobicContact CE2-CG1 3.97Å; I325-V351 PolarHBondContact N-O 3.32Å; V351-V353 HydrophobicContact CG1-CG2 4.22Å
352	L	97.1	Very high	94.8	Very high	68 Å²	68	73.4 Å²	73.4	36%	0.356	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	124.3	176.4	-53.1	179.4	0	0	0	108.3	I325 I336 W340	I325-L352 HydrophobicContact CB-CD2 3.71Å; I325-L352 HydrophobicContact CD1-CD2 3.75Å; I325-L352 HydrophobicContact CG1-CD2 3.87Å; I325-L352 WeakPolarHBondContact O-CA 3.26Å; I336-L352 HydrophobicContact CG2-CD1 4.46Å; W340-L352 HydrophobicContact CD2-CD1 3.86Å; W340-L352 HydrophobicContact CE3-CD1 4.03Å; W340-L352 HydrophobicContact CG-CD1 4.1Å
353	V	98	Very high	94.7	Very high	16 Å²	16	70.6 Å²	70.6	10%	0.097	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	110.6	175.2	-177.6	0	0	0	0	107.1	F324 I325 H326 N327 V351 E357 L359	F324-V353 HydrophobicContact CE2-CG2 3.74Å; F324-V353 HydrophobicContact CZ-CG2 3.95Å; I325-V353 PolarHBondContact O-N 3.21Å; H326-V353 WeakPolarHBondContact CA-O 3.14Å; N327-V353 PolarHBondContact N-O 3.03Å; V351-V353 HydrophobicContact CG1-CG2 4.22Å; V353-E357 HydrophobicContact CG1-CB 4.03Å; V353-E357 HydrophobicContact CG1-CG 4.06Å; V353-L359 HydrophobicContact CG1-CD2 4.16Å
354	G	97.3	Very high	94.8	Very high	12 Å²	12	69.2 Å²	69.2	12%	0.124	36%	0.363	C	S	.	.			trans	-91.7	174.9	-177.5	0	0	0	0	0	113.9	N327 E356 E357	N327-G354 CarbonylContact O-C 3.59Å; G354-E356 WeakPolarHBondContact CA-OE2 3.39Å; G354-E356 PolarHBondContact O-N 2.84Å; G354-E356 VanDerWaalsContact O-N 3.16Å; G354-E357 PolarHBondContact O-N 2.87Å
355	P	96.4	Very high	95	Very high	19 Å²	19	62.7 Å²	62.7	12%	0.123	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-62.2	-22.8	-177.6	-20.9	32.7	0	0	0	113.4	N327 V330 E333 E357 N358	N327-P355 WeakPolarHBondContact O-CA 3.49Å; N327-P355 WeakPolarHBondContact O-CD 3.4Å; N327-P355 WeakPolarHBondContact O-CG 3.43Å; V330-P355 HydrophobicContact CG2-CB 3.99Å; V330-P355 HydrophobicContact CG2-CG 4.26Å; E333-P355 HydrophobicContact CG-CG 4.1Å; E333-P355 WeakPolarHBondContact OE1-CD 3.28Å; E333-P355 WeakPolarHBondContact OE1-CG 3.48Å; P355-E357 PolarHBondContact O-N 2.81Å; P355-N358 PolarHBondContact O-N 3.11Å
356	E	95.8	Very high	95	Very high	136 Å²	136	58.3 Å²	58.3	64%	0.636	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-61.1	-26.7	178.4	68.6	-79.4	-173.2	0	0	113.7	G354 N358	G354-E356 WeakPolarHBondContact CA-OE2 3.39Å; G354-E356 PolarHBondContact O-N 2.84Å; G354-E356 VanDerWaalsContact O-N 3.16Å; E356-N358 PolarHBondContact O-N 3.47Å
357	E	95.1	Very high	95.2	Very high	132 Å²	132	59.4 Å²	59.4	62%	0.617	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-76.6	-14.3	177.9	-64.7	-62.8	148.5	0	0	112.2	V353 G354 P355 L359	V353-E357 HydrophobicContact CG1-CB 4.03Å; V353-E357 HydrophobicContact CG1-CG 4.06Å; G354-E357 PolarHBondContact O-N 2.87Å; P355-E357 PolarHBondContact O-N 2.81Å; E357-L359 PolarHBondContact O-N 3.3Å; E357-L359 VanDerWaalsContact O-N 3.17Å
358	N	94.2	Very high	95.4	Very high	134 Å²	134	59.2 Å²	59.2	72%	0.717	32%	0.316	S	S	*	.			trans	46.9	44.2	-179.4	-171.8	43.2	0	0	0	112.2	P355 E356 P360	P355-N358 PolarHBondContact O-N 3.11Å; E356-N358 PolarHBondContact O-N 3.47Å; N358-P360 WeakPolarHBondContact O-CD 3.32Å
359	L	95.6	Very high	95.8	Very high	37 Å²	37	54.4 Å²	54.4	19%	0.194	28%	0.284	C	S	.	.			trans	-86.5	119.3	-177.7	-172.4	66.4	0	0	0	109.3	H326 V353 E357 K363 A364 M367	H326-L359 PolarHBondContact CE1-O 2.88Å; H326-L359 PolarHBondContact NE2-O 3.39Å; V353-L359 HydrophobicContact CG1-CD2 4.16Å; E357-L359 PolarHBondContact O-N 3.3Å; E357-L359 VanDerWaalsContact O-N 3.17Å; L359-K363 HydrophobicContact CD1-CB 3.63Å; L359-K363 HydrophobicContact CD1-CD 4.29Å; L359-K363 HydrophobicContact CG-CB 4.13Å; L359-A364 HydrophobicContact CD2-CB 3.84Å; L359-A364 HydrophobicContact CG-CB 4.23Å; L359-M367 HydrophobicContact CD2-SD 4.32Å
360	P	94.5	Very high	96	Very high	47 Å²	47	53.1 Å²	53.1	31%	0.305	28%	0.275	S	S	.	.			trans	-61.4	147.9	174.5	-24.1	34.8	0	0	0	112.3	N358 E362 K363 A364	N358-P360 WeakPolarHBondContact O-CD 3.32Å; P360-E362 VanDerWaalsContact C-N 3.3Å; P360-E362 VanDerWaalsContact CB-CD 3.45Å; P360-E362 WeakPolarHBondContact CB-OE1 3.45Å; P360-E362 WeakPolarHBondContact CB-OE2 2.98Å; P360-E362 PolarHBondContact O-N 2.94Å; P360-K363 HydrophobicContact CG-CD 4.37Å; P360-K363 WeakPolarHBondContact O-CA 3.43Å; P360-K363 WeakPolarHBondContact O-CB 3.45Å; P360-K363 PolarHBondContact O-N 2.72Å; P360-A364 PolarHBondContact O-N 3.31Å
361	E	95.1	Very high	96.1	Very high	49 Å²	49	54.3 Å²	54.3	23%	0.229	29%	0.285	C	S	.	.	H	α-helix	trans	-49.9	-47.4	-178.8	178.3	-179.4	174.4	0	0	112.3	E298 K363 A364 R365	E298-E361 HydrophobicContact CG-CB 4.26Å; E298-E361 HydrophobicContact CG-CG 3.78Å; E361-K363 PolarHBondContact O-N 3.48Å; E361-A364 PolarHBondContact O-N 3.29Å; E361-A364 VanDerWaalsContact O-N 3.13Å; E361-R365 HydrophobicContact CG-CG 4.34Å; E361-R365 WeakPolarHBondContact O-CG 3.2Å; E361-R365 PolarHBondContact O-N 3.15Å; E361-R365 IonicContact OE1-CZ 2.57Å; E361-R365 IonicContact OE1-NE 3.88Å; E361-R365 PolarHBondContact OE1-NE 2.77Å; E361-R365 IonicContact OE1-NH2 3.33Å; E361-R365 PolarHBondContact OE1-NH2 3.16Å
362	E	94.9	Very high	96.1	Very high	61 Å²	61	51.1 Å²	51.1	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-61.9	-32.5	-178.3	69.2	-78.1	-178.8	0	0	112.4	P360 T366 F475 V476 P482	P360-E362 VanDerWaalsContact C-N 3.3Å; P360-E362 VanDerWaalsContact CB-CD 3.45Å; P360-E362 WeakPolarHBondContact CB-OE1 3.45Å; P360-E362 WeakPolarHBondContact CB-OE2 2.98Å; P360-E362 PolarHBondContact O-N 2.94Å; E362-T366 VanDerWaalsContact O-CB 3.31Å; E362-T366 WeakPolarHBondContact O-CB 3.43Å; E362-T366 PolarHBondContact O-N 2.85Å; E362-T366 VanDerWaalsContact O-N 3.12Å; E362-T366 PolarHBondContact O-OG1 3.25Å; E362-F475 HydrophobicContact CB-CB 4.3Å; E362-V476 HydrophobicContact CB-CG2 4.16Å; E362-V476 HydrophobicContact CG-CG2 4Å; E362-P482 HydrophobicContact CB-CG 4.16Å
363	K	95.4	Very high	96	Very high	117 Å²	117	49.6 Å²	49.6	51%	0.509	26%	0.256	S	S	.	.	H	α-helix	trans	-79.9	-36.3	176.6	-62.8	-169.1	-172	169	0	111.7	L359 P360 E361 T366 M367	L359-K363 HydrophobicContact CD1-CB 3.63Å; L359-K363 HydrophobicContact CD1-CD 4.29Å; L359-K363 HydrophobicContact CG-CB 4.13Å; P360-K363 HydrophobicContact CG-CD 4.37Å; P360-K363 WeakPolarHBondContact O-CA 3.43Å; P360-K363 WeakPolarHBondContact O-CB 3.45Å; P360-K363 PolarHBondContact O-N 2.72Å; E361-K363 PolarHBondContact O-N 3.48Å; K363-T366 PolarHBondContact O-N 3.27Å; K363-M367 WeakPolarHBondContact O-CB 3.25Å; K363-M367 PolarHBondContact O-N 3.36Å
364	A	97.2	Very high	95.8	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-48	173.9	0	0	0	0	0	111.5	F296 H326 L359 P360 E361 T366 M367 A368	F296-A364 HydrophobicContact CD1-CB 4.49Å; F296-A364 HydrophobicContact CE1-CB 4.27Å; H326-A364 HydrophobicContact CB-CB 4.06Å; H326-A364 VanDerWaalsContact CG-CB 3.42Å; H326-A364 WeakPolarHBondContact ND1-CB 3.37Å; L359-A364 HydrophobicContact CD2-CB 3.84Å; L359-A364 HydrophobicContact CG-CB 4.23Å; P360-A364 PolarHBondContact O-N 3.31Å; E361-A364 PolarHBondContact O-N 3.29Å; E361-A364 VanDerWaalsContact O-N 3.13Å; A364-T366 VanDerWaalsContact C-N 3.32Å; A364-T366 PolarHBondContact O-N 2.96Å; A364-M367 PolarHBondContact O-N 3.45Å; A364-A368 WeakPolarHBondContact O-CB 3.42Å; A364-A368 PolarHBondContact O-N 3.46Å
365	R	97.4	Very high	95.8	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-40.3	174.9	-67.1	-173.9	-174	-86.3	11.2	111.8	F296 E361 A368 I369 D385 F475	F296-R365 HydrophobicContact CD1-CG 3.81Å; F296-R365 HydrophobicContact CD2-CG 4.43Å; F296-R365 HydrophobicContact CE1-CB 4.14Å; F296-R365 HydrophobicContact CE1-CG 3.52Å; F296-R365 HydrophobicContact CE2-CG 4.17Å; F296-R365 HydrophobicContact CG-CG 4.27Å; F296-R365 HydrophobicContact CZ-CB 4.18Å; F296-R365 HydrophobicContact CZ-CG 3.72Å; E361-R365 HydrophobicContact CG-CG 4.34Å; E361-R365 WeakPolarHBondContact O-CG 3.2Å; E361-R365 PolarHBondContact O-N 3.15Å; E361-R365 IonicContact OE1-CZ 2.57Å; E361-R365 IonicContact OE1-NE 3.88Å; E361-R365 PolarHBondContact OE1-NE 2.77Å; E361-R365 IonicContact OE1-NH2 3.33Å; E361-R365 PolarHBondContact OE1-NH2 3.16Å; R365-A368 PolarHBondContact O-N 2.7Å; R365-I369 PolarHBondContact O-N 3.22Å; R365-D385 IonicContact CZ-OD1 2.72Å; R365-D385 IonicContact CZ-OD2 3Å; R365-D385 IonicContact NH1-OD1 3.42Å; R365-D385 PolarHBondContact NH1-OD1 3.24Å; R365-D385 IonicContact NH1-OD2 3.47Å; R365-D385 VanDerWaalsContact NH2-CG 3.28Å; R365-D385 IonicContact NH2-OD1 2.96Å; R365-D385 PolarHBondContact NH2-OD1 3.23Å; R365-D385 VanDerWaalsContact NH2-OD1 3.1Å; R365-D385 IonicContact NH2-OD2 2.88Å; R365-D385 PolarHBondContact NH2-OD2 3.33Å; R365-F475 HydrophobicContact CB-CB 4.4Å; R365-F475 HydrophobicContact CB-CD1 3.91Å; R365-F475 HydrophobicContact CB-CD2 3.66Å; R365-F475 HydrophobicContact CB-CE1 4.04Å; R365-F475 HydrophobicContact CB-CE2 3.79Å; R365-F475 HydrophobicContact CB-CG 3.72Å; R365-F475 HydrophobicContact CB-CZ 3.99Å
366	T	96.3	Very high	95.7	Very high	32 Å²	32	62.8 Å²	62.8	20%	0.196	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-46.7	174.1	-60.7	0	0	0	0	112	E362 K363 A364 A368 I369 E370	E362-T366 VanDerWaalsContact O-CB 3.31Å; E362-T366 WeakPolarHBondContact O-CB 3.43Å; E362-T366 PolarHBondContact O-N 2.85Å; E362-T366 VanDerWaalsContact O-N 3.12Å; E362-T366 PolarHBondContact O-OG1 3.25Å; K363-T366 PolarHBondContact O-N 3.27Å; A364-T366 VanDerWaalsContact C-N 3.32Å; A364-T366 PolarHBondContact O-N 2.96Å; T366-A368 VanDerWaalsContact C-N 3.32Å; T366-A368 PolarHBondContact O-N 2.87Å; T366-I369 WeakPolarHBondContact O-CG2 3.4Å; T366-I369 PolarHBondContact O-N 2.81Å; T366-E370 HydrophobicContact CG2-CG 4.27Å; T366-E370 VanDerWaalsContact O-CB 3.31Å; T366-E370 WeakPolarHBondContact O-CB 3.32Å; T366-E370 VanDerWaalsContact O-CG 3.3Å; T366-E370 WeakPolarHBondContact O-CG 3.43Å; T366-E370 PolarHBondContact O-N 2.9Å
367	M	96.3	Very high	95.7	Very high	90 Å²	90	57.9 Å²	57.9	44%	0.443	31%	0.308	S	S	.	.	H	α-helix	trans	-58.8	-44.4	177.6	176.9	178.1	177.7	0	0	111.7	F324 L359 K363 A364 A371	F324-M367 HydrophobicContact CE2-CE 4.22Å; F324-M367 HydrophobicContact CE2-CG 4.42Å; F324-M367 HydrophobicContact CE2-SD 4.2Å; F324-M367 HydrophobicContact CZ-SD 4.45Å; L359-M367 HydrophobicContact CD2-SD 4.32Å; K363-M367 WeakPolarHBondContact O-CB 3.25Å; K363-M367 PolarHBondContact O-N 3.36Å; A364-M367 PolarHBondContact O-N 3.45Å; M367-A371 PolarHBondContact O-N 3.41Å; M367-A371 VanDerWaalsContact O-N 3.16Å
368	A	97.3	Very high	95.8	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-64.4	-46.6	179.9	0	0	0	0	0	112.6	F296 F324 A364 R365 T366 A371 F381	F296-A368 HydrophobicContact CE1-CB 4.29Å; F296-A368 HydrophobicContact CZ-CB 3.73Å; F324-A368 HydrophobicContact CD1-CB 3.84Å; F324-A368 HydrophobicContact CE1-CB 3.85Å; F324-A368 HydrophobicContact CG-CB 4.35Å; F324-A368 HydrophobicContact CZ-CB 4.39Å; A364-A368 WeakPolarHBondContact O-CB 3.42Å; A364-A368 PolarHBondContact O-N 3.46Å; R365-A368 PolarHBondContact O-N 2.7Å; T366-A368 VanDerWaalsContact C-N 3.32Å; T366-A368 PolarHBondContact O-N 2.87Å; A368-A371 WeakPolarHBondContact O-CB 3.19Å; A368-A371 PolarHBondContact O-N 3.35Å; A368-F381 HydrophobicContact CB-CE2 4.05Å; A368-F381 HydrophobicContact CB-CZ 4.24Å
369	I	95.9	Very high	96	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.021	26%	0.26	C	S	.	.	H	α-helix	trans	-70.6	-36.3	-178.5	-152.9	154.3	0	0	0	111.6	R365 T366 A371 C372 Q373 F381 L465 L474 F475 F486	R365-I369 PolarHBondContact O-N 3.22Å; T366-I369 WeakPolarHBondContact O-CG2 3.4Å; T366-I369 PolarHBondContact O-N 2.81Å; I369-A371 VanDerWaalsContact C-N 3.27Å; I369-A371 PolarHBondContact O-N 3.09Å; I369-C372 PolarHBondContact O-N 3.25Å; I369-Q373 WeakPolarHBondContact O-CG 3.35Å; I369-Q373 PolarHBondContact O-N 3.44Å; I369-F381 HydrophobicContact CB-CE1 4.48Å; I369-F381 HydrophobicContact CB-CE2 4.3Å; I369-F381 HydrophobicContact CB-CZ 4.17Å; I369-F381 HydrophobicContact CD1-CD1 4.16Å; I369-F381 HydrophobicContact CD1-CE1 4Å; I369-F381 HydrophobicContact CG1-CD1 4.21Å; I369-F381 HydrophobicContact CG1-CE1 4.18Å; I369-F381 HydrophobicContact CG1-CE2 4.48Å; I369-F381 HydrophobicContact CG1-CG 4.38Å; I369-F381 HydrophobicContact CG1-CZ 4.32Å; I369-L465 HydrophobicContact CD1-CD2 3.73Å; I369-L465 HydrophobicContact CG1-CD1 3.9Å; I369-L465 HydrophobicContact CG1-CD2 3.77Å; I369-L474 HydrophobicContact CD1-CD1 3.5Å; I369-L474 HydrophobicContact CG1-CD1 4.2Å; I369-L474 HydrophobicContact CG2-CD1 4.29Å; I369-F475 HydrophobicContact CB-CE2 4.18Å; I369-F475 HydrophobicContact CD1-CE2 3.82Å; I369-F475 HydrophobicContact CD1-CZ 4.02Å; I369-F475 HydrophobicContact CG2-CE2 3.95Å; I369-F486 HydrophobicContact CD1-CE2 4.35Å
370	E	95.5	Very high	96.1	Very high	71 Å²	71	47 Å²	47	33%	0.332	25%	0.253	S	S	.	.	H	α-helix	trans	-64.2	-32.6	175.9	-79.7	-170.7	-174.5	0	0	112.2	T366 C372 Q373 K374	T366-E370 HydrophobicContact CG2-CG 4.27Å; T366-E370 VanDerWaalsContact O-CB 3.31Å; T366-E370 WeakPolarHBondContact O-CB 3.32Å; T366-E370 VanDerWaalsContact O-CG 3.3Å; T366-E370 WeakPolarHBondContact O-CG 3.43Å; T366-E370 PolarHBondContact O-N 2.9Å; E370-C372 VanDerWaalsContact C-N 3.34Å; E370-C372 PolarHBondContact O-N 2.99Å; E370-Q373 PolarHBondContact O-N 3.45Å; E370-K374 WeakPolarHBondContact O-CB 3.39Å; E370-K374 VanDerWaalsContact O-CG 3.26Å; E370-K374 WeakPolarHBondContact O-CG 3.35Å; E370-K374 PolarHBondContact O-N 3.06Å; E370-K374 IonicContact OE2-NZ 2.88Å; E370-K374 PolarHBondContact OE2-NZ 3.17Å
371	A	96.1	Very high	96.3	Very high	45 Å²	45	44.9 Å²	44.9	37%	0.372	24%	0.239	S	C	.	.	H	α-helix	trans	-61.5	-42.6	175.6	0	0	0	0	0	111.5	F292 M367 A368 I369 N375	F292-A371 HydrophobicContact CD1-CB 4.29Å; F292-A371 HydrophobicContact CE1-CB 4.14Å; M367-A371 PolarHBondContact O-N 3.41Å; M367-A371 VanDerWaalsContact O-N 3.16Å; A368-A371 WeakPolarHBondContact O-CB 3.19Å; A368-A371 PolarHBondContact O-N 3.35Å; I369-A371 VanDerWaalsContact C-N 3.27Å; I369-A371 PolarHBondContact O-N 3.09Å; A371-N375 WeakPolarHBondContact O-CB 3.48Å; A371-N375 PolarHBondContact O-N 3.27Å
372	C	96.6	Very high	96.5	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-70	-40.7	173.2	174.3	0	0	0	0	112.1	F292 I369 E370 K374 N375 C378 F381 L465	F292-C372 HydrophobicContact CB-CB 4.1Å; F292-C372 HydrophobicContact CD1-CB 4.09Å; F292-C372 HydrophobicContact CD2-CB 4.47Å; F292-C372 HydrophobicContact CG-CB 3.96Å; I369-C372 PolarHBondContact O-N 3.25Å; E370-C372 VanDerWaalsContact C-N 3.34Å; E370-C372 PolarHBondContact O-N 2.99Å; C372-K374 PolarHBondContact O-N 2.95Å; C372-N375 PolarHBondContact O-N 3.23Å; C372-N375 VanDerWaalsContact O-O 3.06Å; C372-C378 HydrophobicContact CB-CB 3.93Å; C372-C378 WeakPolarHBondContact CB-SG 3.28Å; C372-C378 WeakPolarHBondContact O-CB 3.45Å; C372-C378 WeakPolarHBondContact SG-CB 3.36Å; C372-C378 CovalentContact SG-SG 2.03Å; C372-C378 PolarHBondContact SG-SG 3.46Å; C372-F381 HydrophobicContact CB-CB 4.26Å; C372-F381 HydrophobicContact CB-CD2 4.12Å; C372-L465 HydrophobicContact CB-CD1 4.39Å
373	Q	94.9	Very high	96.7	Very high	36 Å²	36	39.6 Å²	39.6	17%	0.168	21%	0.214	C	C	.	.	H	α-helix	trans	-59.9	-44.3	177.6	-77.8	174.3	-20	0	0	112.4	I369 E370 N375 L465 R466 L469	I369-Q373 WeakPolarHBondContact O-CG 3.35Å; I369-Q373 PolarHBondContact O-N 3.44Å; E370-Q373 PolarHBondContact O-N 3.45Å; Q373-N375 VanDerWaalsContact C-N 3.27Å; Q373-N375 PolarHBondContact O-N 3.22Å; Q373-L465 HydrophobicContact CG-CB 3.7Å; Q373-L465 PolarHBondContact NE2-O 2.57Å; Q373-R466 WeakPolarHBondContact O-CD 3.25Å; Q373-R466 VanDerWaalsContact O-CG 3.26Å; Q373-R466 WeakPolarHBondContact O-CG 3.44Å; Q373-L469 PolarHBondContact NE2-O 3.21Å
374	K	94.9	Very high	96.9	Very high	152 Å²	152	34.1 Å²	34.1	66%	0.661	19%	0.19	S	C	*	.	H	α-helix	trans	-74.3	-16.7	-178.3	-69.2	168.4	-170.6	162.9	0	112.9	E370 C372 P376	E370-K374 WeakPolarHBondContact O-CB 3.39Å; E370-K374 VanDerWaalsContact O-CG 3.26Å; E370-K374 WeakPolarHBondContact O-CG 3.35Å; E370-K374 PolarHBondContact O-N 3.06Å; E370-K374 IonicContact OE2-NZ 2.88Å; E370-K374 PolarHBondContact OE2-NZ 3.17Å; C372-K374 PolarHBondContact O-N 2.95Å; K374-P376 WeakPolarHBondContact O-CD 3.43Å
375	N	95.8	Very high	96.9	Very high	63 Å²	63	34.7 Å²	34.7	34%	0.337	19%	0.193	S	C	.	.			trans	-98.4	110.1	178.9	-167.9	-35.9	0	0	0	111.2	F292 A371 C372 Q373 G377 C378 R466	F292-N375 HydrophobicContact CE2-CB 4.42Å; F292-N375 HydrophobicContact CZ-CB 3.87Å; A371-N375 WeakPolarHBondContact O-CB 3.48Å; A371-N375 PolarHBondContact O-N 3.27Å; C372-N375 PolarHBondContact O-N 3.23Å; C372-N375 VanDerWaalsContact O-O 3.06Å; Q373-N375 VanDerWaalsContact C-N 3.27Å; Q373-N375 PolarHBondContact O-N 3.22Å; N375-G377 PolarHBondContact O-N 3.37Å; N375-G377 VanDerWaalsContact O-N 3.17Å; N375-G377 WeakPolarHBondContact OD1-CA 3.4Å; N375-G377 PolarHBondContact OD1-N 3.35Å; N375-C378 HydrophobicContact CB-CB 4.32Å; N375-C378 WeakPolarHBondContact O-CB 2.94Å; N375-C378 PolarHBondContact O-N 2.68Å; N375-R466 PolarHBondContact O-NH1 3.05Å
376	P	94.9	Very high	97	Very high	109 Å²	109	34.8 Å²	34.8	71%	0.708	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-25.2	177.8	-23	34.4	0	0	0	113.9	K374 C378	K374-P376 WeakPolarHBondContact O-CD 3.43Å; P376-C378 VanDerWaalsContact C-N 3.33Å
377	G	95.8	Very high	97	Very high	34 Å²	34	33.7 Å²	33.7	35%	0.351	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-8	176.6	0	0	0	0	0	114.1	L290 N375 D379	L290-G377 VanDerWaalsContact CB-O 3.29Å; L290-G377 WeakPolarHBondContact CB-O 3.34Å; L290-G377 WeakPolarHBondContact CD2-O 3.46Å; N375-G377 PolarHBondContact O-N 3.37Å; N375-G377 VanDerWaalsContact O-N 3.17Å; N375-G377 WeakPolarHBondContact OD1-CA 3.4Å; N375-G377 PolarHBondContact OD1-N 3.35Å; G377-D379 PolarHBondContact O-N 3.28Å
378	C	97.4	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.167	C	C	.	.			trans	-70.4	111.1	173	-178	0	0	0	0	109.9	F292 C372 N375 P376 Y380 R466	F292-C378 HydrophobicContact CD2-CB 3.65Å; F292-C378 WeakPolarHBondContact CD2-SG 3.42Å; F292-C378 HydrophobicContact CE2-CB 3.57Å; F292-C378 HydrophobicContact CG-CB 4.47Å; F292-C378 HydrophobicContact CZ-CB 4.33Å; C372-C378 HydrophobicContact CB-CB 3.93Å; C372-C378 WeakPolarHBondContact CB-SG 3.28Å; C372-C378 WeakPolarHBondContact O-CB 3.45Å; C372-C378 WeakPolarHBondContact SG-CB 3.36Å; C372-C378 CovalentContact SG-SG 2.03Å; C372-C378 PolarHBondContact SG-SG 3.46Å; N375-C378 HydrophobicContact CB-CB 4.32Å; N375-C378 WeakPolarHBondContact O-CB 2.94Å; N375-C378 PolarHBondContact O-N 2.68Å; P376-C378 VanDerWaalsContact C-N 3.33Å; C378-Y380 PolarHBondContact SG-O 3.14Å; C378-R466 VanDerWaalsContact O-CZ 3.29Å; C378-R466 PolarHBondContact O-NH1 2.64Å; C378-R466 PolarHBondContact O-NH2 2.98Å
379	D	98.2	Very high	97.1	Very high	64 Å²	64	29.5 Å²	29.5	34%	0.342	17%	0.167	S	C	.	.			trans	-85.5	-37	176.9	-66.5	-56.1	0	0	0	111.4	P289 L290 G377 G462	P289-D379 VanDerWaalsContact CA-OD2 3.3Å; P289-D379 WeakPolarHBondContact CA-OD2 3.31Å; P289-D379 HydrophobicContact CB-CB 3.64Å; L290-D379 PolarHBondContact N-OD2 3.49Å; L290-D379 PolarHBondContact O-N 3.34Å; G377-D379 PolarHBondContact O-N 3.28Å; D379-G462 WeakPolarHBondContact O-CA 3.15Å; D379-G462 PolarHBondContact O-N 3.42Å
380	Y	98.6	Very high	97.2	Very high	11 Å²	11	30 Å²	30	4%	0.043	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.7	179.2	-62.9	-92.3	0	0	0	112.3	P289 L290 V291 F292 C378 I400 L459 V460 K461	P289-Y380 HydrophobicContact CB-CD2 3.62Å; P289-Y380 HydrophobicContact CB-CE2 3.64Å; P289-Y380 HydrophobicContact CG-CD2 4.32Å; P289-Y380 HydrophobicContact CG-CE2 3.85Å; L290-Y380 PolarHBondContact O-N 3.26Å; V291-Y380 WeakPolarHBondContact CA-O 3.4Å; F292-Y380 PolarHBondContact N-O 2.99Å; C378-Y380 PolarHBondContact SG-O 3.14Å; Y380-I400 HydrophobicContact CD1-CG1 4.37Å; Y380-I400 HydrophobicContact CD2-CD1 4.29Å; Y380-I400 HydrophobicContact CD2-CG1 4.13Å; Y380-I400 HydrophobicContact CE1-CG1 4.4Å; Y380-I400 HydrophobicContact CE2-CG1 4.22Å; Y380-I400 HydrophobicContact CE2-CG2 3.86Å; Y380-I400 HydrophobicContact CG-CG1 4.22Å; Y380-L459 HydrophobicContact CD1-CD1 4.19Å; Y380-L459 HydrophobicContact CD1-CD2 3.71Å; Y380-L459 HydrophobicContact CD1-CG 3.85Å; Y380-L459 HydrophobicContact CE1-CD2 4.14Å; Y380-L459 HydrophobicContact CG-CD1 4.25Å; Y380-L459 HydrophobicContact CG-CD2 4.38Å; Y380-L459 HydrophobicContact CG-CG 4.42Å; Y380-V460 WeakPolarHBondContact CA-O 3.28Å; Y380-K461 HydrophobicContact CD1-CB 4.42Å; Y380-K461 HydrophobicContact CD1-CG 4.37Å; Y380-K461 HydrophobicContact CE1-CB 4.3Å; Y380-K461 HydrophobicContact CE1-CG 3.95Å
381	F	98.7	Very high	97.3	Very high	1 Å²	1	29.2 Å²	29.2	0%	0.004	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	122.7	168.1	175.7	-100.7	0	0	0	108.6	F292 S294 A368 I369 C372 Y458 L459 V460 L465	F292-F381 HydrophobicContact CB-CD2 4.23Å; S294-F381 VanDerWaalsContact OG-CE2 3.32Å; S294-F381 WeakPolarHBondContact OG-CE2 3.29Å; A368-F381 HydrophobicContact CB-CE2 4.05Å; A368-F381 HydrophobicContact CB-CZ 4.24Å; I369-F381 HydrophobicContact CB-CE1 4.48Å; I369-F381 HydrophobicContact CB-CE2 4.3Å; I369-F381 HydrophobicContact CB-CZ 4.17Å; I369-F381 HydrophobicContact CD1-CD1 4.16Å; I369-F381 HydrophobicContact CD1-CE1 4Å; I369-F381 HydrophobicContact CG1-CD1 4.21Å; I369-F381 HydrophobicContact CG1-CE1 4.18Å; I369-F381 HydrophobicContact CG1-CE2 4.48Å; I369-F381 HydrophobicContact CG1-CG 4.38Å; I369-F381 HydrophobicContact CG1-CZ 4.32Å; C372-F381 HydrophobicContact CB-CB 4.26Å; C372-F381 HydrophobicContact CB-CD2 4.12Å; F381-Y458 HydrophobicContact CE1-CE2 4.33Å; F381-L459 CarbonylContact O-C 3.5Å; F381-L459 WeakPolarHBondContact O-CA 3.48Å; F381-V460 HydrophobicContact CB-CB 4.45Å; F381-V460 HydrophobicContact CD1-CG2 4.43Å; F381-V460 PolarHBondContact N-O 3.2Å; F381-V460 PolarHBondContact O-N 2.93Å; F381-L465 HydrophobicContact CB-CD1 3.67Å; F381-L465 HydrophobicContact CG-CD1 4.3Å
382	F	98.8	Very high	97.4	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	108.7	179.7	-172	-133.9	0	0	0	109.2	V291 F292 L293 S294 M314 L390 L396 L399 V457 Y458 L459	V291-F382 HydrophobicContact CG1-CB 3.76Å; F292-F382 PolarHBondContact O-N 3.49Å; L293-F382 CarbonylContact C-O 3.56Å; L293-F382 WeakPolarHBondContact CA-O 3.24Å; L293-F382 HydrophobicContact CD1-CD1 3.43Å; L293-F382 VanDerWaalsContact CD1-CD1 3.43Å; L293-F382 HydrophobicContact CD1-CE1 3.99Å; L293-F382 HydrophobicContact CD1-CG 4.33Å; S294-F382 PolarHBondContact N-O 2.88Å; M314-F382 HydrophobicContact CE-CE1 4.03Å; F382-L390 HydrophobicContact CE1-CD1 4.4Å; F382-L390 HydrophobicContact CZ-CD1 4.11Å; F382-L396 HydrophobicContact CB-CD1 4.22Å; F382-L396 HydrophobicContact CD1-CD1 3.92Å; F382-L396 HydrophobicContact CD2-CD1 4.28Å; F382-L396 HydrophobicContact CE1-CD1 4.41Å; F382-L396 HydrophobicContact CG-CD1 3.9Å; F382-L399 HydrophobicContact CE2-CD1 3.91Å; F382-V457 HydrophobicContact CE2-CG2 3.52Å; F382-V457 HydrophobicContact CZ-CG2 3.55Å; F382-Y458 WeakPolarHBondContact CA-O 3.34Å; F382-Y458 WeakPolarHBondContact CD2-O 3.32Å; F382-L459 HydrophobicContact CB-CD1 3.71Å; F382-L459 HydrophobicContact CD2-CB 4.06Å; F382-L459 HydrophobicContact CD2-CD1 3.88Å; F382-L459 HydrophobicContact CG-CD1 4.09Å
383	S	98.8	Very high	97.4	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	137	176.3	-169.4	0	0	0	0	109.5	S294 F296 V457 Y458	S294-S383 WeakPolarHBondContact O-CA 3.45Å; F296-S383 WeakPolarHBondContact CE2-OG 3.47Å; S383-V457 VanDerWaalsContact O-CA 3.29Å; S383-V457 WeakPolarHBondContact O-CA 2.73Å; S383-Y458 VanDerWaalsContact CB-CZ 3.44Å; S383-Y458 PolarHBondContact N-O 2.89Å; S383-Y458 PolarHBondContact O-N 2.93Å; S383-Y458 PolarHBondContact OG-OH 3.25Å
384	I	98.8	Very high	97.5	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	131.4	173.1	-170.2	172	0	0	0	110.9	L293 S294 V295 F296 F307 L311 V388 L390 Q456 V457	L293-I384 HydrophobicContact CD1-CG2 3.81Å; S294-I384 PolarHBondContact O-N 3.15Å; V295-I384 CarbonylContact C-O 3.54Å; V295-I384 VanDerWaalsContact CA-O 3.26Å; V295-I384 WeakPolarHBondContact CA-O 3.48Å; V295-I384 HydrophobicContact CB-CG2 4.42Å; V295-I384 HydrophobicContact CG2-CG2 3.8Å; F296-I384 PolarHBondContact N-O 2.66Å; F307-I384 HydrophobicContact CE2-CD1 3.86Å; F307-I384 HydrophobicContact CE2-CG1 4.01Å; F307-I384 HydrophobicContact CZ-CD1 4.3Å; F307-I384 HydrophobicContact CZ-CG1 4.24Å; F307-I384 HydrophobicContact CZ-CG2 4.29Å; L311-I384 HydrophobicContact CD2-CD1 4.19Å; L311-I384 HydrophobicContact CD2-CG2 4.28Å; I384-V388 HydrophobicContact CD1-CB 4.13Å; I384-V388 HydrophobicContact CD1-CG1 3.81Å; I384-V388 HydrophobicContact CG1-CB 3.86Å; I384-V388 HydrophobicContact CG1-CG1 3.96Å; I384-V388 HydrophobicContact CG1-CG2 4.19Å; I384-L390 HydrophobicContact CD1-CD1 3.67Å; I384-L390 HydrophobicContact CD1-CG 3.97Å; I384-Q456 CarbonylContact C-O 3.48Å; I384-Q456 WeakPolarHBondContact CA-O 3.47Å; I384-V457 HydrophobicContact CG1-CB 4.39Å; I384-V457 HydrophobicContact CG1-CG2 4.36Å
385	D	98.7	Very high	97.7	Very high	12 Å²	12	25.2 Å²	25.2	6%	0.064	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	156.6	177.3	-66.6	5.3	0	0	0	110.4	F296 F307 R365 D387 V388 Q456	F296-D385 WeakPolarHBondContact O-CA 3.43Å; F307-D385 WeakPolarHBondContact CE2-O 3.31Å; R365-D385 IonicContact CZ-OD1 2.72Å; R365-D385 IonicContact CZ-OD2 3Å; R365-D385 IonicContact NH1-OD1 3.42Å; R365-D385 PolarHBondContact NH1-OD1 3.24Å; R365-D385 IonicContact NH1-OD2 3.47Å; R365-D385 VanDerWaalsContact NH2-CG 3.28Å; R365-D385 IonicContact NH2-OD1 2.96Å; R365-D385 PolarHBondContact NH2-OD1 3.23Å; R365-D385 VanDerWaalsContact NH2-OD1 3.1Å; R365-D385 IonicContact NH2-OD2 2.88Å; R365-D385 PolarHBondContact NH2-OD2 3.33Å; D385-D387 PolarHBondContact O-N 2.88Å; D385-V388 WeakPolarHBondContact O-CB 3.29Å; D385-V388 WeakPolarHBondContact O-CG2 3.37Å; D385-V388 PolarHBondContact O-N 3.29Å; D385-Q456 HydrophobicContact CB-CB 4.37Å; D385-Q456 PolarHBondContact N-O 2Å
386	S	98	Very high	97.8	Very high	4 Å²	4	22.2 Å²	22.2	3%	0.028	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-23.1	-174.3	52.6	0	0	0	0	115	F296 T301 V388	F296-S386 PolarHBondContact O-N 2.9Å; T301-S386 VanDerWaalsContact CG2-O 3.31Å; T301-S386 WeakPolarHBondContact CG2-O 3.49Å; T301-S386 WeakPolarHBondContact OG1-CB 3.45Å; T301-S386 PolarHBondContact OG1-OG 2.84Å; S386-V388 PolarHBondContact O-N 2.74Å
387	D	97.1	Very high	97.9	Very high	10 Å²	10	19.8 Å²	19.8	5%	0.053	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	12.2	-179.9	70.4	-20	0	0	0	113.6	T301 D385 Q456 L508 V509	T301-D387 HydrophobicContact CG2-CB 4.12Å; D385-D387 PolarHBondContact O-N 2.88Å; D387-Q456 WeakPolarHBondContact OD1-CG 3.17Å; D387-L508 CarbonylContact O-C 3.45Å; D387-L508 WeakPolarHBondContact O-CA 3.27Å; D387-V509 PolarHBondContact O-N 3.15Å
388	V	98.4	Very high	98	Very high	2 Å²	2	19.4 Å²	19.4	1%	0.012	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	120.3	177.8	173.9	0	0	0	0	111.6	F307 I384 D385 S386 L390 L411 Q456 V457 L508	F307-V388 WeakPolarHBondContact CD2-O 3.41Å; I384-V388 HydrophobicContact CD1-CB 4.13Å; I384-V388 HydrophobicContact CD1-CG1 3.81Å; I384-V388 HydrophobicContact CG1-CB 3.86Å; I384-V388 HydrophobicContact CG1-CG1 3.96Å; I384-V388 HydrophobicContact CG1-CG2 4.19Å; D385-V388 WeakPolarHBondContact O-CB 3.29Å; D385-V388 WeakPolarHBondContact O-CG2 3.37Å; D385-V388 PolarHBondContact O-N 3.29Å; S386-V388 PolarHBondContact O-N 2.74Å; V388-L390 HydrophobicContact CG1-CD2 3.7Å; V388-L390 HydrophobicContact CG1-CG 3.68Å; V388-L411 HydrophobicContact CB-CD1 4.35Å; V388-L411 HydrophobicContact CG1-CD1 3.48Å; V388-L411 VanDerWaalsContact CG1-CD1 3.48Å; V388-L411 HydrophobicContact CG2-CD1 4.2Å; V388-Q456 HydrophobicContact CG2-CB 3.67Å; V388-V457 HydrophobicContact CG1-CB 4.34Å; V388-V457 HydrophobicContact CG1-CG1 4.26Å; V388-V457 HydrophobicContact CG2-CB 4.13Å; V388-V457 HydrophobicContact CG2-CG1 4.2Å; V388-L508 HydrophobicContact CG2-CD2 4.06Å
389	A	98.1	Very high	98.1	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	88.9	168.6	0	0	0	0	0	110.5	T391 G506 R507 V509	A389-T391 PolarHBondContact O-N 2.91Å; A389-T391 VanDerWaalsContact O-N 3.16Å; A389-G506 WeakPolarHBondContact O-CA 3.48Å; A389-R507 HydrophobicContact CB-CG 3.78Å; A389-R507 PolarHBondContact N-O 2.82Å; A389-R507 PolarHBondContact O-N 2.85Å; A389-V509 HydrophobicContact CB-CG2 4Å
390	L	97.7	Very high	98.1	Very high	14 Å²	14	16.4 Å²	16.4	7%	0.073	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	98.3	171.8	-66.6	-173.8	0	0	0	110.3	R310 M314 F382 I384 V388 T395 L411	R310-L390 WeakPolarHBondContact CD-O 3.38Å; M314-L390 HydrophobicContact CE-CD1 4.09Å; F382-L390 HydrophobicContact CE1-CD1 4.4Å; F382-L390 HydrophobicContact CZ-CD1 4.11Å; I384-L390 HydrophobicContact CD1-CD1 3.67Å; I384-L390 HydrophobicContact CD1-CG 3.97Å; V388-L390 HydrophobicContact CG1-CD2 3.7Å; V388-L390 HydrophobicContact CG1-CG 3.68Å; L390-T395 HydrophobicContact CD1-CG2 4.18Å; L390-T395 HydrophobicContact CD2-CG2 4.12Å; L390-L411 HydrophobicContact CD2-CD1 4.16Å; L390-L411 HydrophobicContact CD2-CD2 4.3Å
391	T	96.8	Very high	98	Very high	56 Å²	56	18.8 Å²	18.8	34%	0.344	10%	0.1	S	C	.	.			trans	-83.7	-20.5	176.6	51.9	0	0	0	0	113.2	A389 P393 F505 G506	A389-T391 PolarHBondContact O-N 2.91Å; A389-T391 VanDerWaalsContact O-N 3.16Å; T391-P393 WeakPolarHBondContact O-CD 3.24Å; T391-F505 PolarHBondContact N-O 3.45Å; T391-F505 VanDerWaalsContact N-O 3.14Å; T391-G506 WeakPolarHBondContact OG1-CA 3.45Å
392	N	98	Very high	97.9	Very high	29 Å²	29	19 Å²	19	16%	0.155	10%	0.101	C	C	.	.			trans	-90.1	110.6	175.9	-174.4	-20	0	0	0	110.2	D394 T395 E504 F505	N392-D394 PolarHBondContact O-N 3.2Å; N392-D394 WeakPolarHBondContact OD1-CB 3.41Å; N392-D394 PolarHBondContact OD1-N 2.73Å; N392-T395 WeakPolarHBondContact O-CB 3.39Å; N392-T395 PolarHBondContact O-N 2.79Å; N392-T395 PolarHBondContact O-OG1 2.91Å; N392-E504 VanDerWaalsContact CB-O 3.31Å; N392-E504 WeakPolarHBondContact CB-O 3.36Å; N392-E504 PolarHBondContact ND2-O 3.43Å; N392-F505 WeakPolarHBondContact CB-O 3.25Å; N392-F505 PolarHBondContact N-O 2.93Å
393	P	97.4	Very high	97.8	Very high	62 Å²	62	20.2 Å²	20.2	40%	0.403	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.1	-178.2	29.5	-35.9	0	0	0	113.1	N315 T391	N315-P393 HydrophobicContact CB-CB 4.25Å; N315-P393 WeakPolarHBondContact CB-O 3.3Å; N315-P393 PolarHBondContact N-O 3.16Å; T391-P393 WeakPolarHBondContact O-CD 3.24Å
394	D	97.5	Very high	97.7	Very high	58 Å²	58	21.8 Å²	21.8	31%	0.31	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-1.6	-179.2	-63.5	-48.7	0	0	0	113.6	N315 N392 L396 R397 I398	N315-D394 WeakPolarHBondContact CB-OD1 3.35Å; N315-D394 PolarHBondContact ND2-OD1 2.77Å; N392-D394 PolarHBondContact O-N 3.2Å; N392-D394 WeakPolarHBondContact OD1-CB 3.41Å; N392-D394 PolarHBondContact OD1-N 2.73Å; D394-L396 VanDerWaalsContact C-N 3.31Å; D394-L396 PolarHBondContact O-N 3.43Å; D394-L396 VanDerWaalsContact O-N 3.15Å; D394-R397 WeakPolarHBondContact O-CA 3.35Å; D394-R397 WeakPolarHBondContact O-CB 3.44Å; D394-R397 PolarHBondContact O-N 2.94Å; D394-I398 HydrophobicContact CB-CD1 3.96Å; D394-I398 HydrophobicContact CB-CG1 4.28Å; D394-I398 WeakPolarHBondContact O-CG1 3.37Å; D394-I398 PolarHBondContact O-N 2.88Å
395	T	98.4	Very high	97.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-46.5	-50.6	-175.6	-63.1	0	0	0	0	112.9	L390 N392 R397 I398 L399 P409 F505	L390-T395 HydrophobicContact CD1-CG2 4.18Å; L390-T395 HydrophobicContact CD2-CG2 4.12Å; N392-T395 WeakPolarHBondContact O-CB 3.39Å; N392-T395 PolarHBondContact O-N 2.79Å; N392-T395 PolarHBondContact O-OG1 2.91Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 3.39Å; T395-I398 PolarHBondContact O-N 3.26Å; T395-L399 HydrophobicContact CG2-CD1 3.81Å; T395-L399 HydrophobicContact CG2-CG 4.32Å; T395-L399 VanDerWaalsContact O-CG 3.24Å; T395-L399 WeakPolarHBondContact O-CG 3.36Å; T395-L399 PolarHBondContact O-N 2.89Å; T395-P409 HydrophobicContact CG2-CB 4.15Å; T395-P409 HydrophobicContact CG2-CG 4.01Å; T395-F505 HydrophobicContact CG2-CD1 3.82Å; T395-F505 HydrophobicContact CG2-CE1 4.46Å
396	L	98.3	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-63.8	-38.2	-178.3	178.6	58.1	0	0	0	112.5	V291 M314 Y316 F382 D394 I400 L459	V291-L396 HydrophobicContact CB-CD2 4.45Å; V291-L396 HydrophobicContact CG1-CD1 4.12Å; V291-L396 HydrophobicContact CG1-CD2 4.15Å; V291-L396 HydrophobicContact CG2-CD1 4.46Å; V291-L396 HydrophobicContact CG2-CD2 4.26Å; M314-L396 HydrophobicContact SD-CB 3.72Å; M314-L396 HydrophobicContact SD-CD2 3.83Å; M314-L396 HydrophobicContact SD-CG 4.44Å; Y316-L396 HydrophobicContact CD1-CD2 4.07Å; Y316-L396 HydrophobicContact CD2-CD2 3.99Å; Y316-L396 HydrophobicContact CD2-CG 4.11Å; Y316-L396 HydrophobicContact CE2-CD2 4.47Å; Y316-L396 HydrophobicContact CE2-CG 4.41Å; Y316-L396 HydrophobicContact CG-CD2 3.76Å; Y316-L396 HydrophobicContact CG-CG 4.38Å; F382-L396 HydrophobicContact CB-CD1 4.22Å; F382-L396 HydrophobicContact CD1-CD1 3.92Å; F382-L396 HydrophobicContact CD2-CD1 4.28Å; F382-L396 HydrophobicContact CE1-CD1 4.41Å; F382-L396 HydrophobicContact CG-CD1 3.9Å; D394-L396 VanDerWaalsContact C-N 3.31Å; D394-L396 PolarHBondContact O-N 3.43Å; D394-L396 VanDerWaalsContact O-N 3.15Å; L396-I400 HydrophobicContact CD1-CD1 3.9Å; L396-I400 HydrophobicContact CD1-CG1 4.28Å; L396-I400 HydrophobicContact CG-CD1 4.02Å; L396-I400 WeakPolarHBondContact O-CD1 3.36Å; L396-I400 VanDerWaalsContact O-CG1 3.26Å; L396-I400 WeakPolarHBondContact O-CG1 3.48Å; L396-I400 PolarHBondContact O-N 2.92Å; L396-L459 HydrophobicContact CD1-CD1 3.79Å
397	R	97.2	Very high	97.6	Very high	58 Å²	58	21.8 Å²	21.8	22%	0.219	12%	0.115	C	C	.	.	H	α-helix	trans	-64.1	-52.4	175.9	-67.8	-175.3	179.8	-138.4	5.2	110.1	L280 N315 Y316 D394 T395 L399 I400 E401	L280-R397 HydrophobicContact CD1-CB 4.36Å; N315-R397 WeakPolarHBondContact O-CD 3.3Å; N315-R397 WeakPolarHBondContact O-CG 3.24Å; N315-R397 PolarHBondContact O-NE 3.09Å; N315-R397 PolarHBondContact OD1-NH2 2.77Å; Y316-R397 HydrophobicContact CD2-CG 3.83Å; Y316-R397 HydrophobicContact CE2-CG 4.29Å; D394-R397 WeakPolarHBondContact O-CA 3.35Å; D394-R397 WeakPolarHBondContact O-CB 3.44Å; D394-R397 PolarHBondContact O-N 2.94Å; T395-R397 VanDerWaalsContact C-N 3.34Å; T395-R397 PolarHBondContact O-N 3.39Å; R397-L399 VanDerWaalsContact C-N 3.31Å; R397-L399 PolarHBondContact O-N 3.17Å; R397-I400 WeakPolarHBondContact O-CB 3.48Å; R397-I400 PolarHBondContact O-N 2.87Å; R397-E401 VanDerWaalsContact O-CG 3.3Å; R397-E401 WeakPolarHBondContact O-CG 3.32Å; R397-E401 PolarHBondContact O-N 3.18Å
398	I	97.6	Very high	97.7	Very high	25 Å²	25	21.3 Å²	21.3	13%	0.128	11%	0.112	C	C	.	.	H	α-helix	trans	-54.5	-47.8	-178.4	-63.5	164.7	0	0	0	110.6	D394 T395 I400 E401 E402 D503 F505	D394-I398 HydrophobicContact CB-CD1 3.96Å; D394-I398 HydrophobicContact CB-CG1 4.28Å; D394-I398 WeakPolarHBondContact O-CG1 3.37Å; D394-I398 PolarHBondContact O-N 2.88Å; T395-I398 PolarHBondContact O-N 3.26Å; I398-I400 VanDerWaalsContact C-N 3.34Å; I398-I400 PolarHBondContact O-N 3.29Å; I398-E401 PolarHBondContact O-N 3.29Å; I398-E402 PolarHBondContact O-N 2.88Å; I398-D503 HydrophobicContact CD1-CB 4.43Å; I398-F505 HydrophobicContact CB-CE1 4.12Å; I398-F505 HydrophobicContact CD1-CE1 4.06Å; I398-F505 HydrophobicContact CG2-CE1 3.79Å; I398-F505 HydrophobicContact CG2-CZ 3.96Å
399	L	98.4	Very high	97.7	Very high	1 Å²	1	21.2 Å²	21.2	1%	0.005	11%	0.112	C	C	.	.	H	α-helix	trans	-64.4	-35.9	179.9	-64.2	173.9	0	0	0	113.3	F382 T395 R397 I407 P409 L459	F382-L399 HydrophobicContact CE2-CD1 3.91Å; T395-L399 HydrophobicContact CG2-CD1 3.81Å; T395-L399 HydrophobicContact CG2-CG 4.32Å; T395-L399 VanDerWaalsContact O-CG 3.24Å; T395-L399 WeakPolarHBondContact O-CG 3.36Å; T395-L399 PolarHBondContact O-N 2.89Å; R397-L399 VanDerWaalsContact C-N 3.31Å; R397-L399 PolarHBondContact O-N 3.17Å; L399-I407 HydrophobicContact CB-CG2 4.19Å; L399-I407 HydrophobicContact CD2-CD1 3.75Å; L399-I407 HydrophobicContact CD2-CG1 3.88Å; L399-I407 HydrophobicContact CD2-CG2 4.29Å; L399-P409 HydrophobicContact CD1-CB 4.38Å; L399-P409 HydrophobicContact CD1-CG 3.98Å; L399-P409 HydrophobicContact CD2-CB 4.2Å; L399-L459 HydrophobicContact CB-CB 4.39Å; L399-L459 HydrophobicContact CB-CD2 3.79Å; L399-L459 HydrophobicContact CD1-CB 4.47Å
400	I	98.3	Very high	97.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-68.2	-43.5	174.6	-72.5	169.5	0	0	0	110.4	L278 L280 P289 V291 Y316 Y380 L396 R397 I398 E402 N403 L459	L278-I400 HydrophobicContact CD2-CG2 3.78Å; L280-I400 HydrophobicContact CD1-CB 4.22Å; L280-I400 HydrophobicContact CD1-CG2 3.81Å; L280-I400 HydrophobicContact CD2-CG2 4.15Å; L280-I400 HydrophobicContact CG-CG2 4.38Å; P289-I400 HydrophobicContact CG-CG2 4.16Å; V291-I400 HydrophobicContact CG2-CD1 3.87Å; Y316-I400 HydrophobicContact CE2-CD1 3.75Å; Y380-I400 HydrophobicContact CD1-CG1 4.37Å; Y380-I400 HydrophobicContact CD2-CD1 4.29Å; Y380-I400 HydrophobicContact CD2-CG1 4.13Å; Y380-I400 HydrophobicContact CE1-CG1 4.4Å; Y380-I400 HydrophobicContact CE2-CG1 4.22Å; Y380-I400 HydrophobicContact CE2-CG2 3.86Å; Y380-I400 HydrophobicContact CG-CG1 4.22Å; L396-I400 HydrophobicContact CD1-CD1 3.9Å; L396-I400 HydrophobicContact CD1-CG1 4.28Å; L396-I400 HydrophobicContact CG-CD1 4.02Å; L396-I400 WeakPolarHBondContact O-CD1 3.36Å; L396-I400 VanDerWaalsContact O-CG1 3.26Å; L396-I400 WeakPolarHBondContact O-CG1 3.48Å; L396-I400 PolarHBondContact O-N 2.92Å; R397-I400 WeakPolarHBondContact O-CB 3.48Å; R397-I400 PolarHBondContact O-N 2.87Å; I398-I400 VanDerWaalsContact C-N 3.34Å; I398-I400 PolarHBondContact O-N 3.29Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 2.87Å; I400-N403 PolarHBondContact O-N 3.49Å; I400-N403 VanDerWaalsContact O-N 3.07Å; I400-L459 HydrophobicContact CB-CD2 4.41Å; I400-L459 HydrophobicContact CG1-CD2 3.61Å
401	E	97.1	Very high	97.8	Very high	62 Å²	62	21.9 Å²	21.9	29%	0.29	12%	0.115	S	C	.	.	H	α-helix	trans	-62.1	-34.6	179.8	-69	-175.7	154.8	0	0	112	L277 L278 L280 R397 I398 N403	L277-E401 CarbonylContact C-O 3.56Å; L277-E401 VanDerWaalsContact CA-O 3.25Å; L277-E401 WeakPolarHBondContact CA-O 3.5Å; L277-E401 WeakPolarHBondContact CD2-O 3.47Å; L278-E401 PolarHBondContact N-O 3.25Å; L278-E401 WeakPolarHBondContact O-CA 3.24Å; L278-E401 VanDerWaalsContact O-CG 3.32Å; L278-E401 WeakPolarHBondContact O-CG 3.23Å; L280-E401 HydrophobicContact CB-CG 4.33Å; L280-E401 HydrophobicContact CD1-CG 3.71Å; L280-E401 HydrophobicContact CG-CG 3.75Å; R397-E401 VanDerWaalsContact O-CG 3.3Å; R397-E401 WeakPolarHBondContact O-CG 3.32Å; R397-E401 PolarHBondContact O-N 3.18Å; I398-E401 PolarHBondContact O-N 3.29Å; E401-N403 PolarHBondContact O-N 3.4Å; E401-N403 VanDerWaalsContact O-N 3.15Å
402	E	96.7	Very high	97.8	Very high	5 Å²	5	20.3 Å²	20.3	2%	0.023	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-12.9	175.4	-71.8	-164.8	-168.4	0	0	114.4	I398 I400 K404 I407 L448 S500 R502	I398-E402 PolarHBondContact O-N 2.88Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 2.87Å; E402-K404 VanDerWaalsContact C-N 3.34Å; E402-K404 WeakPolarHBondContact O-CE 3.44Å; E402-K404 WeakPolarHBondContact O-CG 3.22Å; E402-K404 PolarHBondContact O-N 2.91Å; E402-K404 PolarHBondContact O-NZ 2.89Å; E402-I407 HydrophobicContact CB-CD1 3.83Å; E402-I407 HydrophobicContact CG-CD1 4.31Å; E402-I407 WeakPolarHBondContact OE2-CD1 3.16Å; E402-L448 WeakPolarHBondContact OE2-CD1 3.23Å; E402-S500 WeakPolarHBondContact OE1-CB 3.38Å; E402-S500 PolarHBondContact OE1-OG 3.31Å; E402-R502 WeakPolarHBondContact OE1-CD 3.36Å
403	N	96.7	Very high	97.7	Very high	25 Å²	25	20.7 Å²	20.7	13%	0.134	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	44.7	167.8	-171.9	25.1	0	0	0	114.4	D276 L278 I400 E401 K461	D276-N403 VanDerWaalsContact O-CB 3.28Å; D276-N403 WeakPolarHBondContact O-CB 3.36Å; D276-N403 PolarHBondContact O-ND2 2.96Å; D276-N403 PolarHBondContact OD2-ND2 3Å; L278-N403 HydrophobicContact CB-CB 4.23Å; I400-N403 PolarHBondContact O-N 3.49Å; I400-N403 VanDerWaalsContact O-N 3.07Å; E401-N403 PolarHBondContact O-N 3.4Å; E401-N403 VanDerWaalsContact O-N 3.15Å; N403-K461 PolarHBondContact OD1-NZ 2.99Å
404	K	96.6	Very high	97.4	Very high	33 Å²	33	23 Å²	23	14%	0.143	11%	0.112	C	C	.	.			trans	-99	155.5	175.5	-56.5	-55.7	172.6	-114.3	0	112	E402 I407 L448 F498	E402-K404 VanDerWaalsContact C-N 3.34Å; E402-K404 WeakPolarHBondContact O-CE 3.44Å; E402-K404 WeakPolarHBondContact O-CG 3.22Å; E402-K404 PolarHBondContact O-N 2.91Å; E402-K404 PolarHBondContact O-NZ 2.89Å; K404-I407 HydrophobicContact CB-CB 4.11Å; K404-I407 HydrophobicContact CG-CD1 4.42Å; K404-L448 HydrophobicContact CD-CD2 3.87Å; K404-L448 HydrophobicContact CG-CD2 3.84Å; K404-F498 HydrophobicContact CB-CD2 3.85Å; K404-F498 HydrophobicContact CB-CE2 4.37Å; K404-F498 HydrophobicContact CB-CG 4.47Å; K404-F498 HydrophobicContact CD-CD2 4.18Å; K404-F498 HydrophobicContact CD-CE2 4.12Å; K404-F498 HydrophobicContact CD-CZ 4.44Å; K404-F498 HydrophobicContact CG-CB 4.49Å; K404-F498 HydrophobicContact CG-CD2 3.97Å; K404-F498 HydrophobicContact CG-CE2 4.41Å; K404-F498 HydrophobicContact CG-CG 4.22Å
405	S	96.1	Very high	97.1	Very high	17 Å²	17	24.1 Å²	24.1	12%	0.119	14%	0.137	C	C	.	.	S	Bend	trans	-60.3	-47.1	177.4	-64.5	0	0	0	0	111.6	K461	S405-K461 PolarHBondContact O-N 3.45Å
406	V	98.6	Very high	96.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	126.8	176.8	-178	0	0	0	0	107.9	I454 L459 V460 I490 V495 M497 F498	V406-I454 HydrophobicContact CG1-CD1 3.5Å; V406-L459 WeakPolarHBondContact CA-O 3.45Å; V406-V460 HydrophobicContact CG1-CG2 4.29Å; V406-V460 HydrophobicContact CG2-CG1 4.08Å; V406-V460 HydrophobicContact CG2-CG2 4.4Å; V406-I490 HydrophobicContact CG1-CD1 4.5Å; V406-I490 HydrophobicContact CG2-CD1 4.2Å; V406-I490 HydrophobicContact CG2-CG2 4.4Å; V406-V495 HydrophobicContact CG2-CG1 3.93Å; V406-M497 HydrophobicContact CB-CG 4.13Å; V406-M497 HydrophobicContact CG1-CB 4.38Å; V406-M497 HydrophobicContact CG1-CG 3.86Å; V406-F498 PolarHBondContact O-N 3.41Å
407	I	98.8	Very high	96.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	139.6	-177.4	-173.8	177.4	0	0	0	112.2	L399 E402 K404 L448 Y458 L459 F498	L399-I407 HydrophobicContact CB-CG2 4.19Å; L399-I407 HydrophobicContact CD2-CD1 3.75Å; L399-I407 HydrophobicContact CD2-CG1 3.88Å; L399-I407 HydrophobicContact CD2-CG2 4.29Å; E402-I407 HydrophobicContact CB-CD1 3.83Å; E402-I407 HydrophobicContact CG-CD1 4.31Å; E402-I407 WeakPolarHBondContact OE2-CD1 3.16Å; K404-I407 HydrophobicContact CB-CB 4.11Å; K404-I407 HydrophobicContact CG-CD1 4.42Å; I407-L448 HydrophobicContact CD1-CD1 3.94Å; I407-L448 HydrophobicContact CG1-CD1 4.37Å; I407-Y458 CarbonylContact O-C 3.48Å; I407-Y458 WeakPolarHBondContact O-CA 3.43Å; I407-L459 HydrophobicContact CG2-CB 3.88Å; I407-L459 HydrophobicContact CG2-CD2 4.23Å; I407-L459 PolarHBondContact N-O 2.97Å; I407-L459 PolarHBondContact O-N 3.48Å; I407-F498 CarbonylContact C-O 3.48Å; I407-F498 VanDerWaalsContact CA-O 3.28Å; I407-F498 WeakPolarHBondContact CA-O 3.39Å; I407-F498 HydrophobicContact CB-CB 4.43Å; I407-F498 HydrophobicContact CG1-CB 4.25Å
408	A	98.9	Very high	96.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.5	170.9	0	0	0	0	0	111.1	I454 V457 F498 V499 S500	A408-I454 HydrophobicContact CB-CB 4Å; A408-I454 HydrophobicContact CB-CD1 4.18Å; A408-I454 HydrophobicContact CB-CG2 3.96Å; A408-V457 VanDerWaalsContact CB-O 3.24Å; A408-V457 WeakPolarHBondContact CB-O 3.36Å; A408-F498 PolarHBondContact N-O 3.16Å; A408-V499 CarbonylContact O-C 3.52Å; A408-V499 VanDerWaalsContact O-CA 3.3Å; A408-V499 WeakPolarHBondContact O-CA 3.47Å; A408-S500 PolarHBondContact O-N 3.34Å
409	P	98.7	Very high	96.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.3	162	30.7	-29.1	0	0	0	109	T395 L399 L411 N420 V457 F505	T395-P409 HydrophobicContact CG2-CB 4.15Å; T395-P409 HydrophobicContact CG2-CG 4.01Å; L399-P409 HydrophobicContact CD1-CB 4.38Å; L399-P409 HydrophobicContact CD1-CG 3.98Å; L399-P409 HydrophobicContact CD2-CB 4.2Å; P409-L411 PolarHBondContact O-N 2.88Å; P409-N420 PolarHBondContact O-ND2 3.17Å; P409-N420 PolarHBondContact O-OD1 2.91Å; P409-V457 HydrophobicContact CG-CB 4.46Å; P409-V457 HydrophobicContact CG-CG1 3.68Å; P409-V457 HydrophobicContact CG-CG2 3.94Å; P409-F505 HydrophobicContact CB-CB 3.67Å; P409-F505 HydrophobicContact CB-CD1 3.78Å; P409-F505 HydrophobicContact CB-CD2 3.48Å; P409-F505 VanDerWaalsContact CB-CD2 3.48Å; P409-F505 HydrophobicContact CB-CE1 4.26Å; P409-F505 HydrophobicContact CB-CE2 4.01Å; P409-F505 HydrophobicContact CB-CG 3.35Å; P409-F505 HydrophobicContact CB-CZ 4.36Å
410	M	98.6	Very high	96.5	Very high	28 Å²	28	33.7 Å²	33.7	14%	0.138	18%	0.179	C	C	.	.			trans	-71.8	116.4	176.5	-170.3	-172.1	76.6	0	0	109.7	F421 I440 V499 S500 N501	M410-F421 HydrophobicContact CG-CD1 4.19Å; M410-F421 HydrophobicContact CG-CE1 3.94Å; M410-F421 HydrophobicContact SD-CE1 4.01Å; M410-I440 HydrophobicContact SD-CG2 3.88Å; M410-V499 HydrophobicContact CB-CG2 3.75Å; M410-V499 HydrophobicContact CG-CG2 4.26Å; M410-S500 VanDerWaalsContact CB-O 3.29Å; M410-S500 WeakPolarHBondContact CB-O 3.45Å; M410-S500 PolarHBondContact N-O 2.99Å; M410-N501 HydrophobicContact CB-CB 3.76Å; M410-N501 HydrophobicContact CE-CB 3.67Å; M410-N501 HydrophobicContact CG-CB 4.28Å; M410-N501 HydrophobicContact SD-CB 3.56Å; M410-N501 VanDerWaalsContact SD-CB 3.56Å
411	L	98.5	Very high	96.5	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	18%	0.179	C	C	.	.			trans	-118.8	144.7	173.3	-53	-175.1	0	0	0	109.9	V388 L390 P409 S419 N420 V457 F505 L508	V388-L411 HydrophobicContact CB-CD1 4.35Å; V388-L411 HydrophobicContact CG1-CD1 3.48Å; V388-L411 VanDerWaalsContact CG1-CD1 3.48Å; V388-L411 HydrophobicContact CG2-CD1 4.2Å; L390-L411 HydrophobicContact CD2-CD1 4.16Å; L390-L411 HydrophobicContact CD2-CD2 4.3Å; P409-L411 PolarHBondContact O-N 2.88Å; L411-S419 WeakPolarHBondContact O-CA 3.48Å; L411-S419 WeakPolarHBondContact O-CB 3.39Å; L411-N420 PolarHBondContact N-OD1 2.9Å; L411-N420 PolarHBondContact O-N 3.2Å; L411-N420 VanDerWaalsContact O-N 3.13Å; L411-N420 PolarHBondContact O-OD1 2.81Å; L411-V457 HydrophobicContact CD1-CG1 3.42Å; L411-V457 VanDerWaalsContact CD1-CG1 3.42Å; L411-V457 HydrophobicContact CG-CG1 4.04Å; L411-F505 HydrophobicContact CD2-CB 3.77Å; L411-L508 HydrophobicContact CB-CD1 4.08Å; L411-L508 HydrophobicContact CB-CD2 3.92Å; L411-L508 HydrophobicContact CB-CG 3.68Å; L411-L508 HydrophobicContact CD1-CD2 3.95Å; L411-L508 WeakPolarHBondContact O-CD1 3.41Å
412	S	97.1	Very high	96.5	Very high	23 Å²	23	32.6 Å²	32.6	16%	0.161	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	152.8	177.6	-65.9	0	0	0	0	111.2	W418 S419 R507 L508	S412-W418 WeakPolarHBondContact CA-O 3.2Å; S412-S419 WeakPolarHBondContact OG-CB 3.43Å; S412-R507 WeakPolarHBondContact O-CA 3.32Å; S412-L508 PolarHBondContact O-N 3.05Å; S412-L508 VanDerWaalsContact O-N 3.07Å
413	K	95.6	Very high	96.5	Very high	37 Å²	37	33 Å²	33	16%	0.161	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	132.8	167	-84.4	172.4	-179.8	149.5	0	109	G415 K416 W418 L508	K413-G415 PolarHBondContact O-N 3.44Å; K413-K416 HydrophobicContact CB-CB 4.02Å; K413-K416 HydrophobicContact CB-CD 4.26Å; K413-K416 PolarHBondContact O-N 3.32Å; K413-W418 HydrophobicContact CB-CE3 4.28Å; K413-W418 HydrophobicContact CD-CB 4.38Å; K413-W418 HydrophobicContact CD-CD2 3.91Å; K413-W418 HydrophobicContact CD-CE3 3.3Å; K413-W418 HydrophobicContact CD-CG 4.37Å; K413-W418 HydrophobicContact CD-CZ3 3.78Å; K413-W418 HydrophobicContact CG-CE3 3.53Å; K413-W418 HydrophobicContact CG-CZ3 3.94Å; K413-W418 PolarHBondContact N-O 2.78Å; K413-L508 HydrophobicContact CG-CB 3.98Å
414	H	92.4	Very high	96.5	Very high	110 Å²	110	33.1 Å²	33.1	51%	0.509	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	130.8	-178.1	-178.2	69	0	0	0	111.7	K416 L531	H414-K416 PolarHBondContact O-N 2.99Å; H414-K416 VanDerWaalsContact O-N 3.15Å; H414-L531 HydrophobicContact CB-CD1 4.18Å; H414-L531 HydrophobicContact CB-CG 4.48Å; H414-L531 VanDerWaalsContact ND1-CD1 3.3Å; H414-L531 WeakPolarHBondContact ND1-CD1 3.37Å
415	G	90	Very high	96.4	Very high	81 Å²	81	32.8 Å²	32.8	84%	0.835	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.6	9.2	179.8	0	0	0	0	0	115.4	K413	K413-G415 PolarHBondContact O-N 3.44Å
416	K	93.3	Very high	96.2	Very high	122 Å²	122	33.5 Å²	33.5	53%	0.53	19%	0.187	S	C	.	.	S	Bend	trans	-125.9	161.4	-178.4	-63	179.3	-174.7	172.3	0	110.5	K413 H414	K413-K416 HydrophobicContact CB-CB 4.02Å; K413-K416 HydrophobicContact CB-CD 4.26Å; K413-K416 PolarHBondContact O-N 3.32Å; H414-K416 PolarHBondContact O-N 2.99Å; H414-K416 VanDerWaalsContact O-N 3.15Å
417	L	94.2	Very high	95.6	Very high	57 Å²	57	40 Å²	40	30%	0.298	23%	0.229	S	C	.	.	S	Bend	trans	-86.8	-6.6	175.1	-68.5	176.4	0	0	0	113.3	S419 Y437 I438 V441 Q442	L417-S419 PolarHBondContact O-N 2.99Å; L417-Y437 HydrophobicContact CB-CE1 4.36Å; L417-Y437 VanDerWaalsContact O-CE1 3.32Å; L417-Y437 WeakPolarHBondContact O-CE1 3.42Å; L417-Y437 PolarHBondContact O-OH 3.1Å; L417-I438 HydrophobicContact CD1-CD1 4.21Å; L417-I438 HydrophobicContact CD1-CG1 4.11Å; L417-I438 HydrophobicContact CD2-CG2 4.26Å; L417-V441 HydrophobicContact CD2-CG1 4.06Å; L417-Q442 HydrophobicContact CD2-CG 4.42Å
418	W	94.8	Very high	95	Very high	102 Å²	102	46.4 Å²	46.4	39%	0.386	26%	0.263	S	S	.	.			trans	-71.5	126.7	-179.8	-174.2	92.4	0	0	0	109.6	S412 K413 L508	S412-W418 WeakPolarHBondContact CA-O 3.2Å; K413-W418 HydrophobicContact CB-CE3 4.28Å; K413-W418 HydrophobicContact CD-CB 4.38Å; K413-W418 HydrophobicContact CD-CD2 3.91Å; K413-W418 HydrophobicContact CD-CE3 3.3Å; K413-W418 HydrophobicContact CD-CG 4.37Å; K413-W418 HydrophobicContact CD-CZ3 3.78Å; K413-W418 HydrophobicContact CG-CE3 3.53Å; K413-W418 HydrophobicContact CG-CZ3 3.94Å; K413-W418 PolarHBondContact N-O 2.78Å; W418-L508 HydrophobicContact CE3-CB 4.4Å; W418-L508 HydrophobicContact CE3-CD1 3.65Å; W418-L508 HydrophobicContact CH2-CD1 3.95Å; W418-L508 HydrophobicContact CZ3-CB 3.74Å; W418-L508 HydrophobicContact CZ3-CD1 3.14Å; W418-L508 HydrophobicContact CZ3-CG 3.94Å
419	S	96.9	Very high	94.4	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.028	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-140.2	168.6	-173.5	70.8	0	0	0	0	111	L411 S412 L417 F421 Y437	L411-S419 WeakPolarHBondContact O-CA 3.48Å; L411-S419 WeakPolarHBondContact O-CB 3.39Å; S412-S419 WeakPolarHBondContact OG-CB 3.43Å; L417-S419 PolarHBondContact O-N 2.99Å; S419-F421 PolarHBondContact O-N 2.74Å; S419-F421 VanDerWaalsContact O-N 3.15Å; S419-F421 WeakPolarHBondContact OG-CD1 3.47Å; S419-F421 VanDerWaalsContact OG-CE1 3.23Å; S419-F421 WeakPolarHBondContact OG-CE1 3.26Å; S419-Y437 PolarHBondContact N-OH 2.75Å; S419-Y437 PolarHBondContact OG-OH 2.55Å
420	N	98.3	Very high	94.1	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	30%	0.298	C	S	.	.	S	Bend	trans	-81.3	23.3	-176.3	70.3	-35.6	0	0	0	114.7	P409 L411 I454 T455 Q456 L508	P409-N420 PolarHBondContact O-ND2 3.17Å; P409-N420 PolarHBondContact O-OD1 2.91Å; L411-N420 PolarHBondContact N-OD1 2.9Å; L411-N420 PolarHBondContact O-N 3.2Å; L411-N420 VanDerWaalsContact O-N 3.13Å; L411-N420 PolarHBondContact O-OD1 2.81Å; N420-I454 WeakPolarHBondContact O-CA 3.44Å; N420-T455 HydrophobicContact CB-CG2 4.35Å; N420-T455 WeakPolarHBondContact CB-O 3.43Å; N420-T455 PolarHBondContact ND2-O 2.81Å; N420-T455 WeakPolarHBondContact O-CG2 3.38Å; N420-T455 PolarHBondContact O-N 2.88Å; N420-Q456 VanDerWaalsContact CA-OE1 3.28Å; N420-Q456 HydrophobicContact CB-CB 4.43Å; N420-L508 HydrophobicContact CB-CD1 3.94Å
421	F	98.5	Very high	93.8	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	157	175.8	81.4	-81.2	0	0	0	111.8	M410 S419 Y437 I440 V441 V451 Y453 I454 V499	M410-F421 HydrophobicContact CG-CD1 4.19Å; M410-F421 HydrophobicContact CG-CE1 3.94Å; M410-F421 HydrophobicContact SD-CE1 4.01Å; S419-F421 PolarHBondContact O-N 2.74Å; S419-F421 VanDerWaalsContact O-N 3.15Å; S419-F421 WeakPolarHBondContact OG-CD1 3.47Å; S419-F421 VanDerWaalsContact OG-CE1 3.23Å; S419-F421 WeakPolarHBondContact OG-CE1 3.26Å; F421-Y437 HydrophobicContact CD2-CE2 4.48Å; F421-Y437 HydrophobicContact CE1-CD2 4.5Å; F421-Y437 HydrophobicContact CE1-CE2 4.05Å; F421-Y437 AromaticContact CE2-CD2 3.8Å; F421-Y437 HydrophobicContact CE2-CD2 3.8Å; F421-Y437 AromaticContact CE2-CE2 3.97Å; F421-Y437 HydrophobicContact CE2-CE2 3.97Å; F421-Y437 AromaticContact CZ-CD2 3.73Å; F421-Y437 HydrophobicContact CZ-CD2 3.73Å; F421-Y437 AromaticContact CZ-CE2 3.73Å; F421-Y437 HydrophobicContact CZ-CE2 3.73Å; F421-I440 HydrophobicContact CE1-CG2 4.26Å; F421-I440 HydrophobicContact CE2-CG2 4.45Å; F421-I440 HydrophobicContact CZ-CB 4.23Å; F421-I440 HydrophobicContact CZ-CG2 3.68Å; F421-V441 HydrophobicContact CE1-CG2 3.83Å; F421-V441 HydrophobicContact CZ-CG2 4.04Å; F421-V451 HydrophobicContact CB-CG2 4.4Å; F421-V451 HydrophobicContact CD2-CB 4.26Å; F421-V451 HydrophobicContact CD2-CG1 3.79Å; F421-V451 HydrophobicContact CD2-CG2 4.47Å; F421-V451 HydrophobicContact CE2-CG1 4.17Å; F421-Y453 VanDerWaalsContact CA-O 3.22Å; F421-Y453 WeakPolarHBondContact CA-O 3.42Å; F421-Y453 WeakPolarHBondContact CB-O 3.38Å; F421-I454 HydrophobicContact CB-CG2 4.34Å; F421-V499 HydrophobicContact CB-CB 4.43Å; F421-V499 HydrophobicContact CB-CG1 4.44Å; F421-V499 HydrophobicContact CB-CG2 4.39Å; F421-V499 HydrophobicContact CD1-CG1 4.37Å; F421-V499 HydrophobicContact CD1-CG2 4.22Å; F421-V499 HydrophobicContact CD2-CG1 4.01Å; F421-V499 HydrophobicContact CE2-CG1 4.36Å; F421-V499 HydrophobicContact CG-CB 4.45Å; F421-V499 HydrophobicContact CG-CG1 4.02Å; F421-V499 HydrophobicContact CG-CG2 4.34Å
422	W	98.3	Very high	93.5	Very high	40 Å²	40	58.6 Å²	58.6	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	135.1	167.6	-51.8	-19.1	0	0	0	109.9	L425 Y431 P452 Y453 M484	W422-L425 HydrophobicContact CE3-CD2 3.51Å; W422-L425 HydrophobicContact CZ3-CD2 3.96Å; W422-Y431 HydrophobicContact CB-CD2 4.12Å; W422-Y431 AromaticContact CD1-CD2 3.56Å; W422-Y431 AromaticContact CD2-CD2 3.87Å; W422-Y431 HydrophobicContact CD2-CD2 3.87Å; W422-Y431 HydrophobicContact CD2-CG 4.4Å; W422-Y431 AromaticContact CG-CD2 3.6Å; W422-Y431 HydrophobicContact CG-CD2 3.6Å; W422-Y431 HydrophobicContact CG-CE2 4.38Å; W422-Y431 AromaticContact NE1-CD2 3.82Å; W422-P452 WeakPolarHBondContact O-CD 3.38Å; W422-P452 WeakPolarHBondContact O-CG 3.43Å; W422-Y453 HydrophobicContact CB-CD1 4.18Å; W422-Y453 HydrophobicContact CB-CG 4.43Å; W422-Y453 AromaticContact CD1-CD1 3.57Å; W422-Y453 AromaticContact CD1-CE1 3.94Å; W422-Y453 AromaticContact CD2-CD1 3.39Å; W422-Y453 HydrophobicContact CD2-CD1 3.39Å; W422-Y453 HydrophobicContact CD2-CD2 4.35Å; W422-Y453 AromaticContact CD2-CE1 3.88Å; W422-Y453 HydrophobicContact CD2-CE1 3.88Å; W422-Y453 AromaticContact CD2-CG 3.65Å; W422-Y453 HydrophobicContact CD2-CG 3.65Å; W422-Y453 AromaticContact CE2-CD1 3.54Å; W422-Y453 AromaticContact CE2-CE1 3.48Å; W422-Y453 VanDerWaalsContact CE2-CE1 3.48Å; W422-Y453 AromaticContact CE3-CD1 3.97Å; W422-Y453 HydrophobicContact CE3-CD1 3.97Å; W422-Y453 HydrophobicContact CE3-CD2 4.11Å; W422-Y453 AromaticContact CE3-CG 3.73Å; W422-Y453 HydrophobicContact CE3-CG 3.73Å; W422-Y453 AromaticContact CG-CD1 3.45Å; W422-Y453 HydrophobicContact CG-CD1 3.45Å; W422-Y453 VanDerWaalsContact CG-CD1 3.45Å; W422-Y453 HydrophobicContact CG-CE1 4.17Å; W422-Y453 AromaticContact CG-CG 3.96Å; W422-Y453 HydrophobicContact CG-CG 3.96Å; W422-Y453 HydrophobicContact CH2-CD2 4.49Å; W422-Y453 HydrophobicContact CH2-CE2 4.35Å; W422-Y453 HydrophobicContact CZ2-CD1 4.23Å; W422-Y453 AromaticContact CZ2-CE1 3.86Å; W422-Y453 HydrophobicContact CZ2-CE1 3.86Å; W422-Y453 HydrophobicContact CZ2-CE2 4.41Å; W422-Y453 AromaticContact CZ2-CZ 3.99Å; W422-Y453 HydrophobicContact CZ3-CD2 4.19Å; W422-Y453 HydrophobicContact CZ3-CE2 4.49Å; W422-Y453 HydrophobicContact CZ3-CG 4.26Å; W422-Y453 PolarHBondContact N-O 3.05Å; W422-Y453 AromaticContact NE1-CD1 3.59Å; W422-Y453 AromaticContact NE1-CE1 3.49Å; W422-M484 HydrophobicContact CH2-CE 4.45Å; W422-M484 HydrophobicContact CH2-CG 4.21Å; W422-M484 HydrophobicContact CH2-SD 4.14Å
423	G	96.3	Very high	93.3	Very high	13 Å²	13	64 Å²	64	13%	0.134	34%	0.343	C	S	.	.	S	Bend	trans	-81.3	-20	177.2	0	0	0	0	0	114.3	S434	G423-S434 WeakPolarHBondContact CA-OG 3.49Å
424	A	95.7	Very high	93.2	Very high	27 Å²	27	62.8 Å²	62.8	22%	0.223	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.3	179.5	0	0	0	0	0	111.8	S432	A424-S432 CarbonylContact C-O 3.58Å; A424-S432 PolarHBondContact N-O 3.12Å; A424-S432 PolarHBondContact O-N 3.45Å; A424-S432 VanDerWaalsContact O-N 3.14Å
425	L	94.8	Very high	93.3	Very high	27 Å²	27	64.6 Å²	64.6	14%	0.141	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	149.1	172.2	-58.7	-177.9	0	0	0	110.8	L251 W422 F430 S432 P452	L251-L425 HydrophobicContact CD1-CD1 3.69Å; L251-L425 HydrophobicContact CD1-CG 4.2Å; W422-L425 HydrophobicContact CE3-CD2 3.51Å; W422-L425 HydrophobicContact CZ3-CD2 3.96Å; L425-F430 CarbonylContact C-O 3.6Å; L425-F430 VanDerWaalsContact CA-O 3.24Å; L425-F430 WeakPolarHBondContact CA-O 3.37Å; L425-S432 VanDerWaalsContact C-CB 3.47Å; L425-P452 HydrophobicContact CD1-CB 3.97Å; L425-P452 HydrophobicContact CD2-CB 4.25Å; L425-P452 HydrophobicContact CD2-CG 4.32Å; L425-P452 HydrophobicContact CG-CB 3.79Å; L425-P452 HydrophobicContact CG-CG 4.05Å
426	S	92	Very high	93.6	Very high	31 Å²	31	61 Å²	61	22%	0.217	31%	0.31	C	S	.	.			trans	-69.1	166.1	163.3	75.7	0	0	0	0	110.2	D428 G429 F430	S426-D428 PolarHBondContact O-N 3.04Å; S426-D428 VanDerWaalsContact O-N 3.15Å; S426-D428 PolarHBondContact OG-N 3.03Å; S426-G429 PolarHBondContact O-N 3.37Å; S426-F430 PolarHBondContact N-O 2.98Å; S426-F430 PolarHBondContact OG-N 2.84Å
427	P	85.9	Confident	93.8	Very high	136 Å²	136	55.4 Å²	55.4	88%	0.883	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.4	173.8	-26.6	36.3	0	0	0	113.9	G429	P427-G429 VanDerWaalsContact C-N 3.26Å; P427-G429 PolarHBondContact O-N 3.36Å
428	D	85.9	Confident	93.9	Very high	135 Å²	135	55.5 Å²	55.5	72%	0.722	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	1.7	178.1	-56	-47	0	0	0	113	S426 F430	S426-D428 PolarHBondContact O-N 3.04Å; S426-D428 VanDerWaalsContact O-N 3.15Å; S426-D428 PolarHBondContact OG-N 3.03Å; D428-F430 HydrophobicContact CB-CD2 3.81Å; D428-F430 HydrophobicContact CB-CE2 4.24Å; D428-F430 WeakPolarHBondContact O-CD2 3.45Å
429	G	86.8	Confident	94	Very high	24 Å²	24	53.2 Å²	53.2	25%	0.247	28%	0.279	C	S	.	.	S	Bend	trans	83	9.9	178.1	0	0	0	0	0	115.2	S426 P427	S426-G429 PolarHBondContact O-N 3.37Å; P427-G429 VanDerWaalsContact C-N 3.26Å; P427-G429 PolarHBondContact O-N 3.36Å
430	F	91.8	Very high	94.1	Very high	113 Å²	113	53.2 Å²	53.2	50%	0.496	28%	0.279	S	S	.	.	S	Bend	trans	-92.7	176.5	177	-69.9	-89.6	0	0	0	112	L425 S426 D428 S432 M484	L425-F430 CarbonylContact C-O 3.6Å; L425-F430 VanDerWaalsContact CA-O 3.24Å; L425-F430 WeakPolarHBondContact CA-O 3.37Å; S426-F430 PolarHBondContact N-O 2.98Å; S426-F430 PolarHBondContact OG-N 2.84Å; D428-F430 HydrophobicContact CB-CD2 3.81Å; D428-F430 HydrophobicContact CB-CE2 4.24Å; D428-F430 WeakPolarHBondContact O-CD2 3.45Å; F430-S432 PolarHBondContact O-N 2.98Å; F430-M484 HydrophobicContact CD1-CE 3.68Å; F430-M484 HydrophobicContact CD1-SD 4.17Å; F430-M484 HydrophobicContact CE1-CE 3.76Å; F430-M484 HydrophobicContact CE1-SD 4.12Å; F430-M484 HydrophobicContact CG-CE 4.21Å; F430-M484 HydrophobicContact CZ-CE 4.34Å
431	Y	92.5	Very high	94	Very high	101 Å²	101	54 Å²	54	40%	0.396	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	130.6	178.6	171.2	-102.3	0	0	0	112.8	W422	W422-Y431 HydrophobicContact CB-CD2 4.12Å; W422-Y431 AromaticContact CD1-CD2 3.56Å; W422-Y431 AromaticContact CD2-CD2 3.87Å; W422-Y431 HydrophobicContact CD2-CD2 3.87Å; W422-Y431 HydrophobicContact CD2-CG 4.4Å; W422-Y431 AromaticContact CG-CD2 3.6Å; W422-Y431 HydrophobicContact CG-CD2 3.6Å; W422-Y431 HydrophobicContact CG-CE2 4.38Å; W422-Y431 AromaticContact NE1-CD2 3.82Å
432	S	92.7	Very high	93.9	Very high	47 Å²	47	59 Å²	59	33%	0.329	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	147.4	162.1	-175.1	0	0	0	0	109.2	A424 L425 F430	A424-S432 CarbonylContact C-O 3.58Å; A424-S432 PolarHBondContact N-O 3.12Å; A424-S432 PolarHBondContact O-N 3.45Å; A424-S432 VanDerWaalsContact O-N 3.14Å; L425-S432 VanDerWaalsContact C-CB 3.47Å; F430-S432 PolarHBondContact O-N 2.98Å
433	R	93.2	Very high	93.8	Very high	136 Å²	136	58.9 Å²	58.9	51%	0.513	32%	0.318	S	S	.	.			trans	-83.3	123	178.4	-177	179.2	-69.6	171.6	0.3	109.5	Y437	R433-Y437 HydrophobicContact CG-CD1 4.34Å; R433-Y437 HydrophobicContact CG-CG 4.35Å
434	S	93.8	Very high	93.8	Very high	13 Å²	13	64.7 Å²	64.7	9%	0.091	34%	0.34	C	S	.	.			trans	-73.8	160	169.4	65.2	0	0	0	0	111.7	G423 D436 Y437	G423-S434 WeakPolarHBondContact CA-OG 3.49Å; S434-D436 VanDerWaalsContact CB-OD1 3.25Å; S434-D436 WeakPolarHBondContact CB-OD1 3.33Å; S434-D436 PolarHBondContact O-N 2.86Å; S434-D436 PolarHBondContact OG-OD1 3.31Å; S434-Y437 PolarHBondContact O-N 2.88Å; S434-Y437 WeakPolarHBondContact OG-CB 3.46Å; S434-Y437 PolarHBondContact OG-N 2.96Å
435	E	93.6	Very high	93.8	Very high	147 Å²	147	64.3 Å²	64.3	69%	0.687	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.9	-179.5	-61.1	-177.4	156.9	0	0	112.9	Y255	Y255-E435 PolarHBondContact OH-OE2 2.91Å
436	D	96.1	Very high	94	Very high	5 Å²	5	66 Å²	66	3%	0.027	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-4.1	-175	59	-9.7	0	0	0	114.5	Y255 Y259 S434 I438 E439 I440	Y255-D436 HydrophobicContact CE2-CB 4.34Å; Y255-D436 WeakPolarHBondContact CE2-OD2 3.44Å; Y259-D436 WeakPolarHBondContact CE2-OD2 3.38Å; Y259-D436 WeakPolarHBondContact OH-CB 3.18Å; Y259-D436 VanDerWaalsContact OH-CG 3.29Å; Y259-D436 PolarHBondContact OH-OD2 3.39Å; S434-D436 VanDerWaalsContact CB-OD1 3.25Å; S434-D436 WeakPolarHBondContact CB-OD1 3.33Å; S434-D436 PolarHBondContact O-N 2.86Å; S434-D436 PolarHBondContact OG-OD1 3.31Å; D436-I438 VanDerWaalsContact C-N 3.32Å; D436-I438 PolarHBondContact O-N 3.15Å; D436-E439 PolarHBondContact O-N 3.44Å; D436-I440 HydrophobicContact CB-CD1 4.27Å; D436-I440 WeakPolarHBondContact O-CG1 3.25Å; D436-I440 PolarHBondContact O-N 2.62Å
437	Y	97.7	Very high	94.3	Very high	6 Å²	6	64.6 Å²	64.6	2%	0.024	33%	0.334	C	S	.	.	H	α-helix	trans	-52.2	-47.4	-172.9	179.1	-97.2	0	0	0	113.1	L417 S419 F421 R433 S434 E439 I440 V441	L417-Y437 HydrophobicContact CB-CE1 4.36Å; L417-Y437 VanDerWaalsContact O-CE1 3.32Å; L417-Y437 WeakPolarHBondContact O-CE1 3.42Å; L417-Y437 PolarHBondContact O-OH 3.1Å; S419-Y437 PolarHBondContact N-OH 2.75Å; S419-Y437 PolarHBondContact OG-OH 2.55Å; F421-Y437 HydrophobicContact CD2-CE2 4.48Å; F421-Y437 HydrophobicContact CE1-CD2 4.5Å; F421-Y437 HydrophobicContact CE1-CE2 4.05Å; F421-Y437 AromaticContact CE2-CD2 3.8Å; F421-Y437 HydrophobicContact CE2-CD2 3.8Å; F421-Y437 AromaticContact CE2-CE2 3.97Å; F421-Y437 HydrophobicContact CE2-CE2 3.97Å; F421-Y437 AromaticContact CZ-CD2 3.73Å; F421-Y437 HydrophobicContact CZ-CD2 3.73Å; F421-Y437 AromaticContact CZ-CE2 3.73Å; F421-Y437 HydrophobicContact CZ-CE2 3.73Å; R433-Y437 HydrophobicContact CG-CD1 4.34Å; R433-Y437 HydrophobicContact CG-CG 4.35Å; S434-Y437 PolarHBondContact O-N 2.88Å; S434-Y437 WeakPolarHBondContact OG-CB 3.46Å; S434-Y437 PolarHBondContact OG-N 2.96Å; Y437-E439 VanDerWaalsContact C-N 3.32Å; Y437-E439 PolarHBondContact O-N 2.81Å; Y437-I440 PolarHBondContact O-N 3.39Å; Y437-V441 HydrophobicContact CD1-CG2 4.26Å; Y437-V441 HydrophobicContact CD2-CG2 4.4Å; Y437-V441 HydrophobicContact CE1-CG2 3.83Å; Y437-V441 HydrophobicContact CE2-CG2 4Å; Y437-V441 WeakPolarHBondContact O-CG2 3.37Å; Y437-V441 PolarHBondContact O-N 3Å
438	I	97.3	Very high	94.8	Very high	59 Å²	59	59.1 Å²	59.1	30%	0.303	30%	0.297	S	S	.	.	H	α-helix	trans	-66	-37.6	-177.4	-62.6	179.6	0	0	0	110.9	L417 D436 Q442	L417-I438 HydrophobicContact CD1-CD1 4.21Å; L417-I438 HydrophobicContact CD1-CG1 4.11Å; L417-I438 HydrophobicContact CD2-CG2 4.26Å; D436-I438 VanDerWaalsContact C-N 3.32Å; D436-I438 PolarHBondContact O-N 3.15Å; I438-Q442 HydrophobicContact CG2-CG 4.22Å; I438-Q442 VanDerWaalsContact O-CB 3.24Å; I438-Q442 WeakPolarHBondContact O-CB 3.31Å; I438-Q442 WeakPolarHBondContact O-CG 3.24Å; I438-Q442 PolarHBondContact O-N 2.91Å
439	E	97	Very high	95.4	Very high	54 Å²	54	52.8 Å²	52.8	25%	0.252	26%	0.263	S	S	.	.	H	α-helix	trans	-72.1	-33.3	-179.3	-65.6	171.1	111.9	0	0	112	D436 Y437 G443 K444 R445	D436-E439 PolarHBondContact O-N 3.44Å; Y437-E439 VanDerWaalsContact C-N 3.32Å; Y437-E439 PolarHBondContact O-N 2.81Å; E439-G443 PolarHBondContact O-N 2.87Å; E439-K444 HydrophobicContact CB-CB 4.03Å; E439-K444 HydrophobicContact CG-CB 4.45Å; E439-K444 HydrophobicContact CG-CD 4.22Å; E439-K444 WeakPolarHBondContact O-CA 3.48Å; E439-K444 WeakPolarHBondContact O-CB 3.4Å; E439-K444 PolarHBondContact O-N 3.2Å; E439-R445 HydrophobicContact CB-CG 3.95Å; E439-R445 VanDerWaalsContact CD-CZ 3.48Å; E439-R445 PolarHBondContact O-N 3.15Å; E439-R445 IonicContact OE1-CZ 3.7Å; E439-R445 IonicContact OE1-NE 2.89Å; E439-R445 PolarHBondContact OE1-NE 3.47Å; E439-R445 IonicContact OE1-NH2 3.41Å; E439-R445 PolarHBondContact OE1-NH2 3.3Å; E439-R445 IonicContact OE2-CZ 3.27Å; E439-R445 IonicContact OE2-NE 2.68Å; E439-R445 PolarHBondContact OE2-NE 3.39Å; E439-R445 VanDerWaalsContact OE2-NE 3.15Å; E439-R445 IonicContact OE2-NH1 2.56Å; E439-R445 IonicContact OE2-NH2 2.92Å; E439-R445 PolarHBondContact OE2-NH2 3.44Å
440	I	97.8	Very high	95.9	Very high	3 Å²	3	52 Å²	52	2%	0.015	25%	0.254	C	S	.	.	H	α-helix	trans	-67.7	-52.2	173.2	-65	170.5	0	0	0	110.1	M410 F421 D436 Y437 Q442 G443 W449 N501	M410-I440 HydrophobicContact SD-CG2 3.88Å; F421-I440 HydrophobicContact CE1-CG2 4.26Å; F421-I440 HydrophobicContact CE2-CG2 4.45Å; F421-I440 HydrophobicContact CZ-CB 4.23Å; F421-I440 HydrophobicContact CZ-CG2 3.68Å; D436-I440 HydrophobicContact CB-CD1 4.27Å; D436-I440 WeakPolarHBondContact O-CG1 3.25Å; D436-I440 PolarHBondContact O-N 2.62Å; Y437-I440 PolarHBondContact O-N 3.39Å; I440-Q442 VanDerWaalsContact C-N 3.29Å; I440-Q442 PolarHBondContact O-N 3.11Å; I440-G443 PolarHBondContact O-N 2.97Å; I440-W449 HydrophobicContact CD1-CD2 3.61Å; I440-W449 HydrophobicContact CD1-CE3 3.76Å; I440-W449 HydrophobicContact CD1-CG 3.95Å; I440-W449 HydrophobicContact CD1-CZ3 4.3Å; I440-W449 HydrophobicContact CG1-CD2 3.97Å; I440-W449 HydrophobicContact CG1-CE3 4.31Å; I440-W449 HydrophobicContact CG1-CG 4.48Å; I440-W449 HydrophobicContact CG1-CH2 4.42Å; I440-W449 HydrophobicContact CG1-CZ2 4.07Å; I440-W449 HydrophobicContact CG2-CG 4.4Å; I440-N501 PolarHBondContact O-ND2 2.79Å
441	V	97.4	Very high	96.3	Very high	18 Å²	18	47 Å²	47	11%	0.109	23%	0.232	C	C	.	.	H	α-helix	trans	-61.2	-36.5	-179	170.5	0	0	0	0	112.4	L417 F421 Y437 G443	L417-V441 HydrophobicContact CD2-CG1 4.06Å; F421-V441 HydrophobicContact CE1-CG2 3.83Å; F421-V441 HydrophobicContact CZ-CG2 4.04Å; Y437-V441 HydrophobicContact CD1-CG2 4.26Å; Y437-V441 HydrophobicContact CD2-CG2 4.4Å; Y437-V441 HydrophobicContact CE1-CG2 3.83Å; Y437-V441 HydrophobicContact CE2-CG2 4Å; Y437-V441 WeakPolarHBondContact O-CG2 3.37Å; Y437-V441 PolarHBondContact O-N 3Å; V441-G443 VanDerWaalsContact C-N 3.27Å; V441-G443 PolarHBondContact O-N 3.15Å
442	Q	96.1	Very high	96.5	Very high	104 Å²	104	42.6 Å²	42.6	49%	0.486	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	3.2	178.9	-67.9	-179.3	-19.7	0	0	113.9	L417 I438 I440 K444	L417-Q442 HydrophobicContact CD2-CG 4.42Å; I438-Q442 HydrophobicContact CG2-CG 4.22Å; I438-Q442 VanDerWaalsContact O-CB 3.24Å; I438-Q442 WeakPolarHBondContact O-CB 3.31Å; I438-Q442 WeakPolarHBondContact O-CG 3.24Å; I438-Q442 PolarHBondContact O-N 2.91Å; I440-Q442 VanDerWaalsContact C-N 3.29Å; I440-Q442 PolarHBondContact O-N 3.11Å; Q442-K444 HydrophobicContact CB-CD 4.49Å; Q442-K444 HydrophobicContact CB-CG 4.31Å; Q442-K444 PolarHBondContact O-N 2.93Å; Q442-K444 VanDerWaalsContact OE1-CE 3.31Å
443	G	95.4	Very high	96.8	Very high	38 Å²	38	41.1 Å²	41.1	39%	0.392	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	18.4	-177.8	0	0	0	0	0	114.2	E439 I440 V441 V446	E439-G443 PolarHBondContact O-N 2.87Å; I440-G443 PolarHBondContact O-N 2.97Å; V441-G443 VanDerWaalsContact C-N 3.27Å; V441-G443 PolarHBondContact O-N 3.15Å; G443-V446 WeakPolarHBondContact O-CG2 3.39Å
444	K	96.3	Very high	97.1	Very high	135 Å²	135	34.6 Å²	34.6	59%	0.587	18%	0.179	S	C	*	.	S	Bend	trans	-73.4	-32.7	173.2	-69.3	174.5	174.5	161.7	0	111.4	E439 Q442	E439-K444 HydrophobicContact CB-CB 4.03Å; E439-K444 HydrophobicContact CG-CB 4.45Å; E439-K444 HydrophobicContact CG-CD 4.22Å; E439-K444 WeakPolarHBondContact O-CA 3.48Å; E439-K444 WeakPolarHBondContact O-CB 3.4Å; E439-K444 PolarHBondContact O-N 3.2Å; Q442-K444 HydrophobicContact CB-CD 4.49Å; Q442-K444 HydrophobicContact CB-CG 4.31Å; Q442-K444 PolarHBondContact O-N 2.93Å; Q442-K444 VanDerWaalsContact OE1-CE 3.31Å
445	R	97	Very high	97.3	Very high	18 Å²	18	34.1 Å²	34.1	7%	0.068	18%	0.175	C	C	.	.	S	Bend	trans	-118.8	109.1	170	-58.9	-173.6	-174.2	174	5.3	108	Y259 W264 E439 W449 N501	Y259-R445 VanDerWaalsContact CZ-NH1 3.34Å; Y259-R445 PolarHBondContact OH-NH1 2.94Å; W264-R445 HydrophobicContact CH2-CB 4.31Å; W264-R445 HydrophobicContact CH2-CG 3.58Å; W264-R445 HydrophobicContact CZ2-CB 3.71Å; W264-R445 HydrophobicContact CZ2-CG 3.48Å; W264-R445 VanDerWaalsContact CZ2-CG 3.48Å; W264-R445 HydrophobicContact CZ3-CG 4.23Å; E439-R445 HydrophobicContact CB-CG 3.95Å; E439-R445 VanDerWaalsContact CD-CZ 3.48Å; E439-R445 PolarHBondContact O-N 3.15Å; E439-R445 IonicContact OE1-CZ 3.7Å; E439-R445 IonicContact OE1-NE 2.89Å; E439-R445 PolarHBondContact OE1-NE 3.47Å; E439-R445 IonicContact OE1-NH2 3.41Å; E439-R445 PolarHBondContact OE1-NH2 3.3Å; E439-R445 IonicContact OE2-CZ 3.27Å; E439-R445 IonicContact OE2-NE 2.68Å; E439-R445 PolarHBondContact OE2-NE 3.39Å; E439-R445 VanDerWaalsContact OE2-NE 3.15Å; E439-R445 IonicContact OE2-NH1 2.56Å; E439-R445 IonicContact OE2-NH2 2.92Å; E439-R445 PolarHBondContact OE2-NH2 3.44Å; R445-W449 HydrophobicContact CB-CH2 3.67Å; R445-W449 HydrophobicContact CB-CZ2 3.64Å; R445-W449 WeakPolarHBondContact O-CZ2 3.48Å; R445-N501 PolarHBondContact O-ND2 2.93Å
446	V	97.8	Very high	97.5	Very high	63 Å²	63	28 Å²	28	38%	0.382	15%	0.147	S	C	.	.			trans	-102.3	134.1	178.8	175.1	0	0	0	0	109.4	W264 G443 N501	W264-V446 PolarHBondContact NE1-O 3.33Å; W264-V446 VanDerWaalsContact NE1-O 3.13Å; G443-V446 WeakPolarHBondContact O-CG2 3.39Å; V446-N501 WeakPolarHBondContact CA-OD1 3.44Å; V446-N501 WeakPolarHBondContact CG1-O 3.39Å
447	G	97.6	Very high	97.6	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.01	15%	0.146	C	C	.	.	S	Bend	trans	166.6	-156.2	-178.3	0	0	0	0	0	113.2	W449 N501	G447-W449 PolarHBondContact O-NE1 3.36Å; G447-N501 PolarHBondContact N-OD1 2.76Å; G447-N501 PolarHBondContact O-N 3.13Å; G447-N501 PolarHBondContact O-OD1 2.8Å
448	L	97.4	Very high	97.7	Very high	21 Å²	21	27.5 Å²	27.5	11%	0.11	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.6	179.7	-175.3	67.5	0	0	0	109.1	C273 E402 K404 I407 F498	C273-L448 VanDerWaalsContact SG-CB 3.52Å; C273-L448 PolarHBondContact SG-N 2.86Å; E402-L448 WeakPolarHBondContact OE2-CD1 3.23Å; K404-L448 HydrophobicContact CD-CD2 3.87Å; K404-L448 HydrophobicContact CG-CD2 3.84Å; I407-L448 HydrophobicContact CD1-CD1 3.94Å; I407-L448 HydrophobicContact CG1-CD1 4.37Å; L448-F498 HydrophobicContact CD1-CB 3.7Å; L448-F498 HydrophobicContact CD1-CD1 4.35Å; L448-F498 HydrophobicContact CD1-CG 4.35Å; L448-F498 HydrophobicContact CD2-CB 4.48Å; L448-F498 HydrophobicContact CD2-CD1 3.92Å; L448-F498 HydrophobicContact CD2-CE1 4.41Å; L448-F498 HydrophobicContact CD2-CG 4.28Å; L448-F498 HydrophobicContact CG-CB 4.07Å; L448-F498 HydrophobicContact CG-CD1 3.76Å; L448-F498 HydrophobicContact CG-CG 4.21Å
449	W	98.3	Very high	97.8	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.8	-165.7	-49.7	93.2	0	0	0	110.7	N258 Y259 W264 I440 R445 G447 V451 F498 V499 N501	N258-W449 HydrophobicContact CB-CE3 4.03Å; N258-W449 HydrophobicContact CB-CZ3 4.34Å; Y259-W449 HydrophobicContact CE1-CH2 4.3Å; Y259-W449 AromaticContact CE1-CZ3 3.87Å; Y259-W449 HydrophobicContact CE1-CZ3 3.87Å; Y259-W449 HydrophobicContact CE2-CZ3 4.33Å; Y259-W449 AromaticContact CZ-CZ3 3.64Å; Y259-W449 WeakPolarHBondContact OH-CZ3 3.44Å; W264-W449 HydrophobicContact CB-CH2 4.24Å; W264-W449 HydrophobicContact CB-CZ3 4.43Å; W264-W449 AromaticContact CD1-CH2 3.58Å; W264-W449 AromaticContact CD1-CZ2 3.98Å; W264-W449 HydrophobicContact CD2-CH2 4.1Å; W264-W449 AromaticContact CG-CH2 3.72Å; W264-W449 HydrophobicContact CG-CH2 3.72Å; W264-W449 HydrophobicContact CG-CZ3 4.36Å; W264-W449 AromaticContact NE1-CH2 3.89Å; I440-W449 HydrophobicContact CD1-CD2 3.61Å; I440-W449 HydrophobicContact CD1-CE3 3.76Å; I440-W449 HydrophobicContact CD1-CG 3.95Å; I440-W449 HydrophobicContact CD1-CZ3 4.3Å; I440-W449 HydrophobicContact CG1-CD2 3.97Å; I440-W449 HydrophobicContact CG1-CE3 4.31Å; I440-W449 HydrophobicContact CG1-CG 4.48Å; I440-W449 HydrophobicContact CG1-CH2 4.42Å; I440-W449 HydrophobicContact CG1-CZ2 4.07Å; I440-W449 HydrophobicContact CG2-CG 4.4Å; R445-W449 HydrophobicContact CB-CH2 3.67Å; R445-W449 HydrophobicContact CB-CZ2 3.64Å; R445-W449 WeakPolarHBondContact O-CZ2 3.48Å; G447-W449 PolarHBondContact O-NE1 3.36Å; W449-V451 HydrophobicContact CB-CG1 4.01Å; W449-V451 PolarHBondContact O-N 3.07Å; W449-F498 CarbonylContact O-C 3.57Å; W449-F498 VanDerWaalsContact O-CA 3.24Å; W449-F498 WeakPolarHBondContact O-CA 3.09Å; W449-V499 HydrophobicContact CB-CG1 3.82Å; W449-V499 HydrophobicContact CG-CG1 4.39Å; W449-V499 PolarHBondContact N-O 3.27Å; W449-V499 PolarHBondContact O-N 3.39Å; W449-N501 PolarHBondContact NE1-OD1 3.42Å
450	N	98.3	Very high	97.8	Very high	9 Å²	9	22.2 Å²	22.2	5%	0.048	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	114.1	168.9	-178.4	-4.4	0	0	0	109	N258 F496 M497 F498	N258-N450 PolarHBondContact ND2-N 3.48Å; N258-N450 PolarHBondContact ND2-O 3.16Å; N258-N450 VanDerWaalsContact OD1-CB 3.28Å; N258-N450 WeakPolarHBondContact OD1-CB 3.45Å; N258-N450 PolarHBondContact OD1-N 3.38Å; N450-F496 WeakPolarHBondContact ND2-CD1 3.21Å; N450-F496 WeakPolarHBondContact ND2-CD2 3.37Å; N450-F496 WeakPolarHBondContact ND2-CE2 3.12Å; N450-F496 WeakPolarHBondContact ND2-CG 3.43Å; N450-M497 CarbonylContact C-O 3.49Å; N450-M497 WeakPolarHBondContact CA-O 3.24Å; N450-M497 PolarHBondContact OD1-O 3.28Å; N450-F498 HydrophobicContact CB-CD1 4.2Å; N450-F498 HydrophobicContact CB-CE1 3.95Å
451	V	98.5	Very high	97.9	Very high	6 Å²	6	24.9 Å²	24.9	4%	0.036	13%	0.13	C	C	.	.			trans	-126.8	149.3	-171.7	-67.5	0	0	0	0	111.2	F421 W449 Y453 I454 M497 V499	F421-V451 HydrophobicContact CB-CG2 4.4Å; F421-V451 HydrophobicContact CD2-CB 4.26Å; F421-V451 HydrophobicContact CD2-CG1 3.79Å; F421-V451 HydrophobicContact CD2-CG2 4.47Å; F421-V451 HydrophobicContact CE2-CG1 4.17Å; W449-V451 HydrophobicContact CB-CG1 4.01Å; W449-V451 PolarHBondContact O-N 3.07Å; V451-Y453 VanDerWaalsContact C-N 3.32Å; V451-Y453 PolarHBondContact O-N 3.14Å; V451-I454 HydrophobicContact CG2-CG2 3.69Å; V451-M497 PolarHBondContact N-O 3.13Å; V451-V499 HydrophobicContact CG1-CG1 3.77Å; V451-V499 HydrophobicContact CG2-CB 4.14Å; V451-V499 HydrophobicContact CG2-CG1 3.92Å
452	P	98.1	Very high	97.9	Very high	10 Å²	10	24 Å²	24	7%	0.065	13%	0.125	C	C	.	.	S	Bend	trans	-74.3	-16.3	-177.8	28.9	-38.3	0	0	0	114.9	L251 W422 L425 R491 M497	L251-P452 HydrophobicContact CD1-CB 4.17Å; L251-P452 HydrophobicContact CD2-CB 4.35Å; W422-P452 WeakPolarHBondContact O-CD 3.38Å; W422-P452 WeakPolarHBondContact O-CG 3.43Å; L425-P452 HydrophobicContact CD1-CB 3.97Å; L425-P452 HydrophobicContact CD2-CB 4.25Å; L425-P452 HydrophobicContact CD2-CG 4.32Å; L425-P452 HydrophobicContact CG-CB 3.79Å; L425-P452 HydrophobicContact CG-CG 4.05Å; P452-R491 WeakPolarHBondContact O-CD 3.43Å; P452-R491 PolarHBondContact O-NH1 3.36Å; P452-M497 WeakPolarHBondContact O-CE 3.07Å
453	Y	98.6	Very high	97.9	Very high	15 Å²	15	21.8 Å²	21.8	6%	0.059	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	135.4	-174.3	178.4	-92.6	0	0	0	110.9	F421 W422 V451 T455 D483 M484 C487	F421-Y453 VanDerWaalsContact CA-O 3.22Å; F421-Y453 WeakPolarHBondContact CA-O 3.42Å; F421-Y453 WeakPolarHBondContact CB-O 3.38Å; W422-Y453 HydrophobicContact CB-CD1 4.18Å; W422-Y453 HydrophobicContact CB-CG 4.43Å; W422-Y453 AromaticContact CD1-CD1 3.57Å; W422-Y453 AromaticContact CD1-CE1 3.94Å; W422-Y453 AromaticContact CD2-CD1 3.39Å; W422-Y453 HydrophobicContact CD2-CD1 3.39Å; W422-Y453 HydrophobicContact CD2-CD2 4.35Å; W422-Y453 AromaticContact CD2-CE1 3.88Å; W422-Y453 HydrophobicContact CD2-CE1 3.88Å; W422-Y453 AromaticContact CD2-CG 3.65Å; W422-Y453 HydrophobicContact CD2-CG 3.65Å; W422-Y453 AromaticContact CE2-CD1 3.54Å; W422-Y453 AromaticContact CE2-CE1 3.48Å; W422-Y453 VanDerWaalsContact CE2-CE1 3.48Å; W422-Y453 AromaticContact CE3-CD1 3.97Å; W422-Y453 HydrophobicContact CE3-CD1 3.97Å; W422-Y453 HydrophobicContact CE3-CD2 4.11Å; W422-Y453 AromaticContact CE3-CG 3.73Å; W422-Y453 HydrophobicContact CE3-CG 3.73Å; W422-Y453 AromaticContact CG-CD1 3.45Å; W422-Y453 HydrophobicContact CG-CD1 3.45Å; W422-Y453 VanDerWaalsContact CG-CD1 3.45Å; W422-Y453 HydrophobicContact CG-CE1 4.17Å; W422-Y453 AromaticContact CG-CG 3.96Å; W422-Y453 HydrophobicContact CG-CG 3.96Å; W422-Y453 HydrophobicContact CH2-CD2 4.49Å; W422-Y453 HydrophobicContact CH2-CE2 4.35Å; W422-Y453 HydrophobicContact CZ2-CD1 4.23Å; W422-Y453 AromaticContact CZ2-CE1 3.86Å; W422-Y453 HydrophobicContact CZ2-CE1 3.86Å; W422-Y453 HydrophobicContact CZ2-CE2 4.41Å; W422-Y453 AromaticContact CZ2-CZ 3.99Å; W422-Y453 HydrophobicContact CZ3-CD2 4.19Å; W422-Y453 HydrophobicContact CZ3-CE2 4.49Å; W422-Y453 HydrophobicContact CZ3-CG 4.26Å; W422-Y453 PolarHBondContact N-O 3.05Å; W422-Y453 AromaticContact NE1-CD1 3.59Å; W422-Y453 AromaticContact NE1-CE1 3.49Å; V451-Y453 VanDerWaalsContact C-N 3.32Å; V451-Y453 PolarHBondContact O-N 3.14Å; Y453-T455 HydrophobicContact CD1-CG2 4.19Å; Y453-T455 HydrophobicContact CE1-CG2 3.34Å; Y453-D483 HydrophobicContact CE2-CB 4.13Å; Y453-M484 HydrophobicContact CE2-CG 3.94Å; Y453-C487 HydrophobicContact CD2-CB 3.77Å; Y453-C487 VanDerWaalsContact CD2-SG 3.5Å; Y453-C487 HydrophobicContact CE2-CB 4.5Å
454	I	98.6	Very high	97.9	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	154.5	173.4	60.6	175.1	0	0	0	108.7	V406 A408 N420 F421 V451 Y458 C487 M497	V406-I454 HydrophobicContact CG1-CD1 3.5Å; A408-I454 HydrophobicContact CB-CB 4Å; A408-I454 HydrophobicContact CB-CD1 4.18Å; A408-I454 HydrophobicContact CB-CG2 3.96Å; N420-I454 WeakPolarHBondContact O-CA 3.44Å; F421-I454 HydrophobicContact CB-CG2 4.34Å; V451-I454 HydrophobicContact CG2-CG2 3.69Å; I454-Y458 HydrophobicContact CD1-CG 4.34Å; I454-C487 PolarHBondContact N-SG 3.31Å; I454-C487 VanDerWaalsContact N-SG 3.37Å; I454-C487 PolarHBondContact O-SG 3.34Å; I454-M497 HydrophobicContact CD1-CB 4.2Å; I454-M497 HydrophobicContact CD1-CG 4.31Å; I454-M497 HydrophobicContact CD1-SD 4.34Å; I454-M497 HydrophobicContact CG1-CB 4.48Å; I454-M497 HydrophobicContact CG1-SD 4.05Å
455	T	98.3	Very high	97.9	Very high	3 Å²	3	14.2 Å²	14.2	2%	0.018	8%	0.078	C	C	.	.			trans	-159.4	176.7	-175	167.2	0	0	0	0	109.5	N420 Y453 V457 D483	N420-T455 HydrophobicContact CB-CG2 4.35Å; N420-T455 WeakPolarHBondContact CB-O 3.43Å; N420-T455 PolarHBondContact ND2-O 2.81Å; N420-T455 WeakPolarHBondContact O-CG2 3.38Å; N420-T455 PolarHBondContact O-N 2.88Å; Y453-T455 HydrophobicContact CD1-CG2 4.19Å; Y453-T455 HydrophobicContact CE1-CG2 3.34Å; T455-V457 PolarHBondContact O-N 2.81Å; T455-D483 WeakPolarHBondContact CB-OD2 3.47Å; T455-D483 PolarHBondContact OG1-OD2 3.35Å
456	Q	98.1	Very high	97.8	Very high	19 Å²	19	17.1 Å²	17.1	9%	0.089	9%	0.089	C	C	.	.	S	Bend	trans	60.5	-48.3	-179.9	-66.3	89.6	33.9	0	0	116.7	I384 D385 D387 V388 N420 L508	I384-Q456 CarbonylContact C-O 3.48Å; I384-Q456 WeakPolarHBondContact CA-O 3.47Å; D385-Q456 HydrophobicContact CB-CB 4.37Å; D385-Q456 PolarHBondContact N-O 2Å; D387-Q456 WeakPolarHBondContact OD1-CG 3.17Å; V388-Q456 HydrophobicContact CG2-CB 3.67Å; N420-Q456 VanDerWaalsContact CA-OE1 3.28Å; N420-Q456 HydrophobicContact CB-CB 4.43Å; Q456-L508 HydrophobicContact CB-CD2 4.13Å; Q456-L508 HydrophobicContact CG-CD2 4.15Å
457	V	98.8	Very high	97.5	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	126.4	178.5	55.5	0	0	0	0	111	F382 S383 I384 V388 A408 P409 L411 T455	F382-V457 HydrophobicContact CE2-CG2 3.52Å; F382-V457 HydrophobicContact CZ-CG2 3.55Å; S383-V457 VanDerWaalsContact O-CA 3.29Å; S383-V457 WeakPolarHBondContact O-CA 2.73Å; I384-V457 HydrophobicContact CG1-CB 4.39Å; I384-V457 HydrophobicContact CG1-CG2 4.36Å; V388-V457 HydrophobicContact CG1-CB 4.34Å; V388-V457 HydrophobicContact CG1-CG1 4.26Å; V388-V457 HydrophobicContact CG2-CB 4.13Å; V388-V457 HydrophobicContact CG2-CG1 4.2Å; A408-V457 VanDerWaalsContact CB-O 3.24Å; A408-V457 WeakPolarHBondContact CB-O 3.36Å; P409-V457 HydrophobicContact CG-CB 4.46Å; P409-V457 HydrophobicContact CG-CG1 3.68Å; P409-V457 HydrophobicContact CG-CG2 3.94Å; L411-V457 HydrophobicContact CD1-CG1 3.42Å; L411-V457 VanDerWaalsContact CD1-CG1 3.42Å; L411-V457 HydrophobicContact CG-CG1 4.04Å; T455-V457 PolarHBondContact O-N 2.81Å
458	Y	98.8	Very high	97.1	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	151.1	-179.3	49.9	-95.6	0	0	0	112.2	F381 F382 S383 I407 I454 V460 F486	F381-Y458 HydrophobicContact CE1-CE2 4.33Å; F382-Y458 WeakPolarHBondContact CA-O 3.34Å; F382-Y458 WeakPolarHBondContact CD2-O 3.32Å; S383-Y458 VanDerWaalsContact CB-CZ 3.44Å; S383-Y458 PolarHBondContact N-O 2.89Å; S383-Y458 PolarHBondContact O-N 2.93Å; S383-Y458 PolarHBondContact OG-OH 3.25Å; I407-Y458 CarbonylContact O-C 3.48Å; I407-Y458 WeakPolarHBondContact O-CA 3.43Å; I454-Y458 HydrophobicContact CD1-CG 4.34Å; Y458-V460 HydrophobicContact CD2-CG2 4.03Å; Y458-V460 HydrophobicContact CE2-CG2 4.44Å; Y458-F486 HydrophobicContact CD2-CE1 4.11Å; Y458-F486 AromaticContact CD2-CZ 3.88Å; Y458-F486 HydrophobicContact CD2-CZ 3.88Å; Y458-F486 HydrophobicContact CE1-CE1 4.36Å; Y458-F486 AromaticContact CE2-CE1 3.83Å; Y458-F486 HydrophobicContact CE2-CE1 3.83Å; Y458-F486 HydrophobicContact CE2-CE2 4.12Å; Y458-F486 AromaticContact CE2-CZ 3.5Å; Y458-F486 HydrophobicContact CE2-CZ 3.5Å; Y458-F486 HydrophobicContact CG-CE1 4.48Å; Y458-F486 AromaticContact CZ-CE1 3.97Å
459	L	98.8	Very high	96.9	Very high	2 Å²	2	19.9 Å²	19.9	1%	0.01	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	130	176.2	-171.6	75.7	0	0	0	109.2	Y380 F381 F382 L396 L399 I400 V406 I407	Y380-L459 HydrophobicContact CD1-CD1 4.19Å; Y380-L459 HydrophobicContact CD1-CD2 3.71Å; Y380-L459 HydrophobicContact CD1-CG 3.85Å; Y380-L459 HydrophobicContact CE1-CD2 4.14Å; Y380-L459 HydrophobicContact CG-CD1 4.25Å; Y380-L459 HydrophobicContact CG-CD2 4.38Å; Y380-L459 HydrophobicContact CG-CG 4.42Å; F381-L459 CarbonylContact O-C 3.5Å; F381-L459 WeakPolarHBondContact O-CA 3.48Å; F382-L459 HydrophobicContact CB-CD1 3.71Å; F382-L459 HydrophobicContact CD2-CB 4.06Å; F382-L459 HydrophobicContact CD2-CD1 3.88Å; F382-L459 HydrophobicContact CG-CD1 4.09Å; L396-L459 HydrophobicContact CD1-CD1 3.79Å; L399-L459 HydrophobicContact CB-CB 4.39Å; L399-L459 HydrophobicContact CB-CD2 3.79Å; L399-L459 HydrophobicContact CD1-CB 4.47Å; I400-L459 HydrophobicContact CB-CD2 4.41Å; I400-L459 HydrophobicContact CG1-CD2 3.61Å; V406-L459 WeakPolarHBondContact CA-O 3.45Å; I407-L459 HydrophobicContact CG2-CB 3.88Å; I407-L459 HydrophobicContact CG2-CD2 4.23Å; I407-L459 PolarHBondContact N-O 2.97Å; I407-L459 PolarHBondContact O-N 3.48Å
460	V	98.6	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.9	174.7	-172.3	0	0	0	0	109.5	Y380 F381 V406 Y458 G462 L465 F486	Y380-V460 WeakPolarHBondContact CA-O 3.28Å; F381-V460 HydrophobicContact CB-CB 4.45Å; F381-V460 HydrophobicContact CD1-CG2 4.43Å; F381-V460 PolarHBondContact N-O 3.2Å; F381-V460 PolarHBondContact O-N 2.93Å; V406-V460 HydrophobicContact CG1-CG2 4.29Å; V406-V460 HydrophobicContact CG2-CG1 4.08Å; V406-V460 HydrophobicContact CG2-CG2 4.4Å; Y458-V460 HydrophobicContact CD2-CG2 4.03Å; Y458-V460 HydrophobicContact CE2-CG2 4.44Å; V460-G462 PolarHBondContact O-N 2.97Å; V460-L465 HydrophobicContact CB-CD1 4.42Å; V460-L465 HydrophobicContact CB-CD2 4.48Å; V460-L465 HydrophobicContact CB-CG 4.4Å; V460-L465 HydrophobicContact CG1-CD1 4.21Å; V460-L465 HydrophobicContact CG1-CD2 3.7Å; V460-L465 HydrophobicContact CG1-CG 3.67Å; V460-F486 HydrophobicContact CG2-CZ 4.05Å
461	K	98.1	Very high	95.8	Very high	58 Å²	58	30.5 Å²	30.5	25%	0.252	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	126.3	176.2	-157.9	170.9	-172.4	168.3	0	110.2	Y380 N403 S405 S463 V464 L465	Y380-K461 HydrophobicContact CD1-CB 4.42Å; Y380-K461 HydrophobicContact CD1-CG 4.37Å; Y380-K461 HydrophobicContact CE1-CB 4.3Å; Y380-K461 HydrophobicContact CE1-CG 3.95Å; N403-K461 PolarHBondContact OD1-NZ 2.99Å; S405-K461 PolarHBondContact O-N 3.45Å; K461-S463 PolarHBondContact O-N 2.88Å; K461-V464 HydrophobicContact CB-CG2 4.08Å; K461-V464 WeakPolarHBondContact O-CB 3.15Å; K461-V464 PolarHBondContact O-N 3.23Å; K461-L465 PolarHBondContact O-N 3.47Å
462	G	97.5	Very high	95.2	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-59.8	-31.4	-176.6	0	0	0	0	0	113.4	D379 V460 V464 L465 R466	D379-G462 WeakPolarHBondContact O-CA 3.15Å; D379-G462 PolarHBondContact O-N 3.42Å; V460-G462 PolarHBondContact O-N 2.97Å; G462-V464 VanDerWaalsContact C-N 3.31Å; G462-V464 PolarHBondContact O-N 3.13Å; G462-L465 WeakPolarHBondContact O-CB 3.23Å; G462-L465 PolarHBondContact O-N 3.4Å; G462-R466 WeakPolarHBondContact O-CG 3.35Å; G462-R466 PolarHBondContact O-N 2.62Å; G462-R466 PolarHBondContact O-NH1 2.82Å
463	S	96.5	Very high	94.8	Very high	58 Å²	58	34.1 Å²	34.1	41%	0.406	19%	0.186	S	C	.	.	H	α-helix	trans	-64.5	-33.7	174.4	60.9	0	0	0	0	113	K461 S467	K461-S463 PolarHBondContact O-N 2.88Å; S463-S467 WeakPolarHBondContact O-CB 3.48Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 VanDerWaalsContact O-N 3.09Å; S463-S467 PolarHBondContact O-OG 2.99Å
464	V	95.8	Very high	94.5	Very high	13 Å²	13	33.6 Å²	33.6	8%	0.079	19%	0.185	C	C	.	.	H	α-helix	trans	-71.2	-40.7	176.5	177.3	0	0	0	0	110	K461 G462 R466 S467 K468 L469 V495	K461-V464 HydrophobicContact CB-CG2 4.08Å; K461-V464 WeakPolarHBondContact O-CB 3.15Å; K461-V464 PolarHBondContact O-N 3.23Å; G462-V464 VanDerWaalsContact C-N 3.31Å; G462-V464 PolarHBondContact O-N 3.13Å; V464-R466 VanDerWaalsContact C-N 3.33Å; V464-R466 PolarHBondContact O-N 2.76Å; V464-S467 PolarHBondContact O-N 3.36Å; V464-K468 HydrophobicContact CG1-CB 4.38Å; V464-K468 PolarHBondContact O-N 3.08Å; V464-K468 VanDerWaalsContact O-N 3.15Å; V464-L469 HydrophobicContact CG1-CD1 3.93Å; V464-L469 HydrophobicContact CG1-CG 4.09Å; V464-L469 PolarHBondContact O-N 2.86Å; V464-L469 VanDerWaalsContact O-N 3.08Å; V464-V495 HydrophobicContact CG1-CG1 4.15Å; V464-V495 HydrophobicContact CG1-CG2 4.15Å
465	L	95.8	Very high	94.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-59.3	-41.6	173.9	-68.5	178.7	0	0	0	112.7	I369 C372 Q373 F381 V460 K461 G462 L469 S470 L474	I369-L465 HydrophobicContact CD1-CD2 3.73Å; I369-L465 HydrophobicContact CG1-CD1 3.9Å; I369-L465 HydrophobicContact CG1-CD2 3.77Å; C372-L465 HydrophobicContact CB-CD1 4.39Å; Q373-L465 HydrophobicContact CG-CB 3.7Å; Q373-L465 PolarHBondContact NE2-O 2.57Å; F381-L465 HydrophobicContact CB-CD1 3.67Å; F381-L465 HydrophobicContact CG-CD1 4.3Å; V460-L465 HydrophobicContact CB-CD1 4.42Å; V460-L465 HydrophobicContact CB-CD2 4.48Å; V460-L465 HydrophobicContact CB-CG 4.4Å; V460-L465 HydrophobicContact CG1-CD1 4.21Å; V460-L465 HydrophobicContact CG1-CD2 3.7Å; V460-L465 HydrophobicContact CG1-CG 3.67Å; K461-L465 PolarHBondContact O-N 3.47Å; G462-L465 WeakPolarHBondContact O-CB 3.23Å; G462-L465 PolarHBondContact O-N 3.4Å; L465-L469 HydrophobicContact CD2-CB 4.48Å; L465-L469 HydrophobicContact CD2-CD1 4.01Å; L465-L469 CarbonylContact O-C 3.5Å; L465-S470 WeakPolarHBondContact O-CA 3.48Å; L465-S470 PolarHBondContact O-N 3.19Å; L465-L474 HydrophobicContact CD2-CD1 4.15Å
466	R	95	Very high	93.9	Very high	80 Å²	80	37.1 Å²	37.1	30%	0.302	21%	0.206	S	C	.	.	H	α-helix	trans	-81.7	-13.5	-179.6	-70.5	-172.7	-66.9	-82.6	2.9	114.8	Q373 N375 C378 G462 V464	Q373-R466 WeakPolarHBondContact O-CD 3.25Å; Q373-R466 VanDerWaalsContact O-CG 3.26Å; Q373-R466 WeakPolarHBondContact O-CG 3.44Å; N375-R466 PolarHBondContact O-NH1 3.05Å; C378-R466 VanDerWaalsContact O-CZ 3.29Å; C378-R466 PolarHBondContact O-NH1 2.64Å; C378-R466 PolarHBondContact O-NH2 2.98Å; G462-R466 WeakPolarHBondContact O-CG 3.35Å; G462-R466 PolarHBondContact O-N 2.62Å; G462-R466 PolarHBondContact O-NH1 2.82Å; V464-R466 VanDerWaalsContact C-N 3.33Å; V464-R466 PolarHBondContact O-N 2.76Å
467	S	92.5	Very high	93.4	Very high	70 Å²	70	39.3 Å²	39.3	49%	0.49	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-91.7	178.7	58.4	0	0	0	0	110.3	S463 V464 L469 S470	S463-S467 WeakPolarHBondContact O-CB 3.48Å; S463-S467 PolarHBondContact O-N 3.46Å; S463-S467 VanDerWaalsContact O-N 3.09Å; S463-S467 PolarHBondContact O-OG 2.99Å; V464-S467 PolarHBondContact O-N 3.36Å; S467-L469 VanDerWaalsContact C-N 3.28Å; S467-L469 PolarHBondContact O-N 3.33Å; S467-S470 WeakPolarHBondContact O-CB 3.23Å; S467-S470 PolarHBondContact O-N 2.8Å; S467-S470 PolarHBondContact O-OG 3.07Å
468	K	89.5	Confident	92.6	Very high	72 Å²	72	48.2 Å²	48.2	31%	0.313	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-34.4	-173.3	-67	-66.9	-175.8	176.5	0	114.1	E38 V464 V495	E38-K468 IonicContact OE1-NZ 2.81Å; E38-K468 VanDerWaalsContact OE2-CE 3.32Å; E38-K468 WeakPolarHBondContact OE2-CE 3.14Å; E38-K468 IonicContact OE2-NZ 3.24Å; E38-K468 PolarHBondContact OE2-NZ 3.5Å; V464-K468 HydrophobicContact CG1-CB 4.38Å; V464-K468 PolarHBondContact O-N 3.08Å; V464-K468 VanDerWaalsContact O-N 3.15Å; K468-V495 HydrophobicContact CB-CG2 4.08Å; K468-V495 HydrophobicContact CG-CG2 4.34Å
469	L	92.5	Very high	91.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	7	-174.9	-52.9	177.7	0	0	0	113.3	Q373 V464 L465 S467 Q471 A472 L474 I490 Q493	Q373-L469 PolarHBondContact NE2-O 3.21Å; V464-L469 HydrophobicContact CG1-CD1 3.93Å; V464-L469 HydrophobicContact CG1-CG 4.09Å; V464-L469 PolarHBondContact O-N 2.86Å; V464-L469 VanDerWaalsContact O-N 3.08Å; L465-L469 HydrophobicContact CD2-CB 4.48Å; L465-L469 HydrophobicContact CD2-CD1 4.01Å; L465-L469 CarbonylContact O-C 3.5Å; S467-L469 VanDerWaalsContact C-N 3.28Å; S467-L469 PolarHBondContact O-N 3.33Å; L469-Q471 VanDerWaalsContact C-N 3.32Å; L469-Q471 PolarHBondContact O-N 3.18Å; L469-A472 PolarHBondContact O-N 3.15Å; L469-L474 HydrophobicContact CB-CD1 4.43Å; L469-L474 HydrophobicContact CB-CD2 4.36Å; L469-L474 HydrophobicContact CD1-CD2 4.4Å; L469-L474 HydrophobicContact CD2-CD2 4.36Å; L469-I490 HydrophobicContact CD1-CG1 4.08Å; L469-I490 HydrophobicContact CD2-CG1 4.27Å; L469-Q493 HydrophobicContact CD2-CB 3.92Å; L469-Q493 HydrophobicContact CD2-CG 3.84Å
470	S	89.4	Confident	91.2	Very high	52 Å²	52	55.8 Å²	55.8	36%	0.364	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.5	-170.5	60.1	0	0	0	0	115	L465 S467	L465-S470 WeakPolarHBondContact O-CA 3.48Å; L465-S470 PolarHBondContact O-N 3.19Å; S467-S470 WeakPolarHBondContact O-CB 3.23Å; S467-S470 PolarHBondContact O-N 2.8Å; S467-S470 PolarHBondContact O-OG 3.07Å
471	Q	84.1	Confident	90.9	Very high	182 Å²	182	59.1 Å²	59.1	85%	0.85	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.1	4.8	-178.8	-60.3	-59.5	-53.5	0	0	112.6	L469	L469-Q471 VanDerWaalsContact C-N 3.32Å; L469-Q471 PolarHBondContact O-N 3.18Å
472	A	85.3	Confident	90.7	Very high	26 Å²	26	57 Å²	57	22%	0.215	33%	0.33	C	S	.	.			trans	-94	135.4	-171.5	0	0	0	0	0	111.2	L469 L474 T489	L469-A472 PolarHBondContact O-N 3.15Å; A472-L474 HydrophobicContact CB-CD2 4.29Å; A472-L474 PolarHBondContact O-N 3.07Å; A472-T489 HydrophobicContact CB-CG2 3.55Å
473	S	90.2	Very high	90.6	Very high	66 Å²	66	57.5 Å²	57.5	46%	0.462	33%	0.333	S	S	.	.			trans	-75.8	103.2	166.6	-178.5	0	0	0	0	108.5	V476 T489	S473-V476 PolarHBondContact OG-O 3.31Å; S473-V476 VanDerWaalsContact OG-O 3.09Å; S473-T489 PolarHBondContact O-OG1 3.27Å
474	L	92.4	Very high	90.6	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.026	32%	0.32	C	S	.	.	S	Bend	trans	-81	-26.8	-170.9	-70.9	175.4	0	0	0	113.6	I369 L465 L469 A472 V485 F486 T489 I490	I369-L474 HydrophobicContact CD1-CD1 3.5Å; I369-L474 HydrophobicContact CG1-CD1 4.2Å; I369-L474 HydrophobicContact CG2-CD1 4.29Å; L465-L474 HydrophobicContact CD2-CD1 4.15Å; L469-L474 HydrophobicContact CB-CD1 4.43Å; L469-L474 HydrophobicContact CB-CD2 4.36Å; L469-L474 HydrophobicContact CD1-CD2 4.4Å; L469-L474 HydrophobicContact CD2-CD2 4.36Å; A472-L474 HydrophobicContact CB-CD2 4.29Å; A472-L474 PolarHBondContact O-N 3.07Å; L474-V485 CarbonylContact O-C 3.46Å; L474-F486 HydrophobicContact CB-CD2 4.33Å; L474-F486 WeakPolarHBondContact O-CA 3.37Å; L474-F486 WeakPolarHBondContact O-CB 3.19Å; L474-F486 PolarHBondContact O-N 3.13Å; L474-T489 HydrophobicContact CD2-CG2 3.77Å; L474-I490 HydrophobicContact CD2-CG1 4.47Å
475	F	93.6	Very high	90.6	Very high	2 Å²	2	55.5 Å²	55.5	1%	0.009	32%	0.317	C	S	.	.	S	Bend	trans	-128.3	-8.9	-173	-60.1	-74.7	0	0	0	114.3	E362 R365 I369 P482 F486	E362-F475 HydrophobicContact CB-CB 4.3Å; R365-F475 HydrophobicContact CB-CB 4.4Å; R365-F475 HydrophobicContact CB-CD1 3.91Å; R365-F475 HydrophobicContact CB-CD2 3.66Å; R365-F475 HydrophobicContact CB-CE1 4.04Å; R365-F475 HydrophobicContact CB-CE2 3.79Å; R365-F475 HydrophobicContact CB-CG 3.72Å; R365-F475 HydrophobicContact CB-CZ 3.99Å; I369-F475 HydrophobicContact CB-CE2 4.18Å; I369-F475 HydrophobicContact CD1-CE2 3.82Å; I369-F475 HydrophobicContact CD1-CZ 4.02Å; I369-F475 HydrophobicContact CG2-CE2 3.95Å; F475-P482 HydrophobicContact CB-CB 4.38Å; F475-P482 HydrophobicContact CD1-CB 4.35Å; F475-F486 HydrophobicContact CD1-CB 3.89Å; F475-F486 HydrophobicContact CD1-CD2 4.36Å; F475-F486 HydrophobicContact CD1-CG 4.46Å; F475-F486 HydrophobicContact CE1-CB 3.67Å; F475-F486 AromaticContact CE1-CD2 3.51Å; F475-F486 HydrophobicContact CE1-CD2 3.51Å; F475-F486 HydrophobicContact CE1-CE2 4.31Å; F475-F486 AromaticContact CE1-CG 3.76Å; F475-F486 HydrophobicContact CE1-CG 3.76Å; F475-F486 HydrophobicContact CE2-CD2 4.42Å; F475-F486 AromaticContact CZ-CD2 3.55Å; F475-F486 HydrophobicContact CZ-CD2 3.55Å; F475-F486 HydrophobicContact CZ-CE2 4Å; F475-F486 HydrophobicContact CZ-CG 4.26Å
476	V	90.6	Very high	90.6	Very high	75 Å²	75	55.5 Å²	55.5	46%	0.455	32%	0.317	S	S	.	.			trans	-109.1	112.6	-172	-174.3	0	0	0	0	110.6	E362 S473	E362-V476 HydrophobicContact CB-CG2 4.16Å; E362-V476 HydrophobicContact CG-CG2 4Å; S473-V476 PolarHBondContact OG-O 3.31Å; S473-V476 VanDerWaalsContact OG-O 3.09Å
477	D	87.7	Confident	90.8	Very high	64 Å²	64	51.7 Å²	51.7	34%	0.342	30%	0.302	S	S	.	.			trans	-150.4	138.9	163	-164	-6.2	0	0	0	109.3	G479 M480 V485 R488	D477-G479 PolarHBondContact O-N 3.02Å; D477-M480 HydrophobicContact CB-CB 4.45Å; D477-M480 HydrophobicContact CB-CE 4.08Å; D477-M480 PolarHBondContact O-N 3.01Å; D477-M480 WeakPolarHBondContact OD2-CE 3.45Å; D477-V485 HydrophobicContact CB-CG1 4.09Å; D477-V485 HydrophobicContact CB-CG2 3.57Å; D477-R488 IonicContact OD2-CZ 3.53Å; D477-R488 VanDerWaalsContact OD2-CZ 3.22Å; D477-R488 IonicContact OD2-NH1 3.46Å; D477-R488 PolarHBondContact OD2-NH1 2.74Å; D477-R488 IonicContact OD2-NH2 3.75Å; D477-R488 PolarHBondContact OD2-NH2 2.96Å
478	E	82.8	Confident	90.9	Very high	188 Å²	188	51.6 Å²	51.6	88%	0.879	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	124.3	-171.4	-74.9	-173.1	172.4	0	0	111.8	M480	E478-M480 VanDerWaalsContact C-N 3.26Å; E478-M480 PolarHBondContact O-N 3.14Å
479	G	80.9	Confident	91.2	Very high	91 Å²	91	49 Å²	49	94%	0.938	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.1	10.3	175	0	0	0	0	0	115.1	D477	D477-G479 PolarHBondContact O-N 3.02Å
480	M	87.1	Confident	91.4	Very high	70 Å²	70	49 Å²	49	35%	0.345	28%	0.281	S	S	.	.	S	Bend	trans	-111	146.4	173.4	-88.8	176.9	-85.2	0	0	111.9	D477 E478 V485 R488	D477-M480 HydrophobicContact CB-CB 4.45Å; D477-M480 HydrophobicContact CB-CE 4.08Å; D477-M480 PolarHBondContact O-N 3.01Å; D477-M480 WeakPolarHBondContact OD2-CE 3.45Å; E478-M480 VanDerWaalsContact C-N 3.26Å; E478-M480 PolarHBondContact O-N 3.14Å; M480-V485 HydrophobicContact CB-CG2 3.67Å; M480-R488 PolarHBondContact SD-NH1 2.72Å
481	D	91.9	Very high	91.6	Very high	69 Å²	69	49 Å²	49	37%	0.369	27%	0.273	S	S	.	.			trans	-60.2	132.8	173	169.8	-99	0	0	0	111.3	D483 M484 V485	D481-D483 VanDerWaalsContact C-N 3.29Å; D481-D483 PolarHBondContact O-N 3.4Å; D481-D483 WeakPolarHBondContact OD1-CB 3.33Å; D481-D483 PolarHBondContact OD1-N 3.19Å; D481-D483 VanDerWaalsContact OD1-N 3.15Å; D481-M484 HydrophobicContact CB-CB 4.15Å; D481-M484 HydrophobicContact CB-CG 3.99Å; D481-M484 HydrophobicContact CB-SD 4.16Å; D481-M484 WeakPolarHBondContact O-CB 3.27Å; D481-M484 PolarHBondContact O-N 3.28Å; D481-M484 VanDerWaalsContact O-N 3.09Å; D481-M484 PolarHBondContact OD1-N 2.8Å; D481-V485 WeakPolarHBondContact O-CG2 3.31Å; D481-V485 PolarHBondContact O-N 3.14Å
482	P	94.3	Very high	92.1	Very high	15 Å²	15	45.4 Å²	45.4	10%	0.097	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-37.5	-176.3	-28	35.7	0	0	0	114.3	E362 F475 V485 F486	E362-P482 HydrophobicContact CB-CG 4.16Å; F475-P482 HydrophobicContact CB-CB 4.38Å; F475-P482 HydrophobicContact CD1-CB 4.35Å; P482-V485 PolarHBondContact O-N 2.91Å; P482-F486 WeakPolarHBondContact O-CB 3.46Å; P482-F486 PolarHBondContact O-N 3.06Å
483	D	95	Very high	92.5	Very high	9 Å²	9	48.4 Å²	48.4	5%	0.048	27%	0.269	C	S	.	.	H	α-helix	trans	-71.4	-36.5	178.7	-72.3	-26.5	0	0	0	111.9	Y453 T455 D481 V485 F486 C487	Y453-D483 HydrophobicContact CE2-CB 4.13Å; T455-D483 WeakPolarHBondContact CB-OD2 3.47Å; T455-D483 PolarHBondContact OG1-OD2 3.35Å; D481-D483 VanDerWaalsContact C-N 3.29Å; D481-D483 PolarHBondContact O-N 3.4Å; D481-D483 WeakPolarHBondContact OD1-CB 3.33Å; D481-D483 PolarHBondContact OD1-N 3.19Å; D481-D483 VanDerWaalsContact OD1-N 3.15Å; D483-V485 VanDerWaalsContact C-N 3.35Å; D483-F486 PolarHBondContact O-N 2.83Å; D483-C487 WeakPolarHBondContact O-CB 3.48Å; D483-C487 PolarHBondContact O-N 3.4Å; D483-C487 PolarHBondContact O-SG 3.15Å
484	M	95.3	Very high	92.6	Very high	29 Å²	29	47.2 Å²	47.2	14%	0.143	27%	0.267	C	S	.	.	H	α-helix	trans	-62.9	-42.4	171.7	-70.5	-173.2	63.8	0	0	111.5	W422 F430 Y453 D481 R488	W422-M484 HydrophobicContact CH2-CE 4.45Å; W422-M484 HydrophobicContact CH2-CG 4.21Å; W422-M484 HydrophobicContact CH2-SD 4.14Å; F430-M484 HydrophobicContact CD1-CE 3.68Å; F430-M484 HydrophobicContact CD1-SD 4.17Å; F430-M484 HydrophobicContact CE1-CE 3.76Å; F430-M484 HydrophobicContact CE1-SD 4.12Å; F430-M484 HydrophobicContact CG-CE 4.21Å; F430-M484 HydrophobicContact CZ-CE 4.34Å; Y453-M484 HydrophobicContact CE2-CG 3.94Å; D481-M484 HydrophobicContact CB-CB 4.15Å; D481-M484 HydrophobicContact CB-CG 3.99Å; D481-M484 HydrophobicContact CB-SD 4.16Å; D481-M484 WeakPolarHBondContact O-CB 3.27Å; D481-M484 PolarHBondContact O-N 3.28Å; D481-M484 VanDerWaalsContact O-N 3.09Å; D481-M484 PolarHBondContact OD1-N 2.8Å; M484-R488 VanDerWaalsContact O-CB 3.25Å; M484-R488 WeakPolarHBondContact O-CB 3.34Å; M484-R488 PolarHBondContact O-N 3Å
485	V	96.2	Very high	92.8	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.006	27%	0.269	C	S	.	.	H	α-helix	trans	-61.5	-47.6	175.4	179.5	0	0	0	0	110	L474 D477 M480 D481 P482 D483 C487 R488 T489	L474-V485 CarbonylContact O-C 3.46Å; D477-V485 HydrophobicContact CB-CG1 4.09Å; D477-V485 HydrophobicContact CB-CG2 3.57Å; M480-V485 HydrophobicContact CB-CG2 3.67Å; D481-V485 WeakPolarHBondContact O-CG2 3.31Å; D481-V485 PolarHBondContact O-N 3.14Å; P482-V485 PolarHBondContact O-N 2.91Å; D483-V485 VanDerWaalsContact C-N 3.35Å; V485-C487 PolarHBondContact O-N 3.43Å; V485-R488 PolarHBondContact O-N 2.78Å; V485-T489 WeakPolarHBondContact O-CB 3.45Å; V485-T489 PolarHBondContact O-N 2.92Å; V485-T489 PolarHBondContact O-OG1 3.19Å
486	F	97.2	Very high	93.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-55.1	-54.8	177.6	173.4	-102.4	0	0	0	112.2	I369 Y458 V460 L474 F475 P482 D483 R488 T489 I490	I369-F486 HydrophobicContact CD1-CE2 4.35Å; Y458-F486 HydrophobicContact CD2-CE1 4.11Å; Y458-F486 AromaticContact CD2-CZ 3.88Å; Y458-F486 HydrophobicContact CD2-CZ 3.88Å; Y458-F486 HydrophobicContact CE1-CE1 4.36Å; Y458-F486 AromaticContact CE2-CE1 3.83Å; Y458-F486 HydrophobicContact CE2-CE1 3.83Å; Y458-F486 HydrophobicContact CE2-CE2 4.12Å; Y458-F486 AromaticContact CE2-CZ 3.5Å; Y458-F486 HydrophobicContact CE2-CZ 3.5Å; Y458-F486 HydrophobicContact CG-CE1 4.48Å; Y458-F486 AromaticContact CZ-CE1 3.97Å; V460-F486 HydrophobicContact CG2-CZ 4.05Å; L474-F486 HydrophobicContact CB-CD2 4.33Å; L474-F486 WeakPolarHBondContact O-CA 3.37Å; L474-F486 WeakPolarHBondContact O-CB 3.19Å; L474-F486 PolarHBondContact O-N 3.13Å; F475-F486 HydrophobicContact CD1-CB 3.89Å; F475-F486 HydrophobicContact CD1-CD2 4.36Å; F475-F486 HydrophobicContact CD1-CG 4.46Å; F475-F486 HydrophobicContact CE1-CB 3.67Å; F475-F486 AromaticContact CE1-CD2 3.51Å; F475-F486 HydrophobicContact CE1-CD2 3.51Å; F475-F486 HydrophobicContact CE1-CE2 4.31Å; F475-F486 AromaticContact CE1-CG 3.76Å; F475-F486 HydrophobicContact CE1-CG 3.76Å; F475-F486 HydrophobicContact CE2-CD2 4.42Å; F475-F486 AromaticContact CZ-CD2 3.55Å; F475-F486 HydrophobicContact CZ-CD2 3.55Å; F475-F486 HydrophobicContact CZ-CE2 4Å; F475-F486 HydrophobicContact CZ-CG 4.26Å; P482-F486 WeakPolarHBondContact O-CB 3.46Å; P482-F486 PolarHBondContact O-N 3.06Å; D483-F486 PolarHBondContact O-N 2.83Å; F486-R488 VanDerWaalsContact C-N 3.35Å; F486-R488 PolarHBondContact O-N 3.24Å; F486-T489 PolarHBondContact O-N 3.05Å; F486-I490 HydrophobicContact CD1-CD1 3.99Å; F486-I490 HydrophobicContact CD2-CD1 3.94Å; F486-I490 HydrophobicContact CE1-CD1 3.5Å; F486-I490 VanDerWaalsContact CE1-CD1 3.5Å; F486-I490 HydrophobicContact CE2-CD1 3.46Å; F486-I490 VanDerWaalsContact CE2-CD1 3.46Å; F486-I490 HydrophobicContact CE2-CG1 4.46Å; F486-I490 HydrophobicContact CG-CD1 4.2Å; F486-I490 HydrophobicContact CZ-CD1 3.21Å; F486-I490 WeakPolarHBondContact O-CG1 3.41Å; F486-I490 PolarHBondContact O-N 2.71Å
487	C	97.7	Very high	93.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.7	-42.2	-179.3	-70.1	0	0	0	0	111.8	Y453 I454 D483 V485 I490 R491 M497	Y453-C487 HydrophobicContact CD2-CB 3.77Å; Y453-C487 VanDerWaalsContact CD2-SG 3.5Å; Y453-C487 HydrophobicContact CE2-CB 4.5Å; I454-C487 PolarHBondContact N-SG 3.31Å; I454-C487 VanDerWaalsContact N-SG 3.37Å; I454-C487 PolarHBondContact O-SG 3.34Å; D483-C487 WeakPolarHBondContact O-CB 3.48Å; D483-C487 PolarHBondContact O-N 3.4Å; D483-C487 PolarHBondContact O-SG 3.15Å; V485-C487 PolarHBondContact O-N 3.43Å; C487-I490 PolarHBondContact O-N 3.25Å; C487-R491 VanDerWaalsContact O-CG 3.26Å; C487-R491 WeakPolarHBondContact O-CG 3.46Å; C487-R491 PolarHBondContact O-N 2.99Å; C487-R491 VanDerWaalsContact O-N 3.09Å; C487-R491 PolarHBondContact O-NH1 3.31Å; C487-M497 HydrophobicContact CB-CE 3.9Å; C487-M497 HydrophobicContact CB-SD 4.09Å
488	R	95.6	Very high	93.9	Very high	68 Å²	68	43.2 Å²	43.2	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-63.3	-47.9	178.2	-175.5	-169.8	63.7	-174.3	-1.5	111.5	D477 M480 M484 V485 F486 I490 R491 D492	D477-R488 IonicContact OD2-CZ 3.53Å; D477-R488 VanDerWaalsContact OD2-CZ 3.22Å; D477-R488 IonicContact OD2-NH1 3.46Å; D477-R488 PolarHBondContact OD2-NH1 2.74Å; D477-R488 IonicContact OD2-NH2 3.75Å; D477-R488 PolarHBondContact OD2-NH2 2.96Å; M480-R488 PolarHBondContact SD-NH1 2.72Å; M484-R488 VanDerWaalsContact O-CB 3.25Å; M484-R488 WeakPolarHBondContact O-CB 3.34Å; M484-R488 PolarHBondContact O-N 3Å; V485-R488 PolarHBondContact O-N 2.78Å; F486-R488 VanDerWaalsContact C-N 3.35Å; F486-R488 PolarHBondContact O-N 3.24Å; R488-I490 VanDerWaalsContact C-N 3.31Å; R488-I490 PolarHBondContact O-N 3.07Å; R488-R491 VanDerWaalsContact CA-CZ 3.47Å; R488-R491 VanDerWaalsContact CA-NH2 3.33Å; R488-R491 PolarHBondContact O-N 2.99Å; R488-R491 VanDerWaalsContact O-N 3.16Å; R488-D492 VanDerWaalsContact O-CG 3.3Å; R488-D492 PolarHBondContact O-N 3.04Å
489	T	95.3	Very high	94.7	Very high	16 Å²	16	34.2 Å²	34.2	10%	0.098	20%	0.199	C	C	.	.	H	α-helix	trans	-61.4	-39.8	-179.8	-63.5	0	0	0	0	111.6	A472 S473 L474 V485 F486 D492 Q493	A472-T489 HydrophobicContact CB-CG2 3.55Å; S473-T489 PolarHBondContact O-OG1 3.27Å; L474-T489 HydrophobicContact CD2-CG2 3.77Å; V485-T489 WeakPolarHBondContact O-CB 3.45Å; V485-T489 PolarHBondContact O-N 2.92Å; V485-T489 PolarHBondContact O-OG1 3.19Å; F486-T489 PolarHBondContact O-N 3.05Å; T489-D492 PolarHBondContact O-N 3.49Å; T489-Q493 WeakPolarHBondContact O-CG 3.37Å; T489-Q493 PolarHBondContact O-N 3.43Å
490	I	96.3	Very high	95.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-44.8	174.8	-72.2	175.6	0	0	0	111.6	V406 L469 L474 F486 C487 R488 D492 Q493 G494 V495 M497	V406-I490 HydrophobicContact CG1-CD1 4.5Å; V406-I490 HydrophobicContact CG2-CD1 4.2Å; V406-I490 HydrophobicContact CG2-CG2 4.4Å; L469-I490 HydrophobicContact CD1-CG1 4.08Å; L469-I490 HydrophobicContact CD2-CG1 4.27Å; L474-I490 HydrophobicContact CD2-CG1 4.47Å; F486-I490 HydrophobicContact CD1-CD1 3.99Å; F486-I490 HydrophobicContact CD2-CD1 3.94Å; F486-I490 HydrophobicContact CE1-CD1 3.5Å; F486-I490 VanDerWaalsContact CE1-CD1 3.5Å; F486-I490 HydrophobicContact CE2-CD1 3.46Å; F486-I490 VanDerWaalsContact CE2-CD1 3.46Å; F486-I490 HydrophobicContact CE2-CG1 4.46Å; F486-I490 HydrophobicContact CG-CD1 4.2Å; F486-I490 HydrophobicContact CZ-CD1 3.21Å; F486-I490 WeakPolarHBondContact O-CG1 3.41Å; F486-I490 PolarHBondContact O-N 2.71Å; C487-I490 PolarHBondContact O-N 3.25Å; R488-I490 VanDerWaalsContact C-N 3.31Å; R488-I490 PolarHBondContact O-N 3.07Å; I490-D492 VanDerWaalsContact C-N 3.34Å; I490-D492 PolarHBondContact O-N 3.21Å; I490-Q493 PolarHBondContact O-N 3.03Å; I490-G494 PolarHBondContact O-N 3.32Å; I490-V495 HydrophobicContact CG2-CB 3.81Å; I490-V495 HydrophobicContact CG2-CG1 3.97Å; I490-V495 WeakPolarHBondContact CG2-O 3.47Å; I490-V495 PolarHBondContact O-N 3.46Å; I490-M497 HydrophobicContact CB-CG 4.5Å; I490-M497 HydrophobicContact CB-SD 4.13Å; I490-M497 HydrophobicContact CD1-SD 4.2Å; I490-M497 HydrophobicContact CG2-CE 4.45Å; I490-M497 HydrophobicContact CG2-CG 3.63Å; I490-M497 HydrophobicContact CG2-SD 3.89Å
491	R	95.3	Very high	96.1	Very high	54 Å²	54	27 Å²	27	20%	0.204	14%	0.141	C	C	.	.	H	α-helix	trans	-62.5	-40.6	176.8	-68.3	-177.2	-43	-103.5	3.1	112.1	P452 C487 R488 Q493 G494 M497	P452-R491 WeakPolarHBondContact O-CD 3.43Å; P452-R491 PolarHBondContact O-NH1 3.36Å; C487-R491 VanDerWaalsContact O-CG 3.26Å; C487-R491 WeakPolarHBondContact O-CG 3.46Å; C487-R491 PolarHBondContact O-N 2.99Å; C487-R491 VanDerWaalsContact O-N 3.09Å; C487-R491 PolarHBondContact O-NH1 3.31Å; R488-R491 VanDerWaalsContact CA-CZ 3.47Å; R488-R491 VanDerWaalsContact CA-NH2 3.33Å; R488-R491 PolarHBondContact O-N 2.99Å; R488-R491 VanDerWaalsContact O-N 3.16Å; R491-Q493 PolarHBondContact O-N 3.38Å; R491-G494 WeakPolarHBondContact O-CA 3.21Å; R491-G494 PolarHBondContact O-N 3.3Å; R491-M497 HydrophobicContact CG-CE 3.67Å
492	D	93	Very high	96.3	Very high	105 Å²	105	27.6 Å²	27.6	56%	0.561	14%	0.138	S	C	*	.	H	α-helix	trans	-64.2	-27	178.9	-71.6	-9	0	0	0	112	R488 T489 I490 G494	R488-D492 VanDerWaalsContact O-CG 3.3Å; R488-D492 PolarHBondContact O-N 3.04Å; T489-D492 PolarHBondContact O-N 3.49Å; I490-D492 VanDerWaalsContact C-N 3.34Å; I490-D492 PolarHBondContact O-N 3.21Å; D492-G494 VanDerWaalsContact C-N 3.3Å
493	Q	93.6	Very high	96.4	Very high	90 Å²	90	30.6 Å²	30.6	42%	0.421	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86	3	172.5	-61.7	-55	-47.5	0	0	113.7	L469 T489 I490 R491 V495	L469-Q493 HydrophobicContact CD2-CB 3.92Å; L469-Q493 HydrophobicContact CD2-CG 3.84Å; T489-Q493 WeakPolarHBondContact O-CG 3.37Å; T489-Q493 PolarHBondContact O-N 3.43Å; I490-Q493 PolarHBondContact O-N 3.03Å; R491-Q493 PolarHBondContact O-N 3.38Å; Q493-V495 VanDerWaalsContact C-N 3.25Å; Q493-V495 HydrophobicContact CB-CG2 4.41Å; Q493-V495 PolarHBondContact O-N 3.11Å
494	G	93.6	Very high	96.5	Very high	40 Å²	40	38 Å²	38	41%	0.412	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.9	20.3	178.1	0	0	0	0	0	114.4	I490 R491 D492	I490-G494 PolarHBondContact O-N 3.32Å; R491-G494 WeakPolarHBondContact O-CA 3.21Å; R491-G494 PolarHBondContact O-N 3.3Å; D492-G494 VanDerWaalsContact C-N 3.3Å
495	V	96.9	Very high	96.6	Very high	10 Å²	10	36.7 Å²	36.7	6%	0.061	18%	0.181	C	C	.	.			trans	-89.2	132.1	176.1	176	0	0	0	0	108.7	V406 V464 K468 I490 Q493	V406-V495 HydrophobicContact CG2-CG1 3.93Å; V464-V495 HydrophobicContact CG1-CG1 4.15Å; V464-V495 HydrophobicContact CG1-CG2 4.15Å; K468-V495 HydrophobicContact CB-CG2 4.08Å; K468-V495 HydrophobicContact CG-CG2 4.34Å; I490-V495 HydrophobicContact CG2-CB 3.81Å; I490-V495 HydrophobicContact CG2-CG1 3.97Å; I490-V495 WeakPolarHBondContact CG2-O 3.47Å; I490-V495 PolarHBondContact O-N 3.46Å; Q493-V495 VanDerWaalsContact C-N 3.25Å; Q493-V495 HydrophobicContact CB-CG2 4.41Å; Q493-V495 PolarHBondContact O-N 3.11Å
496	F	97.9	Very high	96.7	Very high	21 Å²	21	37.4 Å²	37.4	9%	0.092	19%	0.188	C	C	.	.			trans	-80	143	177.6	-69.1	-7.4	0	0	0	111.4	D41 N450 F498	D41-F496 HydrophobicContact CB-CB 4.14Å; D41-F496 HydrophobicContact CB-CD1 4.08Å; D41-F496 HydrophobicContact CB-CD2 3.47Å; D41-F496 VanDerWaalsContact CB-CD2 3.47Å; D41-F496 HydrophobicContact CB-CE1 4.36Å; D41-F496 HydrophobicContact CB-CE2 3.78Å; D41-F496 HydrophobicContact CB-CG 3.62Å; D41-F496 HydrophobicContact CB-CZ 4.22Å; D41-F496 PolarHBondContact OD2-N 2.85Å; N450-F496 WeakPolarHBondContact ND2-CD1 3.21Å; N450-F496 WeakPolarHBondContact ND2-CD2 3.37Å; N450-F496 WeakPolarHBondContact ND2-CE2 3.12Å; N450-F496 WeakPolarHBondContact ND2-CG 3.43Å; F496-F498 HydrophobicContact CB-CD2 4.26Å; F496-F498 HydrophobicContact CB-CE2 3.53Å; F496-F498 HydrophobicContact CB-CZ 3.83Å; F496-F498 HydrophobicContact CD2-CE2 4.47Å; F496-F498 AromaticContact CD2-CZ 3.98Å; F496-F498 HydrophobicContact CD2-CZ 3.98Å; F496-F498 HydrophobicContact CG-CZ 4.44Å
497	M	98.5	Very high	96.7	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	128.1	171.2	-66.7	177.8	-69.4	0	0	108.3	V406 N450 V451 P452 I454 C487 I490 R491	V406-M497 HydrophobicContact CB-CG 4.13Å; V406-M497 HydrophobicContact CG1-CB 4.38Å; V406-M497 HydrophobicContact CG1-CG 3.86Å; N450-M497 CarbonylContact C-O 3.49Å; N450-M497 WeakPolarHBondContact CA-O 3.24Å; N450-M497 PolarHBondContact OD1-O 3.28Å; V451-M497 PolarHBondContact N-O 3.13Å; P452-M497 WeakPolarHBondContact O-CE 3.07Å; I454-M497 HydrophobicContact CD1-CB 4.2Å; I454-M497 HydrophobicContact CD1-CG 4.31Å; I454-M497 HydrophobicContact CD1-SD 4.34Å; I454-M497 HydrophobicContact CG1-CB 4.48Å; I454-M497 HydrophobicContact CG1-SD 4.05Å; C487-M497 HydrophobicContact CB-CE 3.9Å; C487-M497 HydrophobicContact CB-SD 4.09Å; I490-M497 HydrophobicContact CB-CG 4.5Å; I490-M497 HydrophobicContact CB-SD 4.13Å; I490-M497 HydrophobicContact CD1-SD 4.2Å; I490-M497 HydrophobicContact CG2-CE 4.45Å; I490-M497 HydrophobicContact CG2-CG 3.63Å; I490-M497 HydrophobicContact CG2-SD 3.89Å; R491-M497 HydrophobicContact CG-CE 3.67Å
498	F	98.5	Very high	96.7	Very high	30 Å²	30	39 Å²	39	13%	0.132	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	146.7	-178.4	-66.1	-87.3	0	0	0	111.2	K404 V406 I407 A408 L448 W449 N450 F496	K404-F498 HydrophobicContact CB-CD2 3.85Å; K404-F498 HydrophobicContact CB-CE2 4.37Å; K404-F498 HydrophobicContact CB-CG 4.47Å; K404-F498 HydrophobicContact CD-CD2 4.18Å; K404-F498 HydrophobicContact CD-CE2 4.12Å; K404-F498 HydrophobicContact CD-CZ 4.44Å; K404-F498 HydrophobicContact CG-CB 4.49Å; K404-F498 HydrophobicContact CG-CD2 3.97Å; K404-F498 HydrophobicContact CG-CE2 4.41Å; K404-F498 HydrophobicContact CG-CG 4.22Å; V406-F498 PolarHBondContact O-N 3.41Å; I407-F498 CarbonylContact C-O 3.48Å; I407-F498 VanDerWaalsContact CA-O 3.28Å; I407-F498 WeakPolarHBondContact CA-O 3.39Å; I407-F498 HydrophobicContact CB-CB 4.43Å; I407-F498 HydrophobicContact CG1-CB 4.25Å; A408-F498 PolarHBondContact N-O 3.16Å; L448-F498 HydrophobicContact CD1-CB 3.7Å; L448-F498 HydrophobicContact CD1-CD1 4.35Å; L448-F498 HydrophobicContact CD1-CG 4.35Å; L448-F498 HydrophobicContact CD2-CB 4.48Å; L448-F498 HydrophobicContact CD2-CD1 3.92Å; L448-F498 HydrophobicContact CD2-CE1 4.41Å; L448-F498 HydrophobicContact CD2-CG 4.28Å; L448-F498 HydrophobicContact CG-CB 4.07Å; L448-F498 HydrophobicContact CG-CD1 3.76Å; L448-F498 HydrophobicContact CG-CG 4.21Å; W449-F498 CarbonylContact O-C 3.57Å; W449-F498 VanDerWaalsContact O-CA 3.24Å; W449-F498 WeakPolarHBondContact O-CA 3.09Å; N450-F498 HydrophobicContact CB-CD1 4.2Å; N450-F498 HydrophobicContact CB-CE1 3.95Å; F496-F498 HydrophobicContact CB-CD2 4.26Å; F496-F498 HydrophobicContact CB-CE2 3.53Å; F496-F498 HydrophobicContact CB-CZ 3.83Å; F496-F498 HydrophobicContact CD2-CE2 4.47Å; F496-F498 AromaticContact CD2-CZ 3.98Å; F496-F498 HydrophobicContact CD2-CZ 3.98Å; F496-F498 HydrophobicContact CG-CZ 4.44Å
499	V	98.6	Very high	96.8	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	129.2	163.2	66.4	0	0	0	0	109.2	A408 M410 F421 W449 V451	A408-V499 CarbonylContact O-C 3.52Å; A408-V499 VanDerWaalsContact O-CA 3.3Å; A408-V499 WeakPolarHBondContact O-CA 3.47Å; M410-V499 HydrophobicContact CB-CG2 3.75Å; M410-V499 HydrophobicContact CG-CG2 4.26Å; F421-V499 HydrophobicContact CB-CB 4.43Å; F421-V499 HydrophobicContact CB-CG1 4.44Å; F421-V499 HydrophobicContact CB-CG2 4.39Å; F421-V499 HydrophobicContact CD1-CG1 4.37Å; F421-V499 HydrophobicContact CD1-CG2 4.22Å; F421-V499 HydrophobicContact CD2-CG1 4.01Å; F421-V499 HydrophobicContact CE2-CG1 4.36Å; F421-V499 HydrophobicContact CG-CB 4.45Å; F421-V499 HydrophobicContact CG-CG1 4.02Å; F421-V499 HydrophobicContact CG-CG2 4.34Å; W449-V499 HydrophobicContact CB-CG1 3.82Å; W449-V499 HydrophobicContact CG-CG1 4.39Å; W449-V499 PolarHBondContact N-O 3.27Å; W449-V499 PolarHBondContact O-N 3.39Å; V451-V499 HydrophobicContact CG1-CG1 3.77Å; V451-V499 HydrophobicContact CG2-CB 4.14Å; V451-V499 HydrophobicContact CG2-CG1 3.92Å
500	S	98.5	Very high	96.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.6	175.4	-176.6	0	0	0	0	109.5	E402 A408 M410 R502 F505	E402-S500 WeakPolarHBondContact OE1-CB 3.38Å; E402-S500 PolarHBondContact OE1-OG 3.31Å; A408-S500 PolarHBondContact O-N 3.34Å; M410-S500 VanDerWaalsContact CB-O 3.29Å; M410-S500 WeakPolarHBondContact CB-O 3.45Å; M410-S500 PolarHBondContact N-O 2.99Å; S500-R502 WeakPolarHBondContact OG-CG 3.4Å; S500-R502 PolarHBondContact OG-N 3.26Å; S500-F505 VanDerWaalsContact O-CE2 3.31Å; S500-F505 WeakPolarHBondContact O-CE2 3.49Å
501	N	98.2	Very high	96.7	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	19%	0.189	C	C	.	.			trans	-118	26.1	167.6	72.2	-22.8	0	0	0	111.5	M410 I440 R445 V446 G447 W449 D503	M410-N501 HydrophobicContact CB-CB 3.76Å; M410-N501 HydrophobicContact CE-CB 3.67Å; M410-N501 HydrophobicContact CG-CB 4.28Å; M410-N501 HydrophobicContact SD-CB 3.56Å; M410-N501 VanDerWaalsContact SD-CB 3.56Å; I440-N501 PolarHBondContact O-ND2 2.79Å; R445-N501 PolarHBondContact O-ND2 2.93Å; V446-N501 WeakPolarHBondContact CA-OD1 3.44Å; V446-N501 WeakPolarHBondContact CG1-O 3.39Å; G447-N501 PolarHBondContact N-OD1 2.76Å; G447-N501 PolarHBondContact O-N 3.13Å; G447-N501 PolarHBondContact O-OD1 2.8Å; W449-N501 PolarHBondContact NE1-OD1 3.42Å; N501-D503 VanDerWaalsContact C-N 3.29Å
502	R	96.8	Very high	96.4	Very high	80 Å²	80	40 Å²	40	30%	0.302	22%	0.216	S	C	.	.	S	Bend	trans	-69.7	-25.8	-179	-63	-173.6	67.4	176.2	4.9	113.6	C273 D274 E402 S500	C273-R502 VanDerWaalsContact CB-CZ 3.49Å; C273-R502 PolarHBondContact O-NH1 2.59Å; D274-R502 IonicContact OD1-CZ 3.77Å; D274-R502 VanDerWaalsContact OD1-CZ 3.27Å; D274-R502 IonicContact OD1-NH1 3.67Å; D274-R502 PolarHBondContact OD1-NH1 3.41Å; D274-R502 IonicContact OD1-NH2 3.66Å; D274-R502 PolarHBondContact OD1-NH2 3.03Å; D274-R502 IonicContact OD2-NH2 2.78Å; E402-R502 WeakPolarHBondContact OE1-CD 3.36Å; S500-R502 WeakPolarHBondContact OG-CG 3.4Å; S500-R502 PolarHBondContact OG-N 3.26Å
503	D	96.9	Very high	96.1	Very high	78 Å²	78	38.7 Å²	38.7	42%	0.417	21%	0.212	S	C	.	.	S	Bend	trans	-130.2	161.8	178.4	-72	-86.9	0	0	0	110.8	I398 N501 F505	I398-D503 HydrophobicContact CD1-CB 4.43Å; N501-D503 VanDerWaalsContact C-N 3.29Å; D503-F505 HydrophobicContact CB-CD1 4.41Å; D503-F505 HydrophobicContact CB-CE1 3.98Å; D503-F505 HydrophobicContact CB-CE2 4.08Å; D503-F505 HydrophobicContact CB-CZ 3.81Å; D503-F505 WeakPolarHBondContact O-CD2 3.21Å; D503-F505 WeakPolarHBondContact O-CE2 3.46Å; D503-F505 PolarHBondContact O-N 3.31Å
504	E	96.4	Very high	96.2	Very high	165 Å²	165	35.4 Å²	35.4	77%	0.771	20%	0.196	S	C	*	.			trans	-82.5	99.1	167.6	-171.7	174.8	-179.3	0	0	108.6	N392	N392-E504 VanDerWaalsContact CB-O 3.31Å; N392-E504 WeakPolarHBondContact CB-O 3.36Å; N392-E504 PolarHBondContact ND2-O 3.43Å
505	F	98.1	Very high	96.2	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	19%	0.194	C	C	.	.			trans	-84.7	-33.9	-175.8	-64.1	-74.8	0	0	0	113.3	T391 N392 T395 I398 P409 L411 S500 D503	T391-F505 PolarHBondContact N-O 3.45Å; T391-F505 VanDerWaalsContact N-O 3.14Å; N392-F505 WeakPolarHBondContact CB-O 3.25Å; N392-F505 PolarHBondContact N-O 2.93Å; T395-F505 HydrophobicContact CG2-CD1 3.82Å; T395-F505 HydrophobicContact CG2-CE1 4.46Å; I398-F505 HydrophobicContact CB-CE1 4.12Å; I398-F505 HydrophobicContact CD1-CE1 4.06Å; I398-F505 HydrophobicContact CG2-CE1 3.79Å; I398-F505 HydrophobicContact CG2-CZ 3.96Å; P409-F505 HydrophobicContact CB-CB 3.67Å; P409-F505 HydrophobicContact CB-CD1 3.78Å; P409-F505 HydrophobicContact CB-CD2 3.48Å; P409-F505 VanDerWaalsContact CB-CD2 3.48Å; P409-F505 HydrophobicContact CB-CE1 4.26Å; P409-F505 HydrophobicContact CB-CE2 4.01Å; P409-F505 HydrophobicContact CB-CG 3.35Å; P409-F505 HydrophobicContact CB-CZ 4.36Å; L411-F505 HydrophobicContact CD2-CB 3.77Å; S500-F505 VanDerWaalsContact O-CE2 3.31Å; S500-F505 WeakPolarHBondContact O-CE2 3.49Å; D503-F505 HydrophobicContact CB-CD1 4.41Å; D503-F505 HydrophobicContact CB-CE1 3.98Å; D503-F505 HydrophobicContact CB-CE2 4.08Å; D503-F505 HydrophobicContact CB-CZ 3.81Å; D503-F505 WeakPolarHBondContact O-CD2 3.21Å; D503-F505 WeakPolarHBondContact O-CE2 3.46Å; D503-F505 PolarHBondContact O-N 3.31Å
506	G	97.4	Very high	96.1	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-152.2	-173.5	0	0	0	0	0	113.2	A389 T391	A389-G506 WeakPolarHBondContact O-CA 3.48Å; T391-G506 WeakPolarHBondContact OG1-CA 3.45Å
507	R	97.9	Very high	96	Very high	30 Å²	30	42.4 Å²	42.4	11%	0.113	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	168.4	-175.2	62.2	-171.7	175.8	-94.8	-2.9	111.8	A389 S412 D532 E535	A389-R507 HydrophobicContact CB-CG 3.78Å; A389-R507 PolarHBondContact N-O 2.82Å; A389-R507 PolarHBondContact O-N 2.85Å; S412-R507 WeakPolarHBondContact O-CA 3.32Å; R507-D532 IonicContact CZ-OD1 3.5Å; R507-D532 IonicContact CZ-OD2 2.65Å; R507-D532 VanDerWaalsContact NE-CG 3.34Å; R507-D532 IonicContact NE-OD1 2.64Å; R507-D532 PolarHBondContact NE-OD1 3.28Å; R507-D532 IonicContact NE-OD2 3.21Å; R507-D532 PolarHBondContact NE-OD2 3.31Å; R507-D532 IonicContact NH2-OD1 2.81Å; R507-D532 PolarHBondContact NH2-OD1 2.98Å; R507-D532 IonicContact NH2-OD2 2.84Å; R507-E535 IonicContact CZ-OE2 3.84Å; R507-E535 IonicContact NH2-OE2 3.17Å; R507-E535 PolarHBondContact NH2-OE2 3.41Å
508	L	98.3	Very high	95.7	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.4	174.1	-62.3	164.7	0	0	0	110	D387 V388 L411 S412 K413 W418 N420 Q456	D387-L508 CarbonylContact O-C 3.45Å; D387-L508 WeakPolarHBondContact O-CA 3.27Å; V388-L508 HydrophobicContact CG2-CD2 4.06Å; L411-L508 HydrophobicContact CB-CD1 4.08Å; L411-L508 HydrophobicContact CB-CD2 3.92Å; L411-L508 HydrophobicContact CB-CG 3.68Å; L411-L508 HydrophobicContact CD1-CD2 3.95Å; L411-L508 WeakPolarHBondContact O-CD1 3.41Å; S412-L508 PolarHBondContact O-N 3.05Å; S412-L508 VanDerWaalsContact O-N 3.07Å; K413-L508 HydrophobicContact CG-CB 3.98Å; W418-L508 HydrophobicContact CE3-CB 4.4Å; W418-L508 HydrophobicContact CE3-CD1 3.65Å; W418-L508 HydrophobicContact CH2-CD1 3.95Å; W418-L508 HydrophobicContact CZ3-CB 3.74Å; W418-L508 HydrophobicContact CZ3-CD1 3.14Å; W418-L508 HydrophobicContact CZ3-CG 3.94Å; N420-L508 HydrophobicContact CB-CD1 3.94Å; Q456-L508 HydrophobicContact CB-CD2 4.13Å; Q456-L508 HydrophobicContact CG-CD2 4.15Å
509	V	97.3	Very high	95.6	Very high	5 Å²	5	48.6 Å²	48.6	3%	0.03	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-83	140	177.5	-179.7	0	0	0	0	109	T301 P302 F303 D387 A389 N529	T301-V509 HydrophobicContact CG2-CG1 4.5Å; P302-V509 HydrophobicContact CB-CG1 4.04Å; P302-V509 HydrophobicContact CG-CG1 4.01Å; F303-V509 HydrophobicContact CD2-CG1 4.2Å; D387-V509 PolarHBondContact O-N 3.15Å; A389-V509 HydrophobicContact CB-CG2 4Å; V509-N529 WeakPolarHBondContact CA-OD1 3.39Å; V509-N529 WeakPolarHBondContact CG1-OD1 3.3Å
510	A	95.8	Very high	95.6	Very high	5 Å²	5	49.9 Å²	49.9	4%	0.041	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-85.7	119	172.5	0	0	0	0	0	110.2	D528 N529	A510-D528 HydrophobicContact CB-CB 4.27Å; A510-N529 PolarHBondContact N-OD1 2.9Å; A510-N529 PolarHBondContact O-ND2 2.75Å
511	S	93.3	Very high	95.5	Very high	23 Å²	23	50 Å²	50	16%	0.161	27%	0.269	C	S	.	.			trans	-105.5	-9.8	179.5	53	0	0	0	0	114.3	H299 T513 F514	H299-S511 PolarHBondContact CD2-OG 3.28Å; H299-S511 VanDerWaalsContact CD2-OG 3.28Å; H299-S511 PolarHBondContact NE2-OG 2.73Å; S511-T513 PolarHBondContact O-N 3.29Å; S511-T513 VanDerWaalsContact O-N 3.09Å; S511-F514 WeakPolarHBondContact O-CB 3.24Å; S511-F514 PolarHBondContact O-N 3Å
512	T	88.4	Confident	95.5	Very high	125 Å²	125	50 Å²	50	77%	0.767	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-27.4	-169.2	48.7	0	0	0	0	115.4
513	T	87.6	Confident	95.5	Very high	79 Å²	79	46.1 Å²	46.1	49%	0.485	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.9	12.1	-173.7	40.2	0	0	0	0	112	S511 N515 D528	S511-T513 PolarHBondContact O-N 3.29Å; S511-T513 VanDerWaalsContact O-N 3.09Å; T513-N515 PolarHBondContact O-N 2.88Å; T513-D528 VanDerWaalsContact OG1-CG 3.28Å; T513-D528 PolarHBondContact OG1-OD2 3.43Å
514	F	95.4	Very high	95.6	Very high	21 Å²	21	43.1 Å²	43.1	9%	0.092	24%	0.237	C	C	.	.			trans	-74.7	112.1	-174.8	-172.8	-124.8	0	0	0	111.6	P300 P302 Y331 S511 T516 P521 D522 Q525	P300-F514 HydrophobicContact CB-CD1 3.7Å; P300-F514 HydrophobicContact CB-CE1 4.23Å; P302-F514 HydrophobicContact CB-CD2 4.05Å; P302-F514 HydrophobicContact CB-CE2 3.96Å; P302-F514 HydrophobicContact CG-CB 4.07Å; P302-F514 HydrophobicContact CG-CD1 4.47Å; P302-F514 HydrophobicContact CG-CD2 3.52Å; P302-F514 HydrophobicContact CG-CE2 3.96Å; P302-F514 HydrophobicContact CG-CG 3.79Å; Y331-F514 HydrophobicContact CD1-CE1 4.37Å; Y331-F514 AromaticContact CE1-CE1 3.88Å; Y331-F514 HydrophobicContact CE1-CE1 3.88Å; Y331-F514 HydrophobicContact CE1-CZ 4.07Å; S511-F514 WeakPolarHBondContact O-CB 3.24Å; S511-F514 PolarHBondContact O-N 3Å; F514-T516 HydrophobicContact CD1-CG2 3.9Å; F514-T516 HydrophobicContact CE1-CG2 3.73Å; F514-P521 HydrophobicContact CD2-CB 4.11Å; F514-P521 HydrophobicContact CE2-CB 3.34Å; F514-P521 HydrophobicContact CE2-CG 4.48Å; F514-P521 HydrophobicContact CZ-CB 3.59Å; F514-P521 HydrophobicContact CZ-CG 4.3Å; F514-D522 WeakPolarHBondContact CE2-OD1 3.42Å; F514-Q525 HydrophobicContact CD2-CG 4.26Å; F514-Q525 HydrophobicContact CE2-CG 4.44Å
515	N	93.9	Very high	95.6	Very high	68 Å²	68	35.5 Å²	35.5	36%	0.364	20%	0.202	S	C	.	.			trans	-98.3	101.7	-178.2	-178.1	10.6	0	0	0	111.8	T513 S517 P521	T513-N515 PolarHBondContact O-N 2.88Å; N515-S517 PolarHBondContact ND2-OG 2.88Å; N515-S517 VanDerWaalsContact ND2-OG 3.13Å; N515-S517 PolarHBondContact O-N 3.38Å; N515-S517 VanDerWaalsContact OD1-CB 3.26Å; N515-S517 WeakPolarHBondContact OD1-CB 3.3Å; N515-S517 PolarHBondContact OD1-N 2.92Å; N515-S517 PolarHBondContact OD1-OG 3.2Å; N515-P521 VanDerWaalsContact O-CB 3.29Å; N515-P521 WeakPolarHBondContact O-CB 3.11Å; N515-P521 WeakPolarHBondContact O-CG 3.32Å
516	T	95.2	Very high	95.6	Very high	53 Å²	53	35.5 Å²	35.5	33%	0.325	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-1.8	178.7	54.6	0	0	0	0	114.8	P300 Y331 F514 R518	P300-T516 HydrophobicContact CB-CG2 3.66Å; P300-T516 HydrophobicContact CG-CG2 4.23Å; Y331-T516 HydrophobicContact CD1-CG2 3.67Å; Y331-T516 HydrophobicContact CD2-CG2 3.94Å; Y331-T516 HydrophobicContact CE1-CG2 4.06Å; Y331-T516 HydrophobicContact CE2-CG2 4.29Å; Y331-T516 HydrophobicContact CG-CG2 3.63Å; F514-T516 HydrophobicContact CD1-CG2 3.9Å; F514-T516 HydrophobicContact CE1-CG2 3.73Å; T516-R518 PolarHBondContact O-N 3.06Å
517	S	94.4	Very high	95.5	Very high	97 Å²	97	39.4 Å²	39.4	68%	0.678	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-5.8	177.9	86	0	0	0	0	113.9	N515	N515-S517 PolarHBondContact ND2-OG 2.88Å; N515-S517 VanDerWaalsContact ND2-OG 3.13Å; N515-S517 PolarHBondContact O-N 3.38Å; N515-S517 VanDerWaalsContact OD1-CB 3.26Å; N515-S517 WeakPolarHBondContact OD1-CB 3.3Å; N515-S517 PolarHBondContact OD1-N 2.92Å; N515-S517 PolarHBondContact OD1-OG 3.2Å
518	R	94	Very high	95.4	Very high	80 Å²	80	40.9 Å²	40.9	30%	0.302	23%	0.225	S	C	.	.	S	Bend	trans	-95.2	154.2	-178.8	-66	178.6	164.3	159.5	-11.9	109.9	T516 P521 W524	T516-R518 PolarHBondContact O-N 3.06Å; R518-P521 HydrophobicContact CB-CG 4.18Å; R518-P521 VanDerWaalsContact O-CD 3.28Å; R518-P521 WeakPolarHBondContact O-CD 3.49Å; R518-P521 WeakPolarHBondContact O-CG 3.34Å; R518-W524 HydrophobicContact CB-CZ3 4.39Å; R518-W524 VanDerWaalsContact NH1-CB 3.28Å
519	L	95.6	Very high	95.4	Very high	80 Å²	80	41.1 Å²	41.1	42%	0.419	23%	0.226	S	C	.	.	S	Bend	trans	-60.9	-48.3	176.8	-176.1	63.9	0	0	0	111.6	P521 E576 D580	L519-P521 WeakPolarHBondContact O-CD 3.36Å; L519-E576 HydrophobicContact CD2-CB 4.06Å; L519-D580 HydrophobicContact CD2-CB 3.89Å
520	H	97.4	Very high	95.3	Very high	27 Å²	27	42.4 Å²	42.4	13%	0.125	24%	0.235	C	C	.	.	S	Bend	trans	-124.1	78.3	175.3	-60.9	-58.5	0	0	0	111.3	D522 M523 H573 E576	H520-D522 PolarHBondContact O-N 3.45Å; H520-M523 HydrophobicContact CB-CG 4.03Å; H520-M523 HydrophobicContact CB-SD 3.83Å; H520-M523 WeakPolarHBondContact O-CB 3.32Å; H520-M523 PolarHBondContact O-N 3.37Å; H520-M523 VanDerWaalsContact O-N 3.15Å; H520-H573 HydrophobicContact CB-CB 4.2Å; H520-H573 AromaticContact CD2-CD2 3.83Å; H520-H573 AromaticContact CD2-CG 3.84Å; H520-H573 PolarHBondContact CD2-O 3.2Å; H520-H573 AromaticContact CE1-CD2 3.43Å; H520-H573 PolarHBondContact CE1-CD2 3.39Å; H520-H573 VanDerWaalsContact CE1-CD2 3.43Å; H520-H573 AromaticContact CE1-CE1 3.96Å; H520-H573 AromaticContact CE1-NE2 3.32Å; H520-H573 PolarHBondContact CE1-NE2 2.94Å; H520-H573 VanDerWaalsContact CE1-NE2 3.32Å; H520-H573 AromaticContact CG-CD2 3.81Å; H520-H573 AromaticContact CG-CE1 3.87Å; H520-H573 AromaticContact CG-CG 3.68Å; H520-H573 AromaticContact CG-ND1 3.79Å; H520-H573 AromaticContact CG-NE2 3.89Å; H520-H573 AromaticContact ND1-CD2 3.57Å; H520-H573 AromaticContact ND1-CE1 3.41Å; H520-H573 PolarHBondContact ND1-CE1 2.65Å; H520-H573 AromaticContact ND1-CG 3.85Å; H520-H573 AromaticContact ND1-ND1 3.82Å; H520-H573 AromaticContact ND1-NE2 3.25Å; H520-H573 PolarHBondContact ND1-NE2 2.84Å; H520-H573 AromaticContact NE2-CD2 3.57Å; H520-H573 AromaticContact NE2-NE2 3.95Å; H520-E576 IonicContact CD2-OE2 3.24Å; H520-E576 IonicContact CE1-OE2 3.92Å; H520-E576 PolarHBondContact CE1-OE2 3.36Å; H520-E576 IonicContact NE2-OE2 3.89Å; H520-E576 PolarHBondContact NE2-OE2 3.15Å
521	P	97.4	Very high	95.4	Very high	3 Å²	3	44 Å²	44	2%	0.019	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-55.7	-35.5	-175.4	-30.9	40	0	0	0	114.8	Y331 F514 N515 R518 L519 M523 W524	Y331-P521 HydrophobicContact CE2-CG 4.19Å; Y331-P521 VanDerWaalsContact OH-CD 3.27Å; Y331-P521 WeakPolarHBondContact OH-CD 3.28Å; Y331-P521 WeakPolarHBondContact OH-CG 3.36Å; F514-P521 HydrophobicContact CD2-CB 4.11Å; F514-P521 HydrophobicContact CE2-CB 3.34Å; F514-P521 HydrophobicContact CE2-CG 4.48Å; F514-P521 HydrophobicContact CZ-CB 3.59Å; F514-P521 HydrophobicContact CZ-CG 4.3Å; N515-P521 VanDerWaalsContact O-CB 3.29Å; N515-P521 WeakPolarHBondContact O-CB 3.11Å; N515-P521 WeakPolarHBondContact O-CG 3.32Å; R518-P521 HydrophobicContact CB-CG 4.18Å; R518-P521 VanDerWaalsContact O-CD 3.28Å; R518-P521 WeakPolarHBondContact O-CD 3.49Å; R518-P521 WeakPolarHBondContact O-CG 3.34Å; L519-P521 WeakPolarHBondContact O-CD 3.36Å; P521-M523 PolarHBondContact O-N 3.33Å; P521-W524 PolarHBondContact O-N 3.3Å; P521-W524 VanDerWaalsContact O-N 3.12Å
522	D	98	Very high	95.6	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.048	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-58.7	-29	-178.9	-75.9	-9.2	0	0	0	112.4	P302 F303 F514 H520 W524 Q525 K536 Y537	P302-D522 WeakPolarHBondContact CA-OD1 3.28Å; F303-D522 WeakPolarHBondContact CA-OD2 3.49Å; F303-D522 HydrophobicContact CD1-CB 4.23Å; F303-D522 HydrophobicContact CE1-CB 4.04Å; F303-D522 PolarHBondContact N-OD1 2.73Å; F303-D522 PolarHBondContact N-OD2 3.25Å; F514-D522 WeakPolarHBondContact CE2-OD1 3.42Å; H520-D522 PolarHBondContact O-N 3.45Å; D522-W524 PolarHBondContact O-N 2.81Å; D522-W524 VanDerWaalsContact O-N 3.14Å; D522-Q525 VanDerWaalsContact O-CB 3.29Å; D522-Q525 WeakPolarHBondContact O-CB 3.41Å; D522-Q525 PolarHBondContact O-N 3.17Å; D522-K536 HydrophobicContact CB-CD 4.44Å; D522-K536 IonicContact OD2-NZ 2.74Å; D522-K536 PolarHBondContact OD2-NZ 3.42Å; D522-Y537 HydrophobicContact CB-CE2 4.02Å; D522-Y537 WeakPolarHBondContact CB-OH 3.24Å; D522-Y537 WeakPolarHBondContact O-CE2 3.34Å
523	M	97.8	Very high	96.1	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-57.1	-31.2	178.2	-72.8	175.8	66.1	0	0	112.1	H520 P521 Q525 W533 Y537 M570 H573 L574 F613	H520-M523 HydrophobicContact CB-CG 4.03Å; H520-M523 HydrophobicContact CB-SD 3.83Å; H520-M523 WeakPolarHBondContact O-CB 3.32Å; H520-M523 PolarHBondContact O-N 3.37Å; H520-M523 VanDerWaalsContact O-N 3.15Å; P521-M523 PolarHBondContact O-N 3.33Å; M523-Q525 VanDerWaalsContact C-N 3.29Å; M523-Q525 PolarHBondContact O-N 3.32Å; M523-W533 PolarHBondContact O-NE1 3.19Å; M523-Y537 HydrophobicContact CG-CE1 4.26Å; M523-Y537 HydrophobicContact CG-CE2 4.46Å; M523-Y537 PolarHBondContact N-OH 3.13Å; M523-M570 HydrophobicContact CE-CE 3.78Å; M523-M570 HydrophobicContact CE-SD 4.1Å; M523-M570 HydrophobicContact CG-SD 4.24Å; M523-H573 HydrophobicContact CG-CB 4.12Å; M523-H573 HydrophobicContact SD-CB 3.67Å; M523-L574 HydrophobicContact CE-CB 3.9Å; M523-L574 HydrophobicContact CE-CD1 3.6Å; M523-L574 HydrophobicContact CE-CG 4.37Å; M523-F613 HydrophobicContact CB-CE2 4.06Å; M523-F613 HydrophobicContact CB-CZ 4.28Å; M523-F613 HydrophobicContact CE-CE1 4.14Å; M523-F613 HydrophobicContact CE-CE2 4.46Å; M523-F613 HydrophobicContact CE-CZ 4Å; M523-F613 WeakPolarHBondContact O-CE2 3.29Å
524	W	97.8	Very high	96.5	Very high	14 Å²	14	38.9 Å²	38.9	5%	0.053	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-85.2	3.9	-179.3	-80	-100.5	0	0	0	114.7	R518 P521 D522 I526 T577 G612 F613 E616	R518-W524 HydrophobicContact CB-CZ3 4.39Å; R518-W524 VanDerWaalsContact NH1-CB 3.28Å; P521-W524 PolarHBondContact O-N 3.3Å; P521-W524 VanDerWaalsContact O-N 3.12Å; D522-W524 PolarHBondContact O-N 2.81Å; D522-W524 VanDerWaalsContact O-N 3.14Å; W524-I526 VanDerWaalsContact C-N 3.32Å; W524-I526 PolarHBondContact O-N 3.25Å; W524-T577 HydrophobicContact CH2-CG2 3.86Å; W524-T577 HydrophobicContact CZ3-CG2 4.48Å; W524-G612 PolarHBondContact NE1-O 2.64Å; W524-F613 AromaticContact CD1-CD2 3.81Å; W524-F613 AromaticContact CD2-CD2 3.72Å; W524-F613 HydrophobicContact CD2-CD2 3.72Å; W524-F613 HydrophobicContact CD2-CE2 4.07Å; W524-F613 AromaticContact CE2-CD2 3.43Å; W524-F613 VanDerWaalsContact CE2-CD2 3.43Å; W524-F613 HydrophobicContact CE3-CD2 4.36Å; W524-F613 HydrophobicContact CE3-CE2 4.47Å; W524-F613 AromaticContact CG-CD2 4Å; W524-F613 HydrophobicContact CG-CD2 4Å; W524-F613 HydrophobicContact CG-CE2 4.23Å; W524-F613 HydrophobicContact CH2-CD2 4.45Å; W524-F613 HydrophobicContact CZ2-CB 3.94Å; W524-F613 AromaticContact CZ2-CD2 3.85Å; W524-F613 HydrophobicContact CZ2-CD2 3.85Å; W524-F613 HydrophobicContact CZ2-CG 4.23Å; W524-F613 AromaticContact NE1-CD2 3.49Å; W524-E616 HydrophobicContact CB-CG 4.37Å; W524-E616 HydrophobicContact CG-CG 4.19Å
525	Q	97.5	Very high	96.6	Very high	6 Å²	6	42.7 Å²	42.7	3%	0.028	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-89	9.3	-173.1	-65	-66.3	-58.9	0	0	114.4	P302 F303 F514 D522 M523 F527 D528 N529	P302-Q525 HydrophobicContact CB-CG 4.1Å; P302-Q525 HydrophobicContact CG-CG 4.21Å; F303-Q525 HydrophobicContact CE2-CB 3.96Å; F303-Q525 HydrophobicContact CE2-CG 4.41Å; F303-Q525 HydrophobicContact CZ-CB 3.55Å; F303-Q525 HydrophobicContact CZ-CG 4.26Å; F514-Q525 HydrophobicContact CD2-CG 4.26Å; F514-Q525 HydrophobicContact CE2-CG 4.44Å; D522-Q525 VanDerWaalsContact O-CB 3.29Å; D522-Q525 WeakPolarHBondContact O-CB 3.41Å; D522-Q525 PolarHBondContact O-N 3.17Å; M523-Q525 VanDerWaalsContact C-N 3.29Å; M523-Q525 PolarHBondContact O-N 3.32Å; Q525-F527 PolarHBondContact O-N 3.41Å; Q525-F527 VanDerWaalsContact O-N 3.12Å; Q525-D528 PolarHBondContact O-N 3.39Å; Q525-N529 HydrophobicContact CB-CB 4.44Å; Q525-N529 CarbonylContact O-C 3.55Å; Q525-N529 PolarHBondContact O-N 3.35Å; Q525-N529 PolarHBondContact OE1-ND2 2.76Å
526	I	97.3	Very high	96.8	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-58	-28.1	-178.5	-166.2	172.2	0	0	0	113.6	W524 P530 W533 E616 K619 F620 Y624	W524-I526 VanDerWaalsContact C-N 3.32Å; W524-I526 PolarHBondContact O-N 3.25Å; I526-P530 WeakPolarHBondContact O-CB 3.26Å; I526-W533 HydrophobicContact CB-CD2 3.76Å; I526-W533 HydrophobicContact CB-CE3 4.32Å; I526-W533 HydrophobicContact CB-CG 3.89Å; I526-W533 HydrophobicContact CB-CZ2 4.35Å; I526-W533 HydrophobicContact CD1-CD2 4.14Å; I526-W533 HydrophobicContact CD1-CE3 3.91Å; I526-W533 HydrophobicContact CD1-CH2 3.7Å; I526-W533 HydrophobicContact CD1-CZ2 3.93Å; I526-W533 HydrophobicContact CD1-CZ3 3.68Å; I526-W533 HydrophobicContact CG1-CD2 3.76Å; I526-W533 HydrophobicContact CG1-CE3 3.78Å; I526-W533 HydrophobicContact CG1-CG 4.25Å; I526-W533 HydrophobicContact CG1-CH2 4.39Å; I526-W533 HydrophobicContact CG1-CZ2 4.38Å; I526-W533 HydrophobicContact CG1-CZ3 4.1Å; I526-W533 VanDerWaalsContact N-CD1 3.31Å; I526-E616 HydrophobicContact CG2-CB 3.86Å; I526-E616 HydrophobicContact CG2-CG 3.92Å; I526-K619 HydrophobicContact CD1-CB 4.17Å; I526-K619 HydrophobicContact CD1-CG 3.87Å; I526-K619 HydrophobicContact CG1-CG 4Å; I526-K619 HydrophobicContact CG2-CB 4.26Å; I526-K619 HydrophobicContact CG2-CG 4.11Å; I526-F620 HydrophobicContact CD1-CB 3.9Å; I526-Y624 HydrophobicContact CD1-CE2 4.45Å
527	F	95.7	Very high	96.9	Very high	98 Å²	98	37.6 Å²	37.6	43%	0.43	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-46.3	178.9	-67.6	-76.2	0	0	0	113.1	Q525 K615 E616 K619	Q525-F527 PolarHBondContact O-N 3.41Å; Q525-F527 VanDerWaalsContact O-N 3.12Å; F527-K615 HydrophobicContact CE2-CB 4.2Å; F527-K615 HydrophobicContact CZ-CB 4.31Å; F527-K615 WeakPolarHBondContact CZ-O 3.45Å; F527-E616 HydrophobicContact CD2-CG 4.31Å; F527-E616 HydrophobicContact CE2-CG 3.99Å; F527-K619 HydrophobicContact CD1-CD 4.24Å; F527-K619 HydrophobicContact CD1-CG 4.02Å; F527-K619 HydrophobicContact CE1-CB 3.69Å; F527-K619 HydrophobicContact CE1-CD 3.75Å; F527-K619 HydrophobicContact CE1-CG 3.56Å; F527-K619 HydrophobicContact CE2-CB 4.19Å; F527-K619 HydrophobicContact CZ-CB 3.48Å; F527-K619 VanDerWaalsContact CZ-CB 3.48Å; F527-K619 HydrophobicContact CZ-CD 4.44Å; F527-K619 HydrophobicContact CZ-CG 3.87Å
528	D	95.3	Very high	97.1	Very high	61 Å²	61	33.5 Å²	33.5	33%	0.326	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-34.8	-172.5	-69.3	-41.4	0	0	0	111.7	A510 T513 Q525	A510-D528 HydrophobicContact CB-CB 4.27Å; T513-D528 VanDerWaalsContact OG1-CG 3.28Å; T513-D528 PolarHBondContact OG1-OD2 3.43Å; Q525-D528 PolarHBondContact O-N 3.39Å
529	N	97.6	Very high	97.3	Very high	8 Å²	8	32.4 Å²	32.4	4%	0.043	15%	0.154	C	C	.	.			trans	-136.4	60.7	-173.4	-63	-62.5	0	0	0	111.5	F303 V509 A510 Q525 L531 D532 W533	F303-N529 HydrophobicContact CD2-CB 4.49Å; F303-N529 HydrophobicContact CE2-CB 3.49Å; F303-N529 VanDerWaalsContact CE2-CB 3.49Å; F303-N529 HydrophobicContact CZ-CB 4.13Å; V509-N529 WeakPolarHBondContact CA-OD1 3.39Å; V509-N529 WeakPolarHBondContact CG1-OD1 3.3Å; A510-N529 PolarHBondContact N-OD1 2.9Å; A510-N529 PolarHBondContact O-ND2 2.75Å; Q525-N529 HydrophobicContact CB-CB 4.44Å; Q525-N529 CarbonylContact O-C 3.55Å; Q525-N529 PolarHBondContact O-N 3.35Å; Q525-N529 PolarHBondContact OE1-ND2 2.76Å; N529-L531 VanDerWaalsContact C-N 3.27Å; N529-L531 PolarHBondContact O-N 2.88Å; N529-D532 HydrophobicContact CB-CB 4.41Å; N529-D532 PolarHBondContact O-N 3.03Å; N529-W533 VanDerWaalsContact O-CB 3.26Å; N529-W533 WeakPolarHBondContact O-CB 3.48Å; N529-W533 PolarHBondContact O-N 3.25Å
530	P	96.9	Very high	97.2	Very high	33 Å²	33	36.3 Å²	36.3	21%	0.214	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-30.7	-171.3	23.6	-34.6	0	0	0	113.8	I526 R534	I526-P530 WeakPolarHBondContact O-CB 3.26Å; P530-R534 VanDerWaalsContact O-CB 3.24Å; P530-R534 WeakPolarHBondContact O-CB 3.42Å; P530-R534 PolarHBondContact O-N 3.09Å
531	L	96.9	Very high	97.1	Very high	38 Å²	38	36.5 Å²	36.5	20%	0.199	17%	0.172	C	C	.	.	H	α-helix	trans	-73.2	-47.4	-179.5	-64.4	-171.5	0	0	0	112.1	H414 N529 R534 E535	H414-L531 HydrophobicContact CB-CD1 4.18Å; H414-L531 HydrophobicContact CB-CG 4.48Å; H414-L531 VanDerWaalsContact ND1-CD1 3.3Å; H414-L531 WeakPolarHBondContact ND1-CD1 3.37Å; N529-L531 VanDerWaalsContact C-N 3.27Å; N529-L531 PolarHBondContact O-N 2.88Å; L531-R534 WeakPolarHBondContact O-CB 3.13Å; L531-R534 PolarHBondContact O-N 3.15Å; L531-E535 PolarHBondContact O-N 2.77Å
532	D	97.6	Very high	97	Very high	5 Å²	5	37 Å²	37	3%	0.027	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-39.5	176.3	-59.1	-84.7	0	0	0	111.1	F303 R310 R507 N529 R534 E535 K536	F303-D532 HydrophobicContact CD1-CB 4.23Å; F303-D532 HydrophobicContact CD2-CB 3.45Å; F303-D532 VanDerWaalsContact CD2-CB 3.45Å; F303-D532 HydrophobicContact CE1-CB 4.2Å; F303-D532 HydrophobicContact CE2-CB 3.46Å; F303-D532 VanDerWaalsContact CE2-CB 3.46Å; F303-D532 HydrophobicContact CG-CB 3.86Å; F303-D532 HydrophobicContact CZ-CB 3.82Å; R310-D532 IonicContact NH1-OD1 3.58Å; R310-D532 IonicContact NH2-OD1 2.88Å; R507-D532 IonicContact CZ-OD1 3.5Å; R507-D532 IonicContact CZ-OD2 2.65Å; R507-D532 VanDerWaalsContact NE-CG 3.34Å; R507-D532 IonicContact NE-OD1 2.64Å; R507-D532 PolarHBondContact NE-OD1 3.28Å; R507-D532 IonicContact NE-OD2 3.21Å; R507-D532 PolarHBondContact NE-OD2 3.31Å; R507-D532 IonicContact NH2-OD1 2.81Å; R507-D532 PolarHBondContact NH2-OD1 2.98Å; R507-D532 IonicContact NH2-OD2 2.84Å; N529-D532 HydrophobicContact CB-CB 4.41Å; N529-D532 PolarHBondContact O-N 3.03Å; D532-R534 VanDerWaalsContact C-N 3.33Å; D532-R534 PolarHBondContact O-N 3.19Å; D532-E535 PolarHBondContact O-N 3.12Å; D532-K536 PolarHBondContact O-N 2.88Å
533	W	98.1	Very high	96.8	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.195	C	C	.	.	H	α-helix	trans	-60.3	-44.1	173.6	-170.7	95	0	0	0	111.6	F303 M523 I526 N529 K536 Y537 V538 F566 F620 Y624	F303-W533 HydrophobicContact CE1-CB 4.48Å; F303-W533 HydrophobicContact CZ-CB 4.09Å; M523-W533 PolarHBondContact O-NE1 3.19Å; I526-W533 HydrophobicContact CB-CD2 3.76Å; I526-W533 HydrophobicContact CB-CE3 4.32Å; I526-W533 HydrophobicContact CB-CG 3.89Å; I526-W533 HydrophobicContact CB-CZ2 4.35Å; I526-W533 HydrophobicContact CD1-CD2 4.14Å; I526-W533 HydrophobicContact CD1-CE3 3.91Å; I526-W533 HydrophobicContact CD1-CH2 3.7Å; I526-W533 HydrophobicContact CD1-CZ2 3.93Å; I526-W533 HydrophobicContact CD1-CZ3 3.68Å; I526-W533 HydrophobicContact CG1-CD2 3.76Å; I526-W533 HydrophobicContact CG1-CE3 3.78Å; I526-W533 HydrophobicContact CG1-CG 4.25Å; I526-W533 HydrophobicContact CG1-CH2 4.39Å; I526-W533 HydrophobicContact CG1-CZ2 4.38Å; I526-W533 HydrophobicContact CG1-CZ3 4.1Å; I526-W533 VanDerWaalsContact N-CD1 3.31Å; N529-W533 VanDerWaalsContact O-CB 3.26Å; N529-W533 WeakPolarHBondContact O-CB 3.48Å; N529-W533 PolarHBondContact O-N 3.25Å; W533-K536 PolarHBondContact O-N 3.23Å; W533-Y537 AromaticContact CD1-CD2 3.47Å; W533-Y537 VanDerWaalsContact CD1-CD2 3.47Å; W533-Y537 AromaticContact CD1-CE2 3.83Å; W533-Y537 AromaticContact CD2-CD2 3.96Å; W533-Y537 HydrophobicContact CD2-CD2 3.96Å; W533-Y537 AromaticContact CE2-CD2 3.67Å; W533-Y537 AromaticContact CG-CD2 3.84Å; W533-Y537 HydrophobicContact CG-CD2 3.84Å; W533-Y537 HydrophobicContact CZ2-CD2 4.35Å; W533-Y537 AromaticContact NE1-CD2 3.38Å; W533-Y537 AromaticContact NE1-CE2 3.86Å; W533-Y537 WeakPolarHBondContact O-CB 3.48Å; W533-Y537 PolarHBondContact O-N 3.2Å; W533-V538 HydrophobicContact CE3-CG2 4.17Å; W533-V538 HydrophobicContact CZ3-CG2 3.6Å; W533-F566 HydrophobicContact CH2-CE1 4.1Å; W533-F620 HydrophobicContact CH2-CB 4.3Å; W533-F620 AromaticContact CH2-CD2 3.75Å; W533-F620 HydrophobicContact CH2-CD2 3.75Å; W533-F620 HydrophobicContact CH2-CG 4.34Å; W533-F620 HydrophobicContact CZ3-CD2 4.1Å; W533-Y624 HydrophobicContact CE3-CE2 4.41Å; W533-Y624 HydrophobicContact CZ3-CD2 4.45Å; W533-Y624 AromaticContact CZ3-CE2 3.89Å; W533-Y624 HydrophobicContact CZ3-CE2 3.89Å
534	R	97.7	Very high	96.6	Very high	113 Å²	113	44 Å²	44	43%	0.426	21%	0.212	S	C	.	.	H	α-helix	trans	-60.4	-47.7	175.6	-175	-179.3	66.8	178	2.8	111.6	P530 L531 D532 K536 V538 Y624	P530-R534 VanDerWaalsContact O-CB 3.24Å; P530-R534 WeakPolarHBondContact O-CB 3.42Å; P530-R534 PolarHBondContact O-N 3.09Å; L531-R534 WeakPolarHBondContact O-CB 3.13Å; L531-R534 PolarHBondContact O-N 3.15Å; D532-R534 VanDerWaalsContact C-N 3.33Å; D532-R534 PolarHBondContact O-N 3.19Å; R534-K536 PolarHBondContact O-N 3.02Å; R534-V538 HydrophobicContact CB-CG2 4.39Å; R534-V538 HydrophobicContact CG-CB 3.92Å; R534-V538 HydrophobicContact CG-CG1 4.4Å; R534-V538 HydrophobicContact CG-CG2 3.98Å; R534-V538 VanDerWaalsContact O-CB 3.3Å; R534-V538 WeakPolarHBondContact O-CB 3.46Å; R534-V538 PolarHBondContact O-N 3.41Å; R534-Y624 WeakPolarHBondContact CB-OH 3.37Å; R534-Y624 HydrophobicContact CG-CE1 4Å; R534-Y624 WeakPolarHBondContact CG-OH 3.45Å
535	E	96.2	Very high	96.4	Very high	102 Å²	102	43.3 Å²	43.3	48%	0.477	21%	0.21	S	C	.	.	H	α-helix	trans	-58.7	-37.2	-179.5	-170.3	178.1	152.4	0	0	112.1	R310 R507 L531 D532	R310-E535 IonicContact CZ-OE1 3.28Å; R310-E535 IonicContact NE-OE1 3.86Å; R310-E535 IonicContact NH2-OE1 3.13Å; R310-E535 PolarHBondContact NH2-OE1 3.11Å; R310-E535 IonicContact NH2-OE2 2.75Å; R310-E535 PolarHBondContact NH2-OE2 3.4Å; R507-E535 IonicContact CZ-OE2 3.84Å; R507-E535 IonicContact NH2-OE2 3.17Å; R507-E535 PolarHBondContact NH2-OE2 3.41Å; L531-E535 PolarHBondContact O-N 2.77Å; D532-E535 PolarHBondContact O-N 3.12Å
536	K	97.8	Very high	96.1	Very high	14 Å²	14	46.9 Å²	46.9	6%	0.061	23%	0.226	C	C	.	.	H	α-helix	trans	-82.1	-45.3	179.8	-172.5	170	-168.2	143.6	0	114	F303 E306 D522 D532 W533 R534 S567 K569	F303-K536 HydrophobicContact CD1-CD 3.78Å; F303-K536 HydrophobicContact CE1-CD 4.1Å; E306-K536 WeakPolarHBondContact OE1-CD 3.35Å; E306-K536 WeakPolarHBondContact OE1-CE 3.47Å; E306-K536 WeakPolarHBondContact OE1-CG 2.92Å; E306-K536 IonicContact OE1-NZ 2.88Å; E306-K536 PolarHBondContact OE1-NZ 2.67Å; E306-K536 IonicContact OE2-NZ 3.97Å; E306-K536 PolarHBondContact OE2-NZ 3.12Å; D522-K536 HydrophobicContact CB-CD 4.44Å; D522-K536 IonicContact OD2-NZ 2.74Å; D522-K536 PolarHBondContact OD2-NZ 3.42Å; D532-K536 PolarHBondContact O-N 2.88Å; W533-K536 PolarHBondContact O-N 3.23Å; R534-K536 PolarHBondContact O-N 3.02Å; K536-S567 PolarHBondContact O-OG 3.44Å; K536-K569 HydrophobicContact CG-CG 4.49Å
537	Y	98.5	Very high	95.8	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-111	-17.6	-162.5	-64.9	-54.1	0	0	0	115.2	F303 D522 M523 W533 F566 S567 K569 M570 H573	F303-Y537 HydrophobicContact CE1-CE2 4.43Å; D522-Y537 HydrophobicContact CB-CE2 4.02Å; D522-Y537 WeakPolarHBondContact CB-OH 3.24Å; D522-Y537 WeakPolarHBondContact O-CE2 3.34Å; M523-Y537 HydrophobicContact CG-CE1 4.26Å; M523-Y537 HydrophobicContact CG-CE2 4.46Å; M523-Y537 PolarHBondContact N-OH 3.13Å; W533-Y537 AromaticContact CD1-CD2 3.47Å; W533-Y537 VanDerWaalsContact CD1-CD2 3.47Å; W533-Y537 AromaticContact CD1-CE2 3.83Å; W533-Y537 AromaticContact CD2-CD2 3.96Å; W533-Y537 HydrophobicContact CD2-CD2 3.96Å; W533-Y537 AromaticContact CE2-CD2 3.67Å; W533-Y537 AromaticContact CG-CD2 3.84Å; W533-Y537 HydrophobicContact CG-CD2 3.84Å; W533-Y537 HydrophobicContact CZ2-CD2 4.35Å; W533-Y537 AromaticContact NE1-CD2 3.38Å; W533-Y537 AromaticContact NE1-CE2 3.86Å; W533-Y537 WeakPolarHBondContact O-CB 3.48Å; W533-Y537 PolarHBondContact O-N 3.2Å; Y537-F566 WeakPolarHBondContact O-CA 3.46Å; Y537-F566 WeakPolarHBondContact O-CD1 3.3Å; Y537-S567 WeakPolarHBondContact CA-OG 2.91Å; Y537-S567 PolarHBondContact O-N 3.34Å; Y537-S567 PolarHBondContact O-OG 3.12Å; Y537-K569 HydrophobicContact CE1-CG 4.36Å; Y537-M570 HydrophobicContact CD1-CB 3.63Å; Y537-M570 HydrophobicContact CD1-CG 4.22Å; Y537-M570 HydrophobicContact CD1-SD 3.79Å; Y537-M570 HydrophobicContact CE1-SD 4.34Å; Y537-M570 HydrophobicContact CG-CB 4.15Å; Y537-M570 HydrophobicContact CG-CG 4.45Å; Y537-M570 HydrophobicContact CG-SD 3.95Å; Y537-M570 WeakPolarHBondContact O-CB 3.42Å; Y537-H573 AromaticContact CE1-ND1 3.59Å; Y537-H573 AromaticContact CZ-ND1 3.97Å; Y537-H573 PolarHBondContact OH-ND1 2.97Å
538	V	98.3	Very high	94.9	Very high	10 Å²	10	56.3 Å²	56.3	6%	0.061	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-90.2	142.1	175.7	177.3	0	0	0	0	109.1	W533 R534 E540 Y542 Y624	W533-V538 HydrophobicContact CE3-CG2 4.17Å; W533-V538 HydrophobicContact CZ3-CG2 3.6Å; R534-V538 HydrophobicContact CB-CG2 4.39Å; R534-V538 HydrophobicContact CG-CB 3.92Å; R534-V538 HydrophobicContact CG-CG1 4.4Å; R534-V538 HydrophobicContact CG-CG2 3.98Å; R534-V538 VanDerWaalsContact O-CB 3.3Å; R534-V538 WeakPolarHBondContact O-CB 3.46Å; R534-V538 PolarHBondContact O-N 3.41Å; V538-E540 PolarHBondContact O-N 2.92Å; V538-Y542 HydrophobicContact CG1-CD1 3.89Å; V538-Y542 HydrophobicContact CG1-CD2 4.32Å; V538-Y542 HydrophobicContact CG1-CG 3.64Å; V538-Y624 HydrophobicContact CB-CE1 4.43Å; V538-Y624 HydrophobicContact CG1-CD1 4.14Å; V538-Y624 HydrophobicContact CG1-CE1 4.14Å; V538-Y624 HydrophobicContact CG2-CD1 3.99Å; V538-Y624 HydrophobicContact CG2-CE1 3.66Å; V538-Y624 HydrophobicContact CG2-CE2 4.26Å; V538-Y624 HydrophobicContact CG2-CG 4.45Å
539	H	97.6	Very high	93.8	Very high	58 Å²	58	61.8 Å²	61.8	27%	0.269	30%	0.3	S	S	.	.			trans	-59.5	134.3	179.6	-167.3	-78.3	0	0	0	110.6	N541 Y542 P564 A565 F566	H539-N541 PolarHBondContact ND1-N 3.33Å; H539-N541 VanDerWaalsContact ND1-N 3.12Å; H539-N541 PolarHBondContact O-N 3.02Å; H539-N541 VanDerWaalsContact O-N 3.11Å; H539-Y542 WeakPolarHBondContact O-CB 3.25Å; H539-Y542 PolarHBondContact O-N 3.29Å; H539-P564 HydrophobicContact CB-CB 3.96Å; H539-P564 VanDerWaalsContact CG-CB 3.47Å; H539-P564 WeakPolarHBondContact ND1-CB 3.37Å; H539-A565 PolarHBondContact N-O 2.75Å; H539-F566 WeakPolarHBondContact CB-O 3.18Å; H539-F566 PolarHBondContact CD2-O 2.92Å
540	E	95	Very high	92.7	Very high	161 Å²	161	63 Å²	63	75%	0.752	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-37.5	-177.9	46.6	161.6	-136.2	0	0	113.5	V538	V538-E540 PolarHBondContact O-N 2.92Å
541	N	94.9	Very high	92.1	Very high	31 Å²	31	65.9 Å²	65.9	17%	0.166	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4.6	179.2	-61.6	-48.2	0	0	0	114.5	H539 S543 K544 M552 P564	H539-N541 PolarHBondContact ND1-N 3.33Å; H539-N541 VanDerWaalsContact ND1-N 3.12Å; H539-N541 PolarHBondContact O-N 3.02Å; H539-N541 VanDerWaalsContact O-N 3.11Å; N541-S543 VanDerWaalsContact C-N 3.34Å; N541-S543 PolarHBondContact O-N 2.89Å; N541-K544 HydrophobicContact CB-CD 4.25Å; N541-K544 WeakPolarHBondContact O-CB 3.28Å; N541-K544 PolarHBondContact O-N 3.37Å; N541-K544 WeakPolarHBondContact OD1-CD 3.4Å; N541-K544 WeakPolarHBondContact OD1-CE 3.26Å; N541-K544 PolarHBondContact OD1-NZ 3.1Å; N541-M552 HydrophobicContact CB-SD 3.96Å; N541-P564 HydrophobicContact CB-CG 4.46Å
542	Y	95.6	Very high	91.7	Very high	14 Å²	14	66.9 Å²	66.9	6%	0.055	33%	0.334	C	S	.	.	S	Bend	trans	-56.7	-45.5	179	169.9	-91.8	0	0	0	111.8	V538 H539 K544 I545 F546 Y624 V628	V538-Y542 HydrophobicContact CG1-CD1 3.89Å; V538-Y542 HydrophobicContact CG1-CD2 4.32Å; V538-Y542 HydrophobicContact CG1-CG 3.64Å; H539-Y542 WeakPolarHBondContact O-CB 3.25Å; H539-Y542 PolarHBondContact O-N 3.29Å; Y542-K544 PolarHBondContact O-N 3.01Å; Y542-I545 HydrophobicContact CD2-CD1 3.84Å; Y542-I545 HydrophobicContact CE2-CD1 4.25Å; Y542-I545 HydrophobicContact CG-CD1 4.45Å; Y542-I545 WeakPolarHBondContact O-CB 3.44Å; Y542-I545 WeakPolarHBondContact O-CD1 3.43Å; Y542-I545 VanDerWaalsContact O-CG1 3.24Å; Y542-I545 WeakPolarHBondContact O-CG1 3.47Å; Y542-I545 PolarHBondContact O-N 2.98Å; Y542-F546 AromaticContact CE1-CE2 3.81Å; Y542-F546 HydrophobicContact CE1-CE2 3.81Å; Y542-F546 HydrophobicContact CE2-CE2 4.49Å; Y542-F546 AromaticContact CZ-CE2 3.7Å; Y542-F546 WeakPolarHBondContact OH-CE2 3.29Å; Y542-Y624 HydrophobicContact CD1-CD1 4.12Å; Y542-Y624 AromaticContact CE1-CD1 3.61Å; Y542-Y624 HydrophobicContact CE1-CD1 3.61Å; Y542-Y624 HydrophobicContact CE1-CE1 4.29Å; Y542-Y624 HydrophobicContact CE2-CD1 4.29Å; Y542-Y624 WeakPolarHBondContact CE2-O 3.28Å; Y542-Y624 AromaticContact CZ-CD1 3.73Å; Y542-Y624 VanDerWaalsContact OH-CA 3.27Å; Y542-Y624 WeakPolarHBondContact OH-CA 3.38Å; Y542-Y624 PolarHBondContact OH-O 2.88Å; Y542-V628 HydrophobicContact CE2-CG2 3.8Å
543	S	93.1	Very high	91.4	Very high	71 Å²	71	68.4 Å²	68.4	50%	0.497	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-62.3	-29.7	-178.6	-64.7	0	0	0	0	113.2	N541 I545 F546	N541-S543 VanDerWaalsContact C-N 3.34Å; N541-S543 PolarHBondContact O-N 2.89Å; S543-I545 PolarHBondContact O-N 3.2Å; S543-F546 PolarHBondContact O-N 2.86Å
544	K	93.4	Very high	91.2	Very high	84 Å²	84	73.7 Å²	73.7	37%	0.365	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-66.9	-16.4	178.2	-62.9	178.6	-178.7	165.6	0	112.7	N541 Y542 F546 E547 S550 M552	N541-K544 HydrophobicContact CB-CD 4.25Å; N541-K544 WeakPolarHBondContact O-CB 3.28Å; N541-K544 PolarHBondContact O-N 3.37Å; N541-K544 WeakPolarHBondContact OD1-CD 3.4Å; N541-K544 WeakPolarHBondContact OD1-CE 3.26Å; N541-K544 PolarHBondContact OD1-NZ 3.1Å; Y542-K544 PolarHBondContact O-N 3.01Å; K544-F546 PolarHBondContact O-N 2.88Å; K544-E547 PolarHBondContact O-N 3.28Å; K544-S550 WeakPolarHBondContact O-CB 3.33Å; K544-S550 PolarHBondContact O-OG 2.7Å; K544-M552 HydrophobicContact CB-CG 3.84Å
545	I	93.4	Very high	91	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.005	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-56.7	-32.8	172.8	-67.6	166	0	0	0	110.9	Y542 S543 M552 V553 F563 P564 V628 K631	Y542-I545 HydrophobicContact CD2-CD1 3.84Å; Y542-I545 HydrophobicContact CE2-CD1 4.25Å; Y542-I545 HydrophobicContact CG-CD1 4.45Å; Y542-I545 WeakPolarHBondContact O-CB 3.44Å; Y542-I545 WeakPolarHBondContact O-CD1 3.43Å; Y542-I545 VanDerWaalsContact O-CG1 3.24Å; Y542-I545 WeakPolarHBondContact O-CG1 3.47Å; Y542-I545 PolarHBondContact O-N 2.98Å; S543-I545 PolarHBondContact O-N 3.2Å; I545-M552 HydrophobicContact CG1-CB 4.15Å; I545-V553 HydrophobicContact CB-CG2 4.38Å; I545-V553 HydrophobicContact CG1-CG2 4.29Å; I545-V553 HydrophobicContact CG2-CG2 3.67Å; I545-F563 HydrophobicContact CD1-CB 3.78Å; I545-F563 HydrophobicContact CD1-CD2 3.61Å; I545-F563 HydrophobicContact CD1-CG 4.05Å; I545-F563 HydrophobicContact CG1-CB 4.28Å; I545-P564 HydrophobicContact CD1-CG 4.2Å; I545-P564 WeakPolarHBondContact CD1-O 3.3Å; I545-P564 HydrophobicContact CG1-CG 4.38Å; I545-V628 HydrophobicContact CD1-CG2 4.43Å; I545-V628 HydrophobicContact CG2-CG1 4.19Å; I545-V628 HydrophobicContact CG2-CG2 4.21Å; I545-K631 PolarHBondContact O-NZ 3.13Å
546	F	92.3	Very high	90.9	Very high	81 Å²	81	71.8 Å²	71.8	36%	0.355	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-86.4	-11.2	-173.7	-63.2	-79.2	0	0	0	114.3	Y542 S543 K544 P627 V628 K631	Y542-F546 AromaticContact CE1-CE2 3.81Å; Y542-F546 HydrophobicContact CE1-CE2 3.81Å; Y542-F546 HydrophobicContact CE2-CE2 4.49Å; Y542-F546 AromaticContact CZ-CE2 3.7Å; Y542-F546 WeakPolarHBondContact OH-CE2 3.29Å; S543-F546 PolarHBondContact O-N 2.86Å; K544-F546 PolarHBondContact O-N 2.88Å; F546-P627 HydrophobicContact CE1-CB 4.11Å; F546-P627 HydrophobicContact CZ-CB 3.94Å; F546-V628 HydrophobicContact CE1-CG2 4.36Å; F546-V628 HydrophobicContact CE2-CG2 4.17Å; F546-V628 HydrophobicContact CZ-CB 4.49Å; F546-V628 HydrophobicContact CZ-CG2 3.57Å; F546-K631 VanDerWaalsContact CA-NZ 3.3Å; F546-K631 HydrophobicContact CD1-CD 3.9Å; F546-K631 HydrophobicContact CE1-CB 4.47Å; F546-K631 HydrophobicContact CE1-CD 4.4Å; F546-K631 PolarHBondContact O-NZ 3.43Å; F546-K631 VanDerWaalsContact O-NZ 3.09Å
547	E	91.1	Very high	90.8	Very high	110 Å²	110	74.4 Å²	74.4	51%	0.514	39%	0.39	S	S	.	.	S	Bend	trans	-66.9	154.2	177.9	-64.2	171.8	-169.7	0	0	112.1	K544 K631	K544-E547 PolarHBondContact O-N 3.28Å; E547-K631 PolarHBondContact O-NZ 2.97Å
548	E	75.5	Confident	90.6	Very high	187 Å²	187	79.9 Å²	79.9	87%	0.874	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	135.4	172.3	-64.8	-177.2	174.7	0	0	108.9	S550	E548-S550 VanDerWaalsContact C-N 3.29Å; E548-S550 PolarHBondContact O-N 3.4Å
549	D	71.4	Confident	90.3	Very high	175 Å²	175	84.7 Å²	84.7	94%	0.936	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.5	24	-176.5	-58.3	-33	0	0	0	116.7	S551	D549-S551 PolarHBondContact O-N 3.39Å
550	S	76.3	Confident	90.1	Very high	33 Å²	33	85.6 Å²	85.6	23%	0.231	46%	0.461	C	S	.	.			trans	-66.3	125.6	177	-175.2	0	0	0	0	113	K544 E548 M552	K544-S550 WeakPolarHBondContact O-CB 3.33Å; K544-S550 PolarHBondContact O-OG 2.7Å; E548-S550 VanDerWaalsContact C-N 3.29Å; E548-S550 PolarHBondContact O-N 3.4Å; S550-M552 PolarHBondContact O-N 2.99Å; S550-M552 WeakPolarHBondContact OG-CB 3.3Å; S550-M552 VanDerWaalsContact OG-CG 3.26Å; S550-M552 WeakPolarHBondContact OG-CG 3.26Å; S550-M552 PolarHBondContact OG-N 3.15Å
551	S	82.5	Confident	90.1	Very high	95 Å²	95	81.2 Å²	81.2	66%	0.664	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	9.5	171.5	72.1	0	0	0	0	113.5	D549 V553	D549-S551 PolarHBondContact O-N 3.39Å; S551-V553 VanDerWaalsContact C-N 3.31Å
552	M	89.6	Confident	90	Very high	58 Å²	58	87.9 Å²	87.9	29%	0.286	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-15.3	-175.8	-63.7	-65.8	139.1	0	0	113.5	N541 K544 I545 S550 P564	N541-M552 HydrophobicContact CB-SD 3.96Å; K544-M552 HydrophobicContact CB-CG 3.84Å; I545-M552 HydrophobicContact CG1-CB 4.15Å; S550-M552 PolarHBondContact O-N 2.99Å; S550-M552 WeakPolarHBondContact OG-CB 3.3Å; S550-M552 VanDerWaalsContact OG-CG 3.26Å; S550-M552 WeakPolarHBondContact OG-CG 3.26Å; S550-M552 PolarHBondContact OG-N 3.15Å; M552-P564 VanDerWaalsContact O-CD 3.29Å; M552-P564 WeakPolarHBondContact O-CD 3.44Å
553	V	91.6	Very high	90	Very high	37 Å²	37	89.2 Å²	89.2	22%	0.224	47%	0.467	C	S	.	.			trans	-110	122.4	177	-172.1	0	0	0	0	109.4	I545 S551 Y561 W562 F563 L632	I545-V553 HydrophobicContact CB-CG2 4.38Å; I545-V553 HydrophobicContact CG1-CG2 4.29Å; I545-V553 HydrophobicContact CG2-CG2 3.67Å; S551-V553 VanDerWaalsContact C-N 3.31Å; V553-Y561 HydrophobicContact CG1-CD1 3.92Å; V553-W562 WeakPolarHBondContact CA-O 3.36Å; V553-F563 HydrophobicContact CG2-CB 4.15Å; V553-L632 HydrophobicContact CG1-CD1 4.1Å; V553-L632 HydrophobicContact CG1-CD2 3.84Å
554	E	93.3	Very high	90.1	Very high	113 Å²	113	87 Å²	87	53%	0.528	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	154.2	173.9	-62.2	-177.6	-164.8	0	0	110.4	P556 Y561 W562	E554-P556 WeakPolarHBondContact O-CD 3.42Å; E554-Y561 CarbonylContact O-C 3.57Å; E554-Y561 WeakPolarHBondContact O-CA 3.48Å; E554-W562 HydrophobicContact CB-CB 4.4Å; E554-W562 PolarHBondContact N-O 2.91Å; E554-W562 PolarHBondContact O-N 3.14Å
555	Q	93.6	Very high	90.2	Very high	100 Å²	100	84.2 Å²	84.2	47%	0.467	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	78.4	172.2	-172.3	176.5	33	0	0	109.3	C557 V560 Y561	Q555-C557 WeakPolarHBondContact CG-O 3.11Å; Q555-C557 PolarHBondContact O-N 3.19Å; Q555-V560 WeakPolarHBondContact CA-O 3.35Å; Q555-V560 WeakPolarHBondContact CG-O 3.29Å; Q555-Y561 HydrophobicContact CB-CD1 4.21Å; Q555-Y561 HydrophobicContact CB-CE1 4.25Å; Q555-Y561 HydrophobicContact CG-CD1 4.37Å; Q555-Y561 HydrophobicContact CG-CE1 4.23Å
556	P	94.7	Very high	90.5	Very high	75 Å²	75	85.9 Å²	85.9	49%	0.487	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	-29.4	-176.8	22.7	-35.4	0	0	0	113.5	E554 V560 W562	E554-P556 WeakPolarHBondContact O-CD 3.42Å; P556-V560 VanDerWaalsContact CD-O 3.26Å; P556-V560 WeakPolarHBondContact CD-O 3.4Å; P556-V560 HydrophobicContact CG-CG1 4.27Å; P556-W562 HydrophobicContact CG-CB 4.4Å
557	C	95.6	Very high	90.7	Very high	68 Å²	68	83 Å²	83	46%	0.459	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	157.2	175.1	-63.5	0	0	0	0	110	Q555 D559 V560	Q555-C557 WeakPolarHBondContact CG-O 3.11Å; Q555-C557 PolarHBondContact O-N 3.19Å; C557-D559 PolarHBondContact O-N 2.83Å; C557-V560 HydrophobicContact CB-CB 3.92Å; C557-V560 HydrophobicContact CB-CG2 3.88Å; C557-V560 PolarHBondContact O-N 3.42Å
558	P	94.6	Very high	91.1	Very high	115 Å²	115	85.6 Å²	85.6	75%	0.747	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.4	128.2	171.9	-26.4	35.1	0	0	0	111.2	V560	P558-V560 PolarHBondContact O-N 3.03Å; P558-V560 VanDerWaalsContact O-N 3.12Å
559	D	90.9	Very high	92.1	Very high	111 Å²	111	80.8 Å²	80.8	59%	0.594	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.5	18.5	-178	-56	-45.1	0	0	0	115.8	C557 Y633	C557-D559 PolarHBondContact O-N 2.83Å; D559-Y633 PolarHBondContact O-OH 3.19Å
560	V	94.3	Very high	93.4	Very high	77 Å²	77	72.5 Å²	72.5	47%	0.467	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.8	171.1	-178.3	0	0	0	0	108.8	Q555 P556 C557 P558	Q555-V560 WeakPolarHBondContact CA-O 3.35Å; Q555-V560 WeakPolarHBondContact CG-O 3.29Å; P556-V560 VanDerWaalsContact CD-O 3.26Å; P556-V560 WeakPolarHBondContact CD-O 3.4Å; P556-V560 HydrophobicContact CG-CG1 4.27Å; C557-V560 HydrophobicContact CB-CB 3.92Å; C557-V560 HydrophobicContact CB-CG2 3.88Å; C557-V560 PolarHBondContact O-N 3.42Å; P558-V560 PolarHBondContact O-N 3.03Å; P558-V560 VanDerWaalsContact O-N 3.12Å
561	Y	93.6	Very high	94.4	Very high	69 Å²	69	73.8 Å²	73.8	27%	0.271	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	144.7	180	-64.7	-85.2	0	0	0	111.4	V553 E554 Q555 L632 Y633	V553-Y561 HydrophobicContact CG1-CD1 3.92Å; E554-Y561 CarbonylContact O-C 3.57Å; E554-Y561 WeakPolarHBondContact O-CA 3.48Å; Q555-Y561 HydrophobicContact CB-CD1 4.21Å; Q555-Y561 HydrophobicContact CB-CE1 4.25Å; Q555-Y561 HydrophobicContact CG-CD1 4.37Å; Q555-Y561 HydrophobicContact CG-CE1 4.23Å; Y561-L632 HydrophobicContact CD1-CD1 3.97Å; Y561-L632 HydrophobicContact CD1-CD2 4.06Å; Y561-L632 HydrophobicContact CD1-CG 4.42Å; Y561-L632 HydrophobicContact CD2-CB 4.27Å; Y561-L632 HydrophobicContact CD2-CD1 4.13Å; Y561-L632 HydrophobicContact CE1-CB 4.48Å; Y561-L632 HydrophobicContact CE1-CD2 4.14Å; Y561-L632 HydrophobicContact CE2-CB 4.18Å; Y561-L632 HydrophobicContact CG-CB 4.46Å; Y561-L632 HydrophobicContact CG-CD1 3.67Å; Y561-L632 HydrophobicContact CG-CG 4.45Å; Y561-Y633 AromaticContact CD2-CE2 3.93Å; Y561-Y633 HydrophobicContact CD2-CE2 3.93Å; Y561-Y633 AromaticContact CD2-CZ 3.98Å; Y561-Y633 HydrophobicContact CE2-CE1 4.09Å; Y561-Y633 AromaticContact CE2-CE2 3.77Å; Y561-Y633 HydrophobicContact CE2-CE2 3.77Å; Y561-Y633 AromaticContact CE2-CZ 3.51Å; Y561-Y633 WeakPolarHBondContact CE2-OH 3.36Å
562	W	94.6	Very high	95.2	Very high	171 Å²	171	73.5 Å²	73.5	65%	0.648	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	176	-173.5	7.2	0	0	0	109.4	V553 E554 P556	V553-W562 WeakPolarHBondContact CA-O 3.36Å; E554-W562 HydrophobicContact CB-CB 4.4Å; E554-W562 PolarHBondContact N-O 2.91Å; E554-W562 PolarHBondContact O-N 3.14Å; P556-W562 HydrophobicContact CG-CB 4.4Å
563	F	95.3	Very high	95.6	Very high	42 Å²	42	71.3 Å²	71.3	18%	0.184	37%	0.373	C	S	.	.			trans	-147.9	156.6	179.3	60.4	-90.6	0	0	0	110.6	I545 V553 A565 I625 V628 L632	I545-F563 HydrophobicContact CD1-CB 3.78Å; I545-F563 HydrophobicContact CD1-CD2 3.61Å; I545-F563 HydrophobicContact CD1-CG 4.05Å; I545-F563 HydrophobicContact CG1-CB 4.28Å; V553-F563 HydrophobicContact CG2-CB 4.15Å; F563-A565 HydrophobicContact CE2-CB 4.19Å; F563-I625 HydrophobicContact CE2-CD1 3.98Å; F563-I625 HydrophobicContact CZ-CD1 4.03Å; F563-V628 HydrophobicContact CD1-CG1 3.86Å; F563-V628 HydrophobicContact CD2-CG1 4.15Å; F563-V628 HydrophobicContact CD2-CG2 4.49Å; F563-V628 HydrophobicContact CE1-CG1 3.71Å; F563-V628 HydrophobicContact CE2-CB 4.32Å; F563-V628 HydrophobicContact CE2-CG1 4Å; F563-V628 HydrophobicContact CE2-CG2 4.17Å; F563-V628 HydrophobicContact CG-CG1 4.09Å; F563-V628 HydrophobicContact CZ-CB 4.2Å; F563-V628 HydrophobicContact CZ-CG1 3.77Å; F563-L632 HydrophobicContact CD1-CD1 4.48Å
564	P	95.4	Very high	95.9	Very high	26 Å²	26	70.9 Å²	70.9	17%	0.169	37%	0.369	C	S	.	.			trans	-71	131	175.5	26.4	-32.8	0	0	0	111.7	H539 N541 I545 M552	H539-P564 HydrophobicContact CB-CB 3.96Å; H539-P564 VanDerWaalsContact CG-CB 3.47Å; H539-P564 WeakPolarHBondContact ND1-CB 3.37Å; N541-P564 HydrophobicContact CB-CG 4.46Å; I545-P564 HydrophobicContact CD1-CG 4.2Å; I545-P564 WeakPolarHBondContact CD1-O 3.3Å; I545-P564 HydrophobicContact CG1-CG 4.38Å; M552-P564 VanDerWaalsContact O-CD 3.29Å; M552-P564 WeakPolarHBondContact O-CD 3.44Å
565	A	95.7	Very high	96.1	Very high	24 Å²	24	69.6 Å²	69.6	20%	0.198	37%	0.369	C	S	.	.			trans	-122.6	-65.3	-178.1	0	0	0	0	0	112.5	H539 F563 F620 I625	H539-A565 PolarHBondContact N-O 2.75Å; F563-A565 HydrophobicContact CE2-CB 4.19Å; A565-F620 HydrophobicContact CB-CZ 4.34Å; A565-I625 HydrophobicContact CB-CD1 4.39Å
566	F	97.9	Very high	96.4	Very high	36 Å²	36	69.3 Å²	69.3	16%	0.158	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-98	151.5	-179.9	-73.8	-48.8	0	0	0	112.8	W533 Y537 H539 M570 W617 F620	W533-F566 HydrophobicContact CH2-CE1 4.1Å; Y537-F566 WeakPolarHBondContact O-CA 3.46Å; Y537-F566 WeakPolarHBondContact O-CD1 3.3Å; H539-F566 WeakPolarHBondContact CB-O 3.18Å; H539-F566 PolarHBondContact CD2-O 2.92Å; F566-M570 HydrophobicContact CB-CB 4.04Å; F566-M570 HydrophobicContact CB-CG 4.11Å; F566-M570 HydrophobicContact CD1-CB 4.07Å; F566-M570 HydrophobicContact CD1-CG 3.43Å; F566-M570 VanDerWaalsContact CD1-CG 3.43Å; F566-M570 HydrophobicContact CD2-CG 4.31Å; F566-M570 HydrophobicContact CE1-CE 4.12Å; F566-M570 HydrophobicContact CE1-CG 3.77Å; F566-M570 HydrophobicContact CG-CB 4.2Å; F566-M570 HydrophobicContact CG-CG 3.71Å; F566-M570 HydrophobicContact CZ-CE 4.15Å; F566-M570 HydrophobicContact CZ-CG 4.36Å; F566-W617 AromaticContact CE2-CH2 3.71Å; F566-W617 HydrophobicContact CE2-CH2 3.71Å; F566-W617 AromaticContact CE2-CZ3 3.5Å; F566-W617 HydrophobicContact CE2-CZ3 3.5Å; F566-W617 VanDerWaalsContact CE2-CZ3 3.5Å; F566-W617 HydrophobicContact CZ-CE3 4.28Å; F566-W617 HydrophobicContact CZ-CH2 4.08Å; F566-W617 AromaticContact CZ-CZ3 3.51Å; F566-W617 HydrophobicContact CZ-CZ3 3.51Å; F566-F620 HydrophobicContact CD1-CD2 4.47Å; F566-F620 AromaticContact CD1-CE2 3.82Å; F566-F620 HydrophobicContact CD1-CE2 3.82Å; F566-F620 AromaticContact CD1-CZ 3.89Å; F566-F620 HydrophobicContact CD1-CZ 3.89Å; F566-F620 HydrophobicContact CD2-CZ 4.38Å; F566-F620 AromaticContact CE1-CD1 3.98Å; F566-F620 HydrophobicContact CE1-CD1 3.98Å; F566-F620 AromaticContact CE1-CD2 3.53Å; F566-F620 HydrophobicContact CE1-CD2 3.53Å; F566-F620 AromaticContact CE1-CE1 3.71Å; F566-F620 HydrophobicContact CE1-CE1 3.71Å; F566-F620 AromaticContact CE1-CE2 3.23Å; F566-F620 HydrophobicContact CE1-CE2 3.23Å; F566-F620 AromaticContact CE1-CG 3.89Å; F566-F620 HydrophobicContact CE1-CG 3.89Å; F566-F620 AromaticContact CE1-CZ 3.32Å; F566-F620 HydrophobicContact CE1-CZ 3.32Å; F566-F620 HydrophobicContact CE2-CD1 4.31Å; F566-F620 AromaticContact CE2-CE1 3.7Å; F566-F620 HydrophobicContact CE2-CE1 3.7Å; F566-F620 AromaticContact CE2-CZ 3.85Å; F566-F620 HydrophobicContact CE2-CZ 3.85Å; F566-F620 HydrophobicContact CG-CZ 4.4Å; F566-F620 AromaticContact CZ-CD1 3.45Å; F566-F620 HydrophobicContact CZ-CD1 3.45Å; F566-F620 VanDerWaalsContact CZ-CD1 3.45Å; F566-F620 AromaticContact CZ-CD2 3.92Å; F566-F620 HydrophobicContact CZ-CD2 3.92Å; F566-F620 AromaticContact CZ-CE1 3.19Å; F566-F620 HydrophobicContact CZ-CE1 3.19Å; F566-F620 AromaticContact CZ-CE2 3.69Å; F566-F620 HydrophobicContact CZ-CE2 3.69Å; F566-F620 AromaticContact CZ-CG 3.81Å; F566-F620 HydrophobicContact CZ-CG 3.81Å; F566-F620 AromaticContact CZ-CZ 3.31Å; F566-F620 HydrophobicContact CZ-CZ 3.31Å
567	S	98.1	Very high	96.5	Very high	20 Å²	20	66.3 Å²	66.3	14%	0.14	35%	0.348	C	S	.	.			trans	-72.1	158.9	165.8	70.8	0	0	0	0	110.6	K536 Y537 K569 M570 C571	K536-S567 PolarHBondContact O-OG 3.44Å; Y537-S567 WeakPolarHBondContact CA-OG 2.91Å; Y537-S567 PolarHBondContact O-N 3.34Å; Y537-S567 PolarHBondContact O-OG 3.12Å; S567-K569 PolarHBondContact O-N 3.13Å; S567-M570 PolarHBondContact O-N 3.12Å; S567-M570 VanDerWaalsContact O-N 3.13Å; S567-M570 PolarHBondContact OG-N 2.6Å; S567-C571 PolarHBondContact O-N 3.42Å; S567-C571 PolarHBondContact O-SG 2.9Å; S567-C571 VanDerWaalsContact O-SG 3.42Å
568	E	97.9	Very high	96.5	Very high	166 Å²	166	63.7 Å²	63.7	78%	0.776	33%	0.329	S	S	*	.	H	α-helix	trans	-55.1	-37.4	172.7	-66.8	-175	166.7	0	0	111.3	M570 C571 D572	E568-M570 VanDerWaalsContact C-N 3.34Å; E568-M570 PolarHBondContact O-N 3.33Å; E568-C571 WeakPolarHBondContact O-CB 3.39Å; E568-C571 PolarHBondContact O-N 2.66Å; E568-C571 VanDerWaalsContact O-N 3.1Å; E568-D572 PolarHBondContact O-N 3.2Å
569	K	97.7	Very high	96.7	Very high	86 Å²	86	63.4 Å²	63.4	37%	0.374	32%	0.318	S	S	.	.	H	α-helix	trans	-59.6	-42	178.4	-168.4	58.4	164.3	172.2	0	112.8	K536 Y537 S567 H573	K536-K569 HydrophobicContact CG-CG 4.49Å; Y537-K569 HydrophobicContact CE1-CG 4.36Å; S567-K569 PolarHBondContact O-N 3.13Å; K569-H573 WeakPolarHBondContact CE-CE1 3.28Å; K569-H573 VanDerWaalsContact CE-NE2 3.3Å; K569-H573 WeakPolarHBondContact CE-NE2 3.38Å; K569-H573 PolarHBondContact NZ-NE2 3.33Å; K569-H573 VanDerWaalsContact NZ-NE2 3.2Å; K569-H573 VanDerWaalsContact O-CB 3.25Å; K569-H573 WeakPolarHBondContact O-CB 3.45Å; K569-H573 PolarHBondContact O-N 3.39Å
570	M	98.1	Very high	96.9	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-40.6	175.6	-179	56.6	-171.4	0	0	111.4	M523 Y537 F566 S567 E568 L574 F613	M523-M570 HydrophobicContact CE-CE 3.78Å; M523-M570 HydrophobicContact CE-SD 4.1Å; M523-M570 HydrophobicContact CG-SD 4.24Å; Y537-M570 HydrophobicContact CD1-CB 3.63Å; Y537-M570 HydrophobicContact CD1-CG 4.22Å; Y537-M570 HydrophobicContact CD1-SD 3.79Å; Y537-M570 HydrophobicContact CE1-SD 4.34Å; Y537-M570 HydrophobicContact CG-CB 4.15Å; Y537-M570 HydrophobicContact CG-CG 4.45Å; Y537-M570 HydrophobicContact CG-SD 3.95Å; Y537-M570 WeakPolarHBondContact O-CB 3.42Å; F566-M570 HydrophobicContact CB-CB 4.04Å; F566-M570 HydrophobicContact CB-CG 4.11Å; F566-M570 HydrophobicContact CD1-CB 4.07Å; F566-M570 HydrophobicContact CD1-CG 3.43Å; F566-M570 VanDerWaalsContact CD1-CG 3.43Å; F566-M570 HydrophobicContact CD2-CG 4.31Å; F566-M570 HydrophobicContact CE1-CE 4.12Å; F566-M570 HydrophobicContact CE1-CG 3.77Å; F566-M570 HydrophobicContact CG-CB 4.2Å; F566-M570 HydrophobicContact CG-CG 3.71Å; F566-M570 HydrophobicContact CZ-CE 4.15Å; F566-M570 HydrophobicContact CZ-CG 4.36Å; S567-M570 PolarHBondContact O-N 3.12Å; S567-M570 VanDerWaalsContact O-N 3.13Å; S567-M570 PolarHBondContact OG-N 2.6Å; E568-M570 VanDerWaalsContact C-N 3.34Å; E568-M570 PolarHBondContact O-N 3.33Å; M570-L574 HydrophobicContact CE-CB 4.38Å; M570-L574 HydrophobicContact CE-CD2 4.43Å; M570-L574 WeakPolarHBondContact O-CB 3.26Å; M570-L574 PolarHBondContact O-N 3.29Å; M570-F613 HydrophobicContact CE-CE1 3.93Å; M570-F613 HydrophobicContact CE-CZ 3.93Å
571	C	98.2	Very high	97	Very high	60 Å²	60	63.4 Å²	63.4	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-60.5	-50.7	177.3	-62.9	0	0	0	0	111	S567 E568 L574 V575	S567-C571 PolarHBondContact O-N 3.42Å; S567-C571 PolarHBondContact O-SG 2.9Å; S567-C571 VanDerWaalsContact O-SG 3.42Å; E568-C571 WeakPolarHBondContact O-CB 3.39Å; E568-C571 PolarHBondContact O-N 2.66Å; E568-C571 VanDerWaalsContact O-N 3.1Å; C571-L574 PolarHBondContact O-N 3.31Å; C571-V575 VanDerWaalsContact O-CG2 3.3Å; C571-V575 WeakPolarHBondContact O-CG2 3.21Å; C571-V575 PolarHBondContact O-N 3.06Å
572	D	98.4	Very high	97	Very high	89 Å²	89	62.2 Å²	62.2	48%	0.476	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-50	178.5	-68.3	-18.8	0	0	0	111	E568 L574 V575 E576	E568-D572 PolarHBondContact O-N 3.2Å; D572-L574 VanDerWaalsContact C-N 3.34Å; D572-L574 PolarHBondContact O-N 3.22Å; D572-V575 PolarHBondContact O-N 3.18Å; D572-E576 WeakPolarHBondContact O-CB 3.37Å; D572-E576 VanDerWaalsContact O-CG 3.28Å; D572-E576 WeakPolarHBondContact O-CG 3.27Å; D572-E576 PolarHBondContact O-N 3.18Å
573	H	98.3	Very high	96.8	Very high	13 Å²	13	59.5 Å²	59.5	6%	0.06	31%	0.313	C	S	.	.	H	α-helix	trans	-64.2	-37.8	-178.5	-74.1	-166.2	0	0	0	112.8	H520 M523 Y537 K569 T577	H520-H573 HydrophobicContact CB-CB 4.2Å; H520-H573 AromaticContact CD2-CD2 3.83Å; H520-H573 AromaticContact CD2-CG 3.84Å; H520-H573 PolarHBondContact CD2-O 3.2Å; H520-H573 AromaticContact CE1-CD2 3.43Å; H520-H573 PolarHBondContact CE1-CD2 3.39Å; H520-H573 VanDerWaalsContact CE1-CD2 3.43Å; H520-H573 AromaticContact CE1-CE1 3.96Å; H520-H573 AromaticContact CE1-NE2 3.32Å; H520-H573 PolarHBondContact CE1-NE2 2.94Å; H520-H573 VanDerWaalsContact CE1-NE2 3.32Å; H520-H573 AromaticContact CG-CD2 3.81Å; H520-H573 AromaticContact CG-CE1 3.87Å; H520-H573 AromaticContact CG-CG 3.68Å; H520-H573 AromaticContact CG-ND1 3.79Å; H520-H573 AromaticContact CG-NE2 3.89Å; H520-H573 AromaticContact ND1-CD2 3.57Å; H520-H573 AromaticContact ND1-CE1 3.41Å; H520-H573 PolarHBondContact ND1-CE1 2.65Å; H520-H573 AromaticContact ND1-CG 3.85Å; H520-H573 AromaticContact ND1-ND1 3.82Å; H520-H573 AromaticContact ND1-NE2 3.25Å; H520-H573 PolarHBondContact ND1-NE2 2.84Å; H520-H573 AromaticContact NE2-CD2 3.57Å; H520-H573 AromaticContact NE2-NE2 3.95Å; M523-H573 HydrophobicContact CG-CB 4.12Å; M523-H573 HydrophobicContact SD-CB 3.67Å; Y537-H573 AromaticContact CE1-ND1 3.59Å; Y537-H573 AromaticContact CZ-ND1 3.97Å; Y537-H573 PolarHBondContact OH-ND1 2.97Å; K569-H573 WeakPolarHBondContact CE-CE1 3.28Å; K569-H573 VanDerWaalsContact CE-NE2 3.3Å; K569-H573 WeakPolarHBondContact CE-NE2 3.38Å; K569-H573 PolarHBondContact NZ-NE2 3.33Å; K569-H573 VanDerWaalsContact NZ-NE2 3.2Å; K569-H573 VanDerWaalsContact O-CB 3.25Å; K569-H573 WeakPolarHBondContact O-CB 3.45Å; K569-H573 PolarHBondContact O-N 3.39Å; H573-T577 VanDerWaalsContact O-CB 3.28Å; H573-T577 WeakPolarHBondContact O-CB 3.39Å; H573-T577 PolarHBondContact O-N 3.37Å; H573-T577 PolarHBondContact O-OG1 3.17Å
574	L	98	Very high	96.5	Very high	28 Å²	28	62.3 Å²	62.3	15%	0.147	32%	0.323	C	S	.	.	H	α-helix	trans	-67.2	-45.4	175.7	-175.7	63.4	0	0	0	111.2	M523 M570 C571 D572 T577 M578 F613 W617	M523-L574 HydrophobicContact CE-CB 3.9Å; M523-L574 HydrophobicContact CE-CD1 3.6Å; M523-L574 HydrophobicContact CE-CG 4.37Å; M570-L574 HydrophobicContact CE-CB 4.38Å; M570-L574 HydrophobicContact CE-CD2 4.43Å; M570-L574 WeakPolarHBondContact O-CB 3.26Å; M570-L574 PolarHBondContact O-N 3.29Å; C571-L574 PolarHBondContact O-N 3.31Å; D572-L574 VanDerWaalsContact C-N 3.34Å; D572-L574 PolarHBondContact O-N 3.22Å; L574-T577 PolarHBondContact O-N 3.1Å; L574-M578 HydrophobicContact CD1-CE 3.74Å; L574-M578 HydrophobicContact CG-CE 4.48Å; L574-M578 VanDerWaalsContact O-CG 3.28Å; L574-M578 WeakPolarHBondContact O-CG 3.38Å; L574-M578 PolarHBondContact O-N 3.31Å; L574-F613 HydrophobicContact CD1-CD1 4.4Å; L574-F613 HydrophobicContact CD1-CE1 4.33Å; L574-W617 HydrophobicContact CD2-CZ3 4.37Å
575	V	98.2	Very high	96.1	Very high	86 Å²	86	61.6 Å²	61.6	52%	0.521	32%	0.319	S	S	.	.	H	α-helix	trans	-61.8	-49.6	177.2	170.6	0	0	0	0	110.7	C571 D572 T577 M578 E579	C571-V575 VanDerWaalsContact O-CG2 3.3Å; C571-V575 WeakPolarHBondContact O-CG2 3.21Å; C571-V575 PolarHBondContact O-N 3.06Å; D572-V575 PolarHBondContact O-N 3.18Å; V575-T577 VanDerWaalsContact C-N 3.27Å; V575-T577 PolarHBondContact O-N 3.01Å; V575-M578 PolarHBondContact O-N 3.34Å; V575-M578 VanDerWaalsContact O-N 3.1Å; V575-E579 HydrophobicContact CG1-CG 4.39Å; V575-E579 WeakPolarHBondContact O-CG 3.24Å; V575-E579 PolarHBondContact O-N 2.96Å
576	E	98.3	Very high	95.3	Very high	93 Å²	93	64.2 Å²	64.2	44%	0.435	35%	0.347	S	S	.	.	H	α-helix	trans	-58.2	-39.7	177.8	-72.8	174.2	-179.9	0	0	111.9	L519 H520 D572 E579 D580	L519-E576 HydrophobicContact CD2-CB 4.06Å; H520-E576 IonicContact CD2-OE2 3.24Å; H520-E576 IonicContact CE1-OE2 3.92Å; H520-E576 PolarHBondContact CE1-OE2 3.36Å; H520-E576 IonicContact NE2-OE2 3.89Å; H520-E576 PolarHBondContact NE2-OE2 3.15Å; D572-E576 WeakPolarHBondContact O-CB 3.37Å; D572-E576 VanDerWaalsContact O-CG 3.28Å; D572-E576 WeakPolarHBondContact O-CG 3.27Å; D572-E576 PolarHBondContact O-N 3.18Å; E576-E579 PolarHBondContact O-N 3.47Å; E576-D580 VanDerWaalsContact O-CB 3.3Å; E576-D580 WeakPolarHBondContact O-CB 3.47Å; E576-D580 PolarHBondContact O-N 3.03Å
577	T	97.8	Very high	94.2	Very high	12 Å²	12	63.9 Å²	63.9	7%	0.074	36%	0.355	C	S	.	.	H	α-helix	trans	-64.8	-40.5	176	-62.2	0	0	0	0	112.3	W524 H573 L574 V575 Y581 I611	W524-T577 HydrophobicContact CH2-CG2 3.86Å; W524-T577 HydrophobicContact CZ3-CG2 4.48Å; H573-T577 VanDerWaalsContact O-CB 3.28Å; H573-T577 WeakPolarHBondContact O-CB 3.39Å; H573-T577 PolarHBondContact O-N 3.37Å; H573-T577 PolarHBondContact O-OG1 3.17Å; L574-T577 PolarHBondContact O-N 3.1Å; V575-T577 VanDerWaalsContact C-N 3.27Å; V575-T577 PolarHBondContact O-N 3.01Å; T577-Y581 PolarHBondContact O-N 2.88Å; T577-Y581 VanDerWaalsContact O-N 3.15Å; T577-I611 HydrophobicContact CG2-CD1 4.01Å
578	M	96.4	Very high	93	Very high	14 Å²	14	65.8 Å²	65.8	7%	0.069	37%	0.368	C	S	.	.	H	α-helix	trans	-68.2	-40.8	177.8	-66.7	-61.3	175.9	0	0	111.4	L574 V575 Y581 G582 W584 I606 M608 I611	L574-M578 HydrophobicContact CD1-CE 3.74Å; L574-M578 HydrophobicContact CG-CE 4.48Å; L574-M578 VanDerWaalsContact O-CG 3.28Å; L574-M578 WeakPolarHBondContact O-CG 3.38Å; L574-M578 PolarHBondContact O-N 3.31Å; V575-M578 PolarHBondContact O-N 3.34Å; V575-M578 VanDerWaalsContact O-N 3.1Å; M578-Y581 PolarHBondContact O-N 2.94Å; M578-G582 PolarHBondContact O-N 3.22Å; M578-W584 HydrophobicContact CB-CH2 4.1Å; M578-W584 HydrophobicContact CB-CZ2 3.99Å; M578-I606 HydrophobicContact CB-CD1 4.06Å; M578-I606 VanDerWaalsContact O-CD1 3.26Å; M578-I606 WeakPolarHBondContact O-CD1 3.47Å; M578-I606 HydrophobicContact SD-CB 3.79Å; M578-I606 HydrophobicContact SD-CD1 4.28Å; M578-I606 HydrophobicContact SD-CG2 3.62Å; M578-M608 HydrophobicContact CE-CE 3.61Å; M578-M608 HydrophobicContact CE-SD 3.56Å; M578-M608 VanDerWaalsContact CE-SD 3.56Å; M578-I611 HydrophobicContact CE-CD1 3.39Å; M578-I611 HydrophobicContact CE-CG1 4.21Å; M578-I611 HydrophobicContact SD-CD1 3.89Å; M578-I611 HydrophobicContact SD-CG2 4.27Å
579	E	97.3	Very high	91.7	Very high	109 Å²	109	61.9 Å²	61.9	51%	0.509	35%	0.349	S	S	.	.	H	α-helix	trans	-69	-36.9	177.3	-66.2	-62.3	175.1	0	0	112.8	V575 E576 Y581 G582 W584	V575-E579 HydrophobicContact CG1-CG 4.39Å; V575-E579 WeakPolarHBondContact O-CG 3.24Å; V575-E579 PolarHBondContact O-N 2.96Å; E576-E579 PolarHBondContact O-N 3.47Å; E579-Y581 VanDerWaalsContact C-N 3.3Å; E579-Y581 PolarHBondContact O-N 3.09Å; E579-G582 WeakPolarHBondContact O-CA 3.42Å; E579-G582 PolarHBondContact O-N 2.7Å; E579-W584 HydrophobicContact CG-CZ2 4.43Å; E579-W584 WeakPolarHBondContact OE1-CZ2 3.39Å; E579-W584 PolarHBondContact OE2-NE1 2.85Å
580	D	96.6	Very high	90.4	Very high	118 Å²	118	65.7 Å²	65.7	63%	0.631	37%	0.366	S	S	*	.	H	α-helix	trans	-63.1	-37	173.7	-176.5	69.3	0	0	0	111.9	L519 E576	L519-D580 HydrophobicContact CD2-CB 3.89Å; E576-D580 VanDerWaalsContact O-CB 3.3Å; E576-D580 WeakPolarHBondContact O-CB 3.47Å; E576-D580 PolarHBondContact O-N 3.03Å
581	Y	95.6	Very high	89	Confident	70 Å²	70	66.3 Å²	66.3	28%	0.275	37%	0.369	S	S	.	.	H	α-helix	trans	-66.1	-42.3	171.5	-178.1	-115.6	0	0	0	112	T577 M578 E579 Q583 I606 Q610 I611	T577-Y581 PolarHBondContact O-N 2.88Å; T577-Y581 VanDerWaalsContact O-N 3.15Å; M578-Y581 PolarHBondContact O-N 2.94Å; E579-Y581 VanDerWaalsContact C-N 3.3Å; E579-Y581 PolarHBondContact O-N 3.09Å; Y581-Q583 HydrophobicContact CD1-CB 4.04Å; Y581-Q583 HydrophobicContact CE1-CB 3.6Å; Y581-Q583 HydrophobicContact CE1-CG 4.2Å; Y581-Q583 HydrophobicContact CE2-CG 4.49Å; Y581-Q583 PolarHBondContact O-N 2.76Å; Y581-Q583 PolarHBondContact OH-OE1 3.05Å; Y581-Q583 VanDerWaalsContact OH-OE1 3.1Å; Y581-I606 HydrophobicContact CD1-CD1 3.88Å; Y581-I606 HydrophobicContact CD1-CG1 4.12Å; Y581-I606 HydrophobicContact CD1-CG2 3.75Å; Y581-I606 HydrophobicContact CE1-CG2 3.96Å; Y581-Q610 HydrophobicContact CE1-CB 4.05Å; Y581-I611 HydrophobicContact CD1-CG2 3.9Å; Y581-I611 HydrophobicContact CD2-CG2 4.14Å; Y581-I611 HydrophobicContact CE1-CG2 4.44Å; Y581-I611 HydrophobicContact CG-CG2 3.71Å
582	G	92.9	Very high	87.8	Confident	43 Å²	43	72.7 Å²	72.7	44%	0.443	39%	0.393	S	S	.	.			trans	69	-6.3	166.6	0	0	0	0	0	117	M578 E579 W584	M578-G582 PolarHBondContact O-N 3.22Å; E579-G582 WeakPolarHBondContact O-CA 3.42Å; E579-G582 PolarHBondContact O-N 2.7Å; G582-W584 VanDerWaalsContact C-N 3.28Å; G582-W584 PolarHBondContact O-N 2.85Å; G582-W584 VanDerWaalsContact O-N 3.11Å
583	Q	91.3	Very high	86.7	Confident	115 Å²	115	71.7 Å²	71.7	54%	0.537	38%	0.383	S	S	.	.			trans	-88.6	57.8	-179.2	-56.4	-177.6	9.2	0	0	112.2	Y581 R593	Y581-Q583 HydrophobicContact CD1-CB 4.04Å; Y581-Q583 HydrophobicContact CE1-CB 3.6Å; Y581-Q583 HydrophobicContact CE1-CG 4.2Å; Y581-Q583 HydrophobicContact CE2-CG 4.49Å; Y581-Q583 PolarHBondContact O-N 2.76Å; Y581-Q583 PolarHBondContact OH-OE1 3.05Å; Y581-Q583 VanDerWaalsContact OH-OE1 3.1Å; Q583-R593 PolarHBondContact O-NH1 3.38Å
584	W	89.4	Confident	85.5	Confident	100 Å²	100	73 Å²	73	38%	0.379	39%	0.39	S	S	.	.			trans	-60.6	146.7	176.1	-66.1	97.7	0	0	0	112.6	M578 E579 G582 V604 I606	M578-W584 HydrophobicContact CB-CH2 4.1Å; M578-W584 HydrophobicContact CB-CZ2 3.99Å; E579-W584 HydrophobicContact CG-CZ2 4.43Å; E579-W584 WeakPolarHBondContact OE1-CZ2 3.39Å; E579-W584 PolarHBondContact OE2-NE1 2.85Å; G582-W584 VanDerWaalsContact C-N 3.28Å; G582-W584 PolarHBondContact O-N 2.85Å; G582-W584 VanDerWaalsContact O-N 3.11Å; W584-V604 HydrophobicContact CB-CG1 4.15Å; W584-V604 HydrophobicContact CE3-CG1 4.24Å; W584-I606 HydrophobicContact CD2-CD1 3.67Å; W584-I606 HydrophobicContact CD2-CG1 4.08Å; W584-I606 HydrophobicContact CE3-CD1 3.97Å; W584-I606 HydrophobicContact CE3-CG1 3.99Å; W584-I606 HydrophobicContact CG-CD1 4.1Å; W584-I606 HydrophobicContact CG-CG1 4.46Å; W584-I606 HydrophobicContact CH2-CD1 4.34Å; W584-I606 HydrophobicContact CZ2-CD1 4.08Å; W584-I606 HydrophobicContact CZ3-CD1 4.29Å; W584-I606 HydrophobicContact CZ3-CG1 4.43Å
585	S	85.9	Confident	83.9	Confident	12 Å²	12	78.3 Å²	78.3	8%	0.084	43%	0.429	C	S	.	.			trans	-64.9	157.5	175.3	110.8	0	0	0	0	111.5	G587 R593 T603 V604 D605	S585-G587 PolarHBondContact O-N 3.38Å; S585-G587 PolarHBondContact OG-N 3.32Å; S585-R593 VanDerWaalsContact CB-CZ 3.46Å; S585-R593 VanDerWaalsContact N-NH1 3.17Å; S585-T603 PolarHBondContact OG-O 3.31Å; S585-V604 WeakPolarHBondContact OG-CA 3.48Å; S585-D605 PolarHBondContact N-O 2.89Å
586	G	78.7	Confident	82.4	Confident	78 Å²	78	77.9 Å²	77.9	80%	0.804	44%	0.443	S	S	*	.			trans	-78.6	0.6	172.8	0	0	0	0	0	114.8	S588	G586-S588 VanDerWaalsContact C-N 3.32Å
587	G	74.9	Confident	81.1	Confident	30 Å²	30	74.8 Å²	74.8	31%	0.309	44%	0.436	S	S	.	.	S	Bend	trans	65	34.1	-174	0	0	0	0	0	113.1	S585	S585-G587 PolarHBondContact O-N 3.38Å; S585-G587 PolarHBondContact OG-N 3.32Å
588	S	73.7	Confident	79.9	Confident	59 Å²	59	80.7 Å²	80.7	41%	0.413	46%	0.457	S	S	.	.	S	Bend	trans	-115.4	148.1	-176.8	110.9	0	0	0	0	110.6	G586 K590	G586-S588 VanDerWaalsContact C-N 3.32Å; S588-K590 PolarHBondContact O-N 3.14Å; S588-K590 PolarHBondContact OG-N 2.9Å; S588-K590 VanDerWaalsContact OG-N 3.16Å; S588-K590 PolarHBondContact OG-O 2.92Å
589	H	69.2	Low	78.6	Confident	85 Å²	85	81 Å²	81	39%	0.394	46%	0.459	S	S	.	.	S	Bend	trans	-59.3	-14.3	176.1	-75.3	-71.7	0	0	0	114.4	Y598 E599 P602	H589-Y598 HydrophobicContact CB-CD2 4.4Å; H589-Y598 HydrophobicContact CB-CE2 3.83Å; H589-Y598 CarbonylContact O-C 3.5Å; H589-Y598 VanDerWaalsContact O-CA 3.23Å; H589-Y598 WeakPolarHBondContact O-CA 3.43Å; H589-Y598 VanDerWaalsContact O-CD2 3.22Å; H589-Y598 WeakPolarHBondContact O-CD2 3.39Å; H589-E599 PolarHBondContact ND1-O 3.45Å; H589-E599 PolarHBondContact O-N 2.8Å; H589-P602 WeakPolarHBondContact CE1-CD 3.26Å
590	K	70.6	Confident	77	Confident	166 Å²	166	82.3 Å²	82.3	72%	0.722	47%	0.469	S	S	*	.	B	Isolated β-bridge	trans	-103.5	118.7	172.5	-69	-175.4	178.9	-176.5	0	109.4	S588 G597	S588-K590 PolarHBondContact O-N 3.14Å; S588-K590 PolarHBondContact OG-N 2.9Å; S588-K590 VanDerWaalsContact OG-N 3.16Å; S588-K590 PolarHBondContact OG-O 2.92Å; K590-G597 WeakPolarHBondContact CA-O 3.41Å
591	D	70.4	Confident	75.7	Confident	12 Å²	12	81.9 Å²	81.9	6%	0.064	47%	0.471	C	S	.	.			trans	-134.2	104.4	176.3	-167.5	-19.6	0	0	0	110.4	R593 L594 G597	D591-R593 PolarHBondContact O-N 3.33Å; D591-R593 WeakPolarHBondContact OD1-CA 3.37Å; D591-R593 WeakPolarHBondContact OD1-CB 3.43Å; D591-R593 WeakPolarHBondContact OD1-CG 3.42Å; D591-R593 IonicContact OD1-CZ 3.35Å; D591-R593 PolarHBondContact OD1-N 2.93Å; D591-R593 IonicContact OD1-NE 2.81Å; D591-R593 PolarHBondContact OD1-NE 2.89Å; D591-R593 IonicContact OD2-CZ 2.59Å; D591-R593 VanDerWaalsContact OD2-CZ 3.24Å; D591-R593 IonicContact OD2-NE 3.79Å; D591-R593 PolarHBondContact OD2-NE 3.47Å; D591-R593 IonicContact OD2-NH2 3.53Å; D591-R593 PolarHBondContact OD2-NH2 3.41Å; D591-L594 HydrophobicContact CB-CD1 4Å; D591-L594 HydrophobicContact CB-CG 4.12Å; D591-L594 PolarHBondContact O-N 2.91Å; D591-L594 VanDerWaalsContact O-N 3.13Å; D591-G597 PolarHBondContact N-O 3.12Å; D591-G597 CarbonylContact O-C 3.52Å; D591-G597 VanDerWaalsContact O-CA 3.23Å; D591-G597 WeakPolarHBondContact O-CA 3.36Å
592	E	71.4	Confident	74.7	Confident	194 Å²	194	80.7 Å²	80.7	91%	0.907	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-11	-179.8	-60.8	-173.9	170.3	0	0	113.1	L594	E592-L594 VanDerWaalsContact C-N 3.27Å
593	R	74.9	Confident	74.1	Confident	69 Å²	69	82.1 Å²	82.1	26%	0.26	47%	0.472	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-17.4	175	-49.5	169.2	-51.3	146.9	15.8	111.4	Q583 S585 D591 D605 Q610	Q583-R593 PolarHBondContact O-NH1 3.38Å; S585-R593 VanDerWaalsContact CB-CZ 3.46Å; S585-R593 VanDerWaalsContact N-NH1 3.17Å; D591-R593 PolarHBondContact O-N 3.33Å; D591-R593 WeakPolarHBondContact OD1-CA 3.37Å; D591-R593 WeakPolarHBondContact OD1-CB 3.43Å; D591-R593 WeakPolarHBondContact OD1-CG 3.42Å; D591-R593 IonicContact OD1-CZ 3.35Å; D591-R593 PolarHBondContact OD1-N 2.93Å; D591-R593 IonicContact OD1-NE 2.81Å; D591-R593 PolarHBondContact OD1-NE 2.89Å; D591-R593 IonicContact OD2-CZ 2.59Å; D591-R593 VanDerWaalsContact OD2-CZ 3.24Å; D591-R593 IonicContact OD2-NE 3.79Å; D591-R593 PolarHBondContact OD2-NE 3.47Å; D591-R593 IonicContact OD2-NH2 3.53Å; D591-R593 PolarHBondContact OD2-NH2 3.41Å; R593-D605 PolarHBondContact NH1-O 3.11Å; R593-D605 PolarHBondContact NH2-O 3.43Å; R593-D605 IonicContact NH2-OD1 3.03Å; R593-D605 PolarHBondContact NH2-OD1 3.1Å; R593-Q610 VanDerWaalsContact CD-NE2 3.34Å
594	L	73.4	Confident	73.8	Confident	39 Å²	39	81.1 Å²	81.1	20%	0.204	47%	0.473	C	S	.	.	S	Bend	trans	-92.2	143.9	178.9	-65.6	178.2	0	0	0	112.8	D591 E592 G596 G597 E599	D591-L594 HydrophobicContact CB-CD1 4Å; D591-L594 HydrophobicContact CB-CG 4.12Å; D591-L594 PolarHBondContact O-N 2.91Å; D591-L594 VanDerWaalsContact O-N 3.13Å; E592-L594 VanDerWaalsContact C-N 3.27Å; L594-G596 PolarHBondContact O-N 3.25Å; L594-G597 PolarHBondContact O-N 2.94Å; L594-G597 VanDerWaalsContact O-N 3.09Å; L594-E599 HydrophobicContact CD1-CB 4.04Å; L594-E599 HydrophobicContact CD1-CG 4.4Å
595	S	64.8	Low	73.7	Confident	140 Å²	140	77.6 Å²	77.6	98%	0.979	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	94.3	170.5	-68.5	0	0	0	0	109.7
596	G	67.4	Low	73.8	Confident	78 Å²	78	77.7 Å²	77.7	80%	0.804	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	125.4	-11.6	-174.8	0	0	0	0	0	114.4	L594 Y598	L594-G596 PolarHBondContact O-N 3.25Å; G596-Y598 PolarHBondContact O-N 2.98Å; G596-Y598 VanDerWaalsContact O-N 3.16Å
597	G	70.7	Confident	74.4	Confident	28 Å²	28	76.8 Å²	76.8	29%	0.289	44%	0.436	S	S	.	.	S	Bend	trans	71.3	4.6	170.1	0	0	0	0	0	116	K590 D591 L594	K590-G597 WeakPolarHBondContact CA-O 3.41Å; D591-G597 PolarHBondContact N-O 3.12Å; D591-G597 CarbonylContact O-C 3.52Å; D591-G597 VanDerWaalsContact O-CA 3.23Å; D591-G597 WeakPolarHBondContact O-CA 3.36Å; L594-G597 PolarHBondContact O-N 2.94Å; L594-G597 VanDerWaalsContact O-N 3.09Å
598	Y	71.4	Confident	75.2	Confident	135 Å²	135	77.3 Å²	77.3	53%	0.529	43%	0.431	S	S	.	.	B	Isolated β-bridge	trans	-137.4	131	-171.3	-168.4	-91.4	0	0	0	112.5	H589 G596 N600	H589-Y598 HydrophobicContact CB-CD2 4.4Å; H589-Y598 HydrophobicContact CB-CE2 3.83Å; H589-Y598 CarbonylContact O-C 3.5Å; H589-Y598 VanDerWaalsContact O-CA 3.23Å; H589-Y598 WeakPolarHBondContact O-CA 3.43Å; H589-Y598 VanDerWaalsContact O-CD2 3.22Å; H589-Y598 WeakPolarHBondContact O-CD2 3.39Å; G596-Y598 PolarHBondContact O-N 2.98Å; G596-Y598 VanDerWaalsContact O-N 3.16Å; Y598-N600 WeakPolarHBondContact CE1-OD1 3.34Å
599	E	70	Confident	76.1	Confident	22 Å²	22	78.3 Å²	78.3	10%	0.103	43%	0.432	C	S	.	.			trans	-111.7	124.2	178	-169.7	175.4	-154.5	0	0	110.8	H589 L594 V601 P602 T603	H589-E599 PolarHBondContact ND1-O 3.45Å; H589-E599 PolarHBondContact O-N 2.8Å; L594-E599 HydrophobicContact CD1-CB 4.04Å; L594-E599 HydrophobicContact CD1-CG 4.4Å; E599-V601 VanDerWaalsContact C-N 3.32Å; E599-V601 PolarHBondContact O-N 3.2Å; E599-P602 WeakPolarHBondContact OE2-CA 3.35Å; E599-T603 PolarHBondContact OE2-N 3.23Å
600	N	64.4	Low	77.1	Confident	135 Å²	135	76 Å²	76	72%	0.722	42%	0.421	S	S	*	.	S	Bend	trans	-70.2	-28.8	-175.1	-69.2	-23.9	0	0	0	112.8	Y598	Y598-N600 WeakPolarHBondContact CE1-OD1 3.34Å
601	V	68.9	Low	78.2	Confident	110 Å²	110	69.3 Å²	69.3	67%	0.667	39%	0.393	S	S	*	.	S	Bend	trans	-136.8	98.8	178	-177.1	0	0	0	0	107.7	E599 T603	E599-V601 VanDerWaalsContact C-N 3.32Å; E599-V601 PolarHBondContact O-N 3.2Å; V601-T603 PolarHBondContact O-N 3.36Å
602	P	74.1	Confident	79.4	Confident	44 Å²	44	70.6 Å²	70.6	29%	0.286	41%	0.409	S	S	.	.			trans	-75	123.1	-168.2	28.3	-33.2	0	0	0	111.2	H589 E599	H589-P602 WeakPolarHBondContact CE1-CD 3.26Å; E599-P602 WeakPolarHBondContact OE2-CA 3.35Å
603	T	79.6	Confident	80.5	Confident	74 Å²	74	61.4 Å²	61.4	45%	0.454	37%	0.366	S	S	.	.			trans	-125.2	156.3	173.3	37	0	0	0	0	110.6	S585 E599 V601 D605	S585-T603 PolarHBondContact OG-O 3.31Å; E599-T603 PolarHBondContact OE2-N 3.23Å; V601-T603 PolarHBondContact O-N 3.36Å; T603-D605 WeakPolarHBondContact CB-OD2 3.33Å; T603-D605 PolarHBondContact O-N 3.35Å; T603-D605 PolarHBondContact OG1-OD2 3.07Å
604	V	86.6	Confident	81.5	Confident	94 Å²	94	62.7 Å²	62.7	57%	0.57	38%	0.375	S	S	*	.	S	Bend	trans	-83.1	105.2	170.3	174.5	0	0	0	0	107.3	W584 S585	W584-V604 HydrophobicContact CB-CG1 4.15Å; W584-V604 HydrophobicContact CE3-CG1 4.24Å; S585-V604 WeakPolarHBondContact OG-CA 3.48Å
605	D	86.3	Confident	82.6	Confident	25 Å²	25	68 Å²	68	13%	0.134	40%	0.396	C	S	.	.			trans	-151.7	172	-167.4	54	39.3	0	0	0	114.4	S585 R593 T603 H607	S585-D605 PolarHBondContact N-O 2.89Å; R593-D605 PolarHBondContact NH1-O 3.11Å; R593-D605 PolarHBondContact NH2-O 3.43Å; R593-D605 IonicContact NH2-OD1 3.03Å; R593-D605 PolarHBondContact NH2-OD1 3.1Å; T603-D605 WeakPolarHBondContact CB-OD2 3.33Å; T603-D605 PolarHBondContact O-N 3.35Å; T603-D605 PolarHBondContact OG1-OD2 3.07Å; D605-H607 IonicContact OD1-NE2 2.95Å
606	I	89.2	Confident	84.1	Confident	14 Å²	14	62.5 Å²	62.5	7%	0.072	36%	0.355	C	S	.	.			trans	-131.8	126.4	168.5	-65.1	160.3	0	0	0	106.8	M578 Y581 W584 Q610 I611	M578-I606 HydrophobicContact CB-CD1 4.06Å; M578-I606 VanDerWaalsContact O-CD1 3.26Å; M578-I606 WeakPolarHBondContact O-CD1 3.47Å; M578-I606 HydrophobicContact SD-CB 3.79Å; M578-I606 HydrophobicContact SD-CD1 4.28Å; M578-I606 HydrophobicContact SD-CG2 3.62Å; Y581-I606 HydrophobicContact CD1-CD1 3.88Å; Y581-I606 HydrophobicContact CD1-CG1 4.12Å; Y581-I606 HydrophobicContact CD1-CG2 3.75Å; Y581-I606 HydrophobicContact CE1-CG2 3.96Å; W584-I606 HydrophobicContact CD2-CD1 3.67Å; W584-I606 HydrophobicContact CD2-CG1 4.08Å; W584-I606 HydrophobicContact CE3-CD1 3.97Å; W584-I606 HydrophobicContact CE3-CG1 3.99Å; W584-I606 HydrophobicContact CG-CD1 4.1Å; W584-I606 HydrophobicContact CG-CG1 4.46Å; W584-I606 HydrophobicContact CH2-CD1 4.34Å; W584-I606 HydrophobicContact CZ2-CD1 4.08Å; W584-I606 HydrophobicContact CZ3-CD1 4.29Å; W584-I606 HydrophobicContact CZ3-CG1 4.43Å; I606-Q610 HydrophobicContact CG2-CB 4.28Å; I606-I611 HydrophobicContact CG2-CG2 3.93Å
607	H	89.6	Confident	85.6	Confident	60 Å²	60	62 Å²	62	28%	0.278	33%	0.329	S	S	.	.			trans	-79.5	146.1	175.1	-67.9	-93.9	0	0	0	111.3	D605 N609 Q610	D605-H607 IonicContact OD1-NE2 2.95Å; H607-N609 WeakPolarHBondContact CB-OD1 3.33Å; H607-N609 PolarHBondContact O-N 2.82Å; H607-N609 VanDerWaalsContact O-N 3.12Å; H607-Q610 HydrophobicContact CB-CG 4.21Å; H607-Q610 WeakPolarHBondContact O-CB 3.48Å; H607-Q610 PolarHBondContact O-N 3.33Å
608	M	93.2	Very high	86.8	Confident	41 Å²	41	63.5 Å²	63.5	20%	0.202	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-28.8	-178.2	-60.8	-62.3	157.1	0	0	113.3	M578 Q610 I611 G612 F613 E614 W617	M578-M608 HydrophobicContact CE-CE 3.61Å; M578-M608 HydrophobicContact CE-SD 3.56Å; M578-M608 VanDerWaalsContact CE-SD 3.56Å; M608-Q610 VanDerWaalsContact C-N 3.34Å; M608-I611 WeakPolarHBondContact O-CG1 3.47Å; M608-G612 PolarHBondContact O-N 2.96Å; M608-F613 PolarHBondContact O-N 2.95Å; M608-F613 HydrophobicContact SD-CD1 3.87Å; M608-E614 HydrophobicContact CB-CB 4.19Å; M608-E614 PolarHBondContact O-N 3.46Å; M608-W617 HydrophobicContact CB-CB 4.43Å; M608-W617 HydrophobicContact CE-CD2 4.46Å; M608-W617 HydrophobicContact CE-CE3 4.39Å; M608-W617 HydrophobicContact CG-CB 4.09Å; M608-W617 HydrophobicContact CG-CD2 4.34Å; M608-W617 HydrophobicContact CG-CG 3.94Å; M608-W617 HydrophobicContact SD-CD2 4.49Å; M608-W617 HydrophobicContact SD-CE3 4.48Å
609	N	91.3	Very high	88	Confident	80 Å²	80	59.7 Å²	59.7	43%	0.428	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.1	177	63.6	-8.8	0	0	0	112.7	H607 I611 G612 E614	H607-N609 WeakPolarHBondContact CB-OD1 3.33Å; H607-N609 PolarHBondContact O-N 2.82Å; H607-N609 VanDerWaalsContact O-N 3.12Å; N609-I611 VanDerWaalsContact C-N 3.3Å; N609-I611 PolarHBondContact O-N 3.11Å; N609-G612 PolarHBondContact O-N 3.15Å; N609-G612 VanDerWaalsContact O-N 3.07Å; N609-E614 HydrophobicContact CB-CB 4.11Å
610	Q	90	Very high	89.3	Confident	37 Å²	37	58.9 Å²	58.9	17%	0.173	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-32.4	-179.6	-62.2	178.6	-97.2	0	0	112.1	Y581 R593 I606 H607 M608	Y581-Q610 HydrophobicContact CE1-CB 4.05Å; R593-Q610 VanDerWaalsContact CD-NE2 3.34Å; I606-Q610 HydrophobicContact CG2-CB 4.28Å; H607-Q610 HydrophobicContact CB-CG 4.21Å; H607-Q610 WeakPolarHBondContact O-CB 3.48Å; H607-Q610 PolarHBondContact O-N 3.33Å; M608-Q610 VanDerWaalsContact C-N 3.34Å
611	I	94.5	Very high	90.8	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.128	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	3.2	173.3	64.1	158.4	0	0	0	112.9	T577 M578 Y581 I606 M608 N609 F613	T577-I611 HydrophobicContact CG2-CD1 4.01Å; M578-I611 HydrophobicContact CE-CD1 3.39Å; M578-I611 HydrophobicContact CE-CG1 4.21Å; M578-I611 HydrophobicContact SD-CD1 3.89Å; M578-I611 HydrophobicContact SD-CG2 4.27Å; Y581-I611 HydrophobicContact CD1-CG2 3.9Å; Y581-I611 HydrophobicContact CD2-CG2 4.14Å; Y581-I611 HydrophobicContact CE1-CG2 4.44Å; Y581-I611 HydrophobicContact CG-CG2 3.71Å; I606-I611 HydrophobicContact CG2-CG2 3.93Å; M608-I611 WeakPolarHBondContact O-CG1 3.47Å; N609-I611 VanDerWaalsContact C-N 3.3Å; N609-I611 PolarHBondContact O-N 3.11Å; I611-F613 VanDerWaalsContact C-N 3.34Å; I611-F613 HydrophobicContact CD1-CB 3.63Å; I611-F613 HydrophobicContact CD1-CG 4.36Å; I611-F613 HydrophobicContact CG1-CB 3.76Å; I611-F613 PolarHBondContact O-N 3.18Å
612	G	94.8	Very high	92.1	Very high	38 Å²	38	54.2 Å²	54.2	39%	0.392	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.9	35.8	-178.1	0	0	0	0	0	114.1	W524 M608 N609	W524-G612 PolarHBondContact NE1-O 2.64Å; M608-G612 PolarHBondContact O-N 2.96Å; N609-G612 PolarHBondContact O-N 3.15Å; N609-G612 VanDerWaalsContact O-N 3.07Å
613	F	96.3	Very high	93.1	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.009	28%	0.278	C	S	.	.			trans	-111.6	3.1	177.6	-164.8	-121.3	0	0	0	113.3	M523 W524 M570 L574 M608 I611 K615 E616 W617	M523-F613 HydrophobicContact CB-CE2 4.06Å; M523-F613 HydrophobicContact CB-CZ 4.28Å; M523-F613 HydrophobicContact CE-CE1 4.14Å; M523-F613 HydrophobicContact CE-CE2 4.46Å; M523-F613 HydrophobicContact CE-CZ 4Å; M523-F613 WeakPolarHBondContact O-CE2 3.29Å; W524-F613 AromaticContact CD1-CD2 3.81Å; W524-F613 AromaticContact CD2-CD2 3.72Å; W524-F613 HydrophobicContact CD2-CD2 3.72Å; W524-F613 HydrophobicContact CD2-CE2 4.07Å; W524-F613 AromaticContact CE2-CD2 3.43Å; W524-F613 VanDerWaalsContact CE2-CD2 3.43Å; W524-F613 HydrophobicContact CE3-CD2 4.36Å; W524-F613 HydrophobicContact CE3-CE2 4.47Å; W524-F613 AromaticContact CG-CD2 4Å; W524-F613 HydrophobicContact CG-CD2 4Å; W524-F613 HydrophobicContact CG-CE2 4.23Å; W524-F613 HydrophobicContact CH2-CD2 4.45Å; W524-F613 HydrophobicContact CZ2-CB 3.94Å; W524-F613 AromaticContact CZ2-CD2 3.85Å; W524-F613 HydrophobicContact CZ2-CD2 3.85Å; W524-F613 HydrophobicContact CZ2-CG 4.23Å; W524-F613 AromaticContact NE1-CD2 3.49Å; M570-F613 HydrophobicContact CE-CE1 3.93Å; M570-F613 HydrophobicContact CE-CZ 3.93Å; L574-F613 HydrophobicContact CD1-CD1 4.4Å; L574-F613 HydrophobicContact CD1-CE1 4.33Å; M608-F613 PolarHBondContact O-N 2.95Å; M608-F613 HydrophobicContact SD-CD1 3.87Å; I611-F613 VanDerWaalsContact C-N 3.34Å; I611-F613 HydrophobicContact CD1-CB 3.63Å; I611-F613 HydrophobicContact CD1-CG 4.36Å; I611-F613 HydrophobicContact CG1-CB 3.76Å; I611-F613 PolarHBondContact O-N 3.18Å; F613-K615 VanDerWaalsContact C-N 3.34Å; F613-K615 PolarHBondContact O-N 3.43Å; F613-E616 WeakPolarHBondContact CA-OE2 3.46Å; F613-E616 HydrophobicContact CD2-CB 3.56Å; F613-E616 HydrophobicContact CD2-CG 3.92Å; F613-E616 HydrophobicContact CE2-CB 3.38Å; F613-E616 HydrophobicContact CE2-CG 3.88Å; F613-E616 HydrophobicContact CG-CB 4.26Å; F613-E616 HydrophobicContact CZ-CB 3.94Å; F613-E616 PolarHBondContact O-N 2.91Å; F613-W617 HydrophobicContact CD1-CB 4.42Å; F613-W617 HydrophobicContact CE1-CE3 4.31Å; F613-W617 WeakPolarHBondContact O-CB 3.44Å; F613-W617 PolarHBondContact O-N 3.33Å
614	E	95.6	Very high	93.8	Very high	95 Å²	95	52 Å²	52	44%	0.444	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-41.4	-176.9	179.9	178.2	-131.7	0	0	113	M608 N609 W617 L618	M608-E614 HydrophobicContact CB-CB 4.19Å; M608-E614 PolarHBondContact O-N 3.46Å; N609-E614 HydrophobicContact CB-CB 4.11Å; E614-W617 PolarHBondContact O-N 2.93Å; E614-L618 HydrophobicContact CG-CD1 4.01Å; E614-L618 HydrophobicContact CG-CG 4.41Å; E614-L618 WeakPolarHBondContact O-CB 3.43Å; E614-L618 VanDerWaalsContact O-CG 3.24Å; E614-L618 WeakPolarHBondContact O-CG 3.24Å; E614-L618 PolarHBondContact O-N 3.4Å
615	K	96.4	Very high	94.3	Very high	151 Å²	151	49.3 Å²	49.3	66%	0.657	24%	0.242	S	C	*	.	H	α-helix	trans	-66.5	-42.7	-177.9	-68.6	-179.5	-179.3	175.5	0	111.4	F527 F613 L618 K619	F527-K615 HydrophobicContact CE2-CB 4.2Å; F527-K615 HydrophobicContact CZ-CB 4.31Å; F527-K615 WeakPolarHBondContact CZ-O 3.45Å; F613-K615 VanDerWaalsContact C-N 3.34Å; F613-K615 PolarHBondContact O-N 3.43Å; K615-L618 PolarHBondContact O-N 3.4Å; K615-K619 WeakPolarHBondContact O-CB 3.42Å; K615-K619 PolarHBondContact O-N 2.96Å
616	E	96.8	Very high	94.7	Very high	25 Å²	25	48.7 Å²	48.7	12%	0.117	24%	0.24	C	C	.	.	H	α-helix	trans	-66.5	-42.9	178.5	-65.3	70.2	-160.2	0	0	110.5	W524 I526 F527 F613 K619 F620	W524-E616 HydrophobicContact CB-CG 4.37Å; W524-E616 HydrophobicContact CG-CG 4.19Å; I526-E616 HydrophobicContact CG2-CB 3.86Å; I526-E616 HydrophobicContact CG2-CG 3.92Å; F527-E616 HydrophobicContact CD2-CG 4.31Å; F527-E616 HydrophobicContact CE2-CG 3.99Å; F613-E616 WeakPolarHBondContact CA-OE2 3.46Å; F613-E616 HydrophobicContact CD2-CB 3.56Å; F613-E616 HydrophobicContact CD2-CG 3.92Å; F613-E616 HydrophobicContact CE2-CB 3.38Å; F613-E616 HydrophobicContact CE2-CG 3.88Å; F613-E616 HydrophobicContact CG-CB 4.26Å; F613-E616 HydrophobicContact CZ-CB 3.94Å; F613-E616 PolarHBondContact O-N 2.91Å; E616-K619 WeakPolarHBondContact O-CB 3.43Å; E616-K619 PolarHBondContact O-N 3.37Å; E616-F620 PolarHBondContact O-N 3.22Å
617	W	97	Very high	94.9	Very high	66 Å²	66	50.2 Å²	50.2	25%	0.25	25%	0.251	C	S	.	.	H	α-helix	trans	-60.8	-47.3	173.7	-174.9	-103.3	0	0	0	112.3	F566 L574 M608 F613 E614 K619 F620 L621	F566-W617 AromaticContact CE2-CH2 3.71Å; F566-W617 HydrophobicContact CE2-CH2 3.71Å; F566-W617 AromaticContact CE2-CZ3 3.5Å; F566-W617 HydrophobicContact CE2-CZ3 3.5Å; F566-W617 VanDerWaalsContact CE2-CZ3 3.5Å; F566-W617 HydrophobicContact CZ-CE3 4.28Å; F566-W617 HydrophobicContact CZ-CH2 4.08Å; F566-W617 AromaticContact CZ-CZ3 3.51Å; F566-W617 HydrophobicContact CZ-CZ3 3.51Å; L574-W617 HydrophobicContact CD2-CZ3 4.37Å; M608-W617 HydrophobicContact CB-CB 4.43Å; M608-W617 HydrophobicContact CE-CD2 4.46Å; M608-W617 HydrophobicContact CE-CE3 4.39Å; M608-W617 HydrophobicContact CG-CB 4.09Å; M608-W617 HydrophobicContact CG-CD2 4.34Å; M608-W617 HydrophobicContact CG-CG 3.94Å; M608-W617 HydrophobicContact SD-CD2 4.49Å; M608-W617 HydrophobicContact SD-CE3 4.48Å; F613-W617 HydrophobicContact CD1-CB 4.42Å; F613-W617 HydrophobicContact CE1-CE3 4.31Å; F613-W617 WeakPolarHBondContact O-CB 3.44Å; F613-W617 PolarHBondContact O-N 3.33Å; E614-W617 PolarHBondContact O-N 2.93Å; W617-K619 VanDerWaalsContact C-N 3.29Å; W617-K619 PolarHBondContact O-N 2.82Å; W617-F620 HydrophobicContact CE3-CD1 4.48Å; W617-F620 HydrophobicContact CZ3-CD1 4.43Å; W617-F620 WeakPolarHBondContact O-CB 3.48Å; W617-F620 PolarHBondContact O-N 2.95Å; W617-F620 VanDerWaalsContact O-N 3.14Å; W617-L621 HydrophobicContact CZ2-CD2 4.46Å; W617-L621 WeakPolarHBondContact O-CG 3.14Å; W617-L621 PolarHBondContact O-N 2.71Å
618	L	96.7	Very high	95.1	Very high	60 Å²	60	47.3 Å²	47.3	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-61.8	-37.5	175.8	-71.6	171.7	0	0	0	111.8	E614 K615 L621 K622 V640	E614-L618 HydrophobicContact CG-CD1 4.01Å; E614-L618 HydrophobicContact CG-CG 4.41Å; E614-L618 WeakPolarHBondContact O-CB 3.43Å; E614-L618 VanDerWaalsContact O-CG 3.24Å; E614-L618 WeakPolarHBondContact O-CG 3.24Å; E614-L618 PolarHBondContact O-N 3.4Å; K615-L618 PolarHBondContact O-N 3.4Å; L618-L621 HydrophobicContact CD2-CD1 4.44Å; L618-L621 PolarHBondContact O-N 3.03Å; L618-K622 WeakPolarHBondContact O-CB 3.16Å; L618-K622 PolarHBondContact O-N 2.95Å; L618-V640 HydrophobicContact CB-CG1 4.2Å; L618-V640 HydrophobicContact CD2-CG1 3.85Å; L618-V640 WeakPolarHBondContact O-CG1 3.48Å
619	K	96.4	Very high	95.1	Very high	55 Å²	55	47 Å²	47	24%	0.239	24%	0.238	C	C	.	.	H	α-helix	trans	-63.2	-42.7	173.7	-178.6	57.8	168	155.2	0	111.5	I526 F527 K615 E616 W617 K622 D623	I526-K619 HydrophobicContact CD1-CB 4.17Å; I526-K619 HydrophobicContact CD1-CG 3.87Å; I526-K619 HydrophobicContact CG1-CG 4Å; I526-K619 HydrophobicContact CG2-CB 4.26Å; I526-K619 HydrophobicContact CG2-CG 4.11Å; F527-K619 HydrophobicContact CD1-CD 4.24Å; F527-K619 HydrophobicContact CD1-CG 4.02Å; F527-K619 HydrophobicContact CE1-CB 3.69Å; F527-K619 HydrophobicContact CE1-CD 3.75Å; F527-K619 HydrophobicContact CE1-CG 3.56Å; F527-K619 HydrophobicContact CE2-CB 4.19Å; F527-K619 HydrophobicContact CZ-CB 3.48Å; F527-K619 VanDerWaalsContact CZ-CB 3.48Å; F527-K619 HydrophobicContact CZ-CD 4.44Å; F527-K619 HydrophobicContact CZ-CG 3.87Å; K615-K619 WeakPolarHBondContact O-CB 3.42Å; K615-K619 PolarHBondContact O-N 2.96Å; E616-K619 WeakPolarHBondContact O-CB 3.43Å; E616-K619 PolarHBondContact O-N 3.37Å; W617-K619 VanDerWaalsContact C-N 3.29Å; W617-K619 PolarHBondContact O-N 2.82Å; K619-K622 PolarHBondContact O-N 3.26Å; K619-D623 WeakPolarHBondContact CD-OD2 3.12Å; K619-D623 WeakPolarHBondContact CE-OD2 3.44Å; K619-D623 IonicContact NZ-OD1 3.13Å; K619-D623 PolarHBondContact NZ-OD1 3.21Å; K619-D623 IonicContact NZ-OD2 2.64Å; K619-D623 PolarHBondContact NZ-OD2 2.96Å; K619-D623 WeakPolarHBondContact O-CB 3.46Å; K619-D623 PolarHBondContact O-N 3.22Å
620	F	97.4	Very high	95.2	Very high	6 Å²	6	47.3 Å²	47.3	3%	0.026	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-48.3	173.4	167.9	-102.1	0	0	0	111.8	I526 W533 A565 F566 E616 W617 K622 D623 Y624 I625	I526-F620 HydrophobicContact CD1-CB 3.9Å; W533-F620 HydrophobicContact CH2-CB 4.3Å; W533-F620 AromaticContact CH2-CD2 3.75Å; W533-F620 HydrophobicContact CH2-CD2 3.75Å; W533-F620 HydrophobicContact CH2-CG 4.34Å; W533-F620 HydrophobicContact CZ3-CD2 4.1Å; A565-F620 HydrophobicContact CB-CZ 4.34Å; F566-F620 HydrophobicContact CD1-CD2 4.47Å; F566-F620 AromaticContact CD1-CE2 3.82Å; F566-F620 HydrophobicContact CD1-CE2 3.82Å; F566-F620 AromaticContact CD1-CZ 3.89Å; F566-F620 HydrophobicContact CD1-CZ 3.89Å; F566-F620 HydrophobicContact CD2-CZ 4.38Å; F566-F620 AromaticContact CE1-CD1 3.98Å; F566-F620 HydrophobicContact CE1-CD1 3.98Å; F566-F620 AromaticContact CE1-CD2 3.53Å; F566-F620 HydrophobicContact CE1-CD2 3.53Å; F566-F620 AromaticContact CE1-CE1 3.71Å; F566-F620 HydrophobicContact CE1-CE1 3.71Å; F566-F620 AromaticContact CE1-CE2 3.23Å; F566-F620 HydrophobicContact CE1-CE2 3.23Å; F566-F620 AromaticContact CE1-CG 3.89Å; F566-F620 HydrophobicContact CE1-CG 3.89Å; F566-F620 AromaticContact CE1-CZ 3.32Å; F566-F620 HydrophobicContact CE1-CZ 3.32Å; F566-F620 HydrophobicContact CE2-CD1 4.31Å; F566-F620 AromaticContact CE2-CE1 3.7Å; F566-F620 HydrophobicContact CE2-CE1 3.7Å; F566-F620 AromaticContact CE2-CZ 3.85Å; F566-F620 HydrophobicContact CE2-CZ 3.85Å; F566-F620 HydrophobicContact CG-CZ 4.4Å; F566-F620 AromaticContact CZ-CD1 3.45Å; F566-F620 HydrophobicContact CZ-CD1 3.45Å; F566-F620 VanDerWaalsContact CZ-CD1 3.45Å; F566-F620 AromaticContact CZ-CD2 3.92Å; F566-F620 HydrophobicContact CZ-CD2 3.92Å; F566-F620 AromaticContact CZ-CE1 3.19Å; F566-F620 HydrophobicContact CZ-CE1 3.19Å; F566-F620 AromaticContact CZ-CE2 3.69Å; F566-F620 HydrophobicContact CZ-CE2 3.69Å; F566-F620 AromaticContact CZ-CG 3.81Å; F566-F620 HydrophobicContact CZ-CG 3.81Å; F566-F620 AromaticContact CZ-CZ 3.31Å; F566-F620 HydrophobicContact CZ-CZ 3.31Å; E616-F620 PolarHBondContact O-N 3.22Å; W617-F620 HydrophobicContact CE3-CD1 4.48Å; W617-F620 HydrophobicContact CZ3-CD1 4.43Å; W617-F620 WeakPolarHBondContact O-CB 3.48Å; W617-F620 PolarHBondContact O-N 2.95Å; W617-F620 VanDerWaalsContact O-N 3.14Å; F620-K622 VanDerWaalsContact C-N 3.28Å; F620-K622 PolarHBondContact O-N 3.41Å; F620-D623 PolarHBondContact O-N 2.64Å; F620-Y624 AromaticContact CD2-CD2 3.52Å; F620-Y624 HydrophobicContact CD2-CD2 3.52Å; F620-Y624 HydrophobicContact CD2-CE2 4.37Å; F620-Y624 AromaticContact CD2-CG 3.92Å; F620-Y624 HydrophobicContact CD2-CG 3.92Å; F620-Y624 HydrophobicContact CE2-CD2 4.03Å; F620-Y624 AromaticContact CE2-CG 3.94Å; F620-Y624 HydrophobicContact CE2-CG 3.94Å; F620-Y624 HydrophobicContact CG-CD2 4.43Å; F620-Y624 WeakPolarHBondContact O-CB 3.41Å; F620-Y624 PolarHBondContact O-N 3.12Å; F620-I625 HydrophobicContact CD1-CG1 4.27Å; F620-I625 HydrophobicContact CE1-CD1 3.84Å; F620-I625 HydrophobicContact CE1-CG1 3.65Å; F620-I625 HydrophobicContact CZ-CD1 3.78Å; F620-I625 HydrophobicContact CZ-CG1 4.02Å
621	L	96.3	Very high	95.2	Very high	46 Å²	46	49.5 Å²	49.5	24%	0.241	25%	0.246	C	C	.	.	I	π-helix	trans	-57.3	-43.2	176.9	-67.8	-177.1	0	0	0	111.6	W617 L618 I625 A626 V640	W617-L621 HydrophobicContact CZ2-CD2 4.46Å; W617-L621 WeakPolarHBondContact O-CG 3.14Å; W617-L621 PolarHBondContact O-N 2.71Å; L618-L621 HydrophobicContact CD2-CD1 4.44Å; L618-L621 PolarHBondContact O-N 3.03Å; L621-I625 HydrophobicContact CD2-CB 4.08Å; L621-I625 HydrophobicContact CD2-CG1 3.74Å; L621-I625 HydrophobicContact CD2-CG2 4.44Å; L621-I625 CarbonylContact O-C 3.56Å; L621-I625 WeakPolarHBondContact O-CA 3.43Å; L621-I625 WeakPolarHBondContact O-CB 3.37Å; L621-I625 PolarHBondContact O-N 2.97Å; L621-A626 PolarHBondContact O-N 3.15Å; L621-V640 HydrophobicContact CB-CG1 4.25Å; L621-V640 HydrophobicContact CB-CG2 4.29Å
622	K	95.4	Very high	95	Very high	100 Å²	100	49.8 Å²	49.8	44%	0.435	25%	0.248	S	C	.	.	I	π-helix	trans	-66.5	-44.9	179.6	-177.8	176.8	177.4	173.6	0	112.9	L618 K619 F620 V640 T642	L618-K622 WeakPolarHBondContact O-CB 3.16Å; L618-K622 PolarHBondContact O-N 2.95Å; K619-K622 PolarHBondContact O-N 3.26Å; F620-K622 VanDerWaalsContact C-N 3.28Å; F620-K622 PolarHBondContact O-N 3.41Å; K622-V640 HydrophobicContact CB-CB 4.03Å; K622-V640 HydrophobicContact CB-CG1 4.22Å; K622-V640 HydrophobicContact CB-CG2 4.21Å; K622-T642 HydrophobicContact CD-CG2 4.41Å
623	D	94.9	Very high	94.9	Very high	51 Å²	51	52 Å²	52	27%	0.273	25%	0.245	S	C	.	.	I	π-helix	trans	-86.2	-26.8	-171.7	-71.3	5.4	0	0	0	112.7	K619 F620	K619-D623 WeakPolarHBondContact CD-OD2 3.12Å; K619-D623 WeakPolarHBondContact CE-OD2 3.44Å; K619-D623 IonicContact NZ-OD1 3.13Å; K619-D623 PolarHBondContact NZ-OD1 3.21Å; K619-D623 IonicContact NZ-OD2 2.64Å; K619-D623 PolarHBondContact NZ-OD2 2.96Å; K619-D623 WeakPolarHBondContact O-CB 3.46Å; K619-D623 PolarHBondContact O-N 3.22Å; F620-D623 PolarHBondContact O-N 2.64Å
624	Y	95.9	Very high	94.5	Very high	20 Å²	20	57.5 Å²	57.5	8%	0.078	28%	0.281	C	S	.	.	I	π-helix	trans	-122.6	-29.9	-171.6	-60.8	-85.1	0	0	0	114.9	I526 W533 R534 V538 Y542 F620 V628	I526-Y624 HydrophobicContact CD1-CE2 4.45Å; W533-Y624 HydrophobicContact CE3-CE2 4.41Å; W533-Y624 HydrophobicContact CZ3-CD2 4.45Å; W533-Y624 AromaticContact CZ3-CE2 3.89Å; W533-Y624 HydrophobicContact CZ3-CE2 3.89Å; R534-Y624 WeakPolarHBondContact CB-OH 3.37Å; R534-Y624 HydrophobicContact CG-CE1 4Å; R534-Y624 WeakPolarHBondContact CG-OH 3.45Å; V538-Y624 HydrophobicContact CB-CE1 4.43Å; V538-Y624 HydrophobicContact CG1-CD1 4.14Å; V538-Y624 HydrophobicContact CG1-CE1 4.14Å; V538-Y624 HydrophobicContact CG2-CD1 3.99Å; V538-Y624 HydrophobicContact CG2-CE1 3.66Å; V538-Y624 HydrophobicContact CG2-CE2 4.26Å; V538-Y624 HydrophobicContact CG2-CG 4.45Å; Y542-Y624 HydrophobicContact CD1-CD1 4.12Å; Y542-Y624 AromaticContact CE1-CD1 3.61Å; Y542-Y624 HydrophobicContact CE1-CD1 3.61Å; Y542-Y624 HydrophobicContact CE1-CE1 4.29Å; Y542-Y624 HydrophobicContact CE2-CD1 4.29Å; Y542-Y624 WeakPolarHBondContact CE2-O 3.28Å; Y542-Y624 AromaticContact CZ-CD1 3.73Å; Y542-Y624 VanDerWaalsContact OH-CA 3.27Å; Y542-Y624 WeakPolarHBondContact OH-CA 3.38Å; Y542-Y624 PolarHBondContact OH-O 2.88Å; F620-Y624 AromaticContact CD2-CD2 3.52Å; F620-Y624 HydrophobicContact CD2-CD2 3.52Å; F620-Y624 HydrophobicContact CD2-CE2 4.37Å; F620-Y624 AromaticContact CD2-CG 3.92Å; F620-Y624 HydrophobicContact CD2-CG 3.92Å; F620-Y624 HydrophobicContact CE2-CD2 4.03Å; F620-Y624 AromaticContact CE2-CG 3.94Å; F620-Y624 HydrophobicContact CE2-CG 3.94Å; F620-Y624 HydrophobicContact CG-CD2 4.43Å; F620-Y624 WeakPolarHBondContact O-CB 3.41Å; F620-Y624 PolarHBondContact O-N 3.12Å; Y624-V628 WeakPolarHBondContact O-CG2 3.11Å
625	I	95.8	Very high	94	Very high	39 Å²	39	55.9 Å²	55.9	20%	0.2	29%	0.289	C	S	.	.	I	π-helix	trans	-96.5	-40.4	-178	-56.6	-56.1	0	0	0	112.2	F563 A565 F620 L621 V628 T629	F563-I625 HydrophobicContact CE2-CD1 3.98Å; F563-I625 HydrophobicContact CZ-CD1 4.03Å; A565-I625 HydrophobicContact CB-CD1 4.39Å; F620-I625 HydrophobicContact CD1-CG1 4.27Å; F620-I625 HydrophobicContact CE1-CD1 3.84Å; F620-I625 HydrophobicContact CE1-CG1 3.65Å; F620-I625 HydrophobicContact CZ-CD1 3.78Å; F620-I625 HydrophobicContact CZ-CG1 4.02Å; L621-I625 HydrophobicContact CD2-CB 4.08Å; L621-I625 HydrophobicContact CD2-CG1 3.74Å; L621-I625 HydrophobicContact CD2-CG2 4.44Å; L621-I625 CarbonylContact O-C 3.56Å; L621-I625 WeakPolarHBondContact O-CA 3.43Å; L621-I625 WeakPolarHBondContact O-CB 3.37Å; L621-I625 PolarHBondContact O-N 2.97Å; I625-V628 PolarHBondContact O-N 2.9Å; I625-T629 WeakPolarHBondContact O-CB 3.49Å; I625-T629 PolarHBondContact O-N 2.57Å; I625-T629 PolarHBondContact O-OG1 3.48Å
626	A	94.8	Very high	93.6	Very high	11 Å²	11	55.3 Å²	55.3	9%	0.091	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-46.2	177.8	0	0	0	0	0	112.7	L621 V628 T629 E630 P638 V640	L621-A626 PolarHBondContact O-N 3.15Å; A626-V628 VanDerWaalsContact C-N 3.33Å; A626-V628 PolarHBondContact O-N 2.84Å; A626-T629 WeakPolarHBondContact O-CB 3.28Å; A626-T629 PolarHBondContact O-N 3.36Å; A626-E630 WeakPolarHBondContact O-CG 3.34Å; A626-E630 PolarHBondContact O-N 2.92Å; A626-P638 HydrophobicContact CB-CB 4.48Å; A626-P638 HydrophobicContact CB-CG 3.72Å; A626-V640 HydrophobicContact CB-CG2 4.44Å
627	P	94.4	Very high	93.1	Very high	46 Å²	46	62.3 Å²	62.3	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-63.6	-35.8	178.5	-24	36.1	0	0	0	113.6	F546 K631	F546-P627 HydrophobicContact CE1-CB 4.11Å; F546-P627 HydrophobicContact CZ-CB 3.94Å; P627-K631 PolarHBondContact O-N 2.57Å; P627-K631 VanDerWaalsContact O-N 3.11Å
628	V	93.8	Very high	92.5	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.7	-45	174.9	179.1	0	0	0	0	110	Y542 I545 F546 F563 Y624 I625 A626 E630 K631 L632	Y542-V628 HydrophobicContact CE2-CG2 3.8Å; I545-V628 HydrophobicContact CD1-CG2 4.43Å; I545-V628 HydrophobicContact CG2-CG1 4.19Å; I545-V628 HydrophobicContact CG2-CG2 4.21Å; F546-V628 HydrophobicContact CE1-CG2 4.36Å; F546-V628 HydrophobicContact CE2-CG2 4.17Å; F546-V628 HydrophobicContact CZ-CB 4.49Å; F546-V628 HydrophobicContact CZ-CG2 3.57Å; F563-V628 HydrophobicContact CD1-CG1 3.86Å; F563-V628 HydrophobicContact CD2-CG1 4.15Å; F563-V628 HydrophobicContact CD2-CG2 4.49Å; F563-V628 HydrophobicContact CE1-CG1 3.71Å; F563-V628 HydrophobicContact CE2-CB 4.32Å; F563-V628 HydrophobicContact CE2-CG1 4Å; F563-V628 HydrophobicContact CE2-CG2 4.17Å; F563-V628 HydrophobicContact CG-CG1 4.09Å; F563-V628 HydrophobicContact CZ-CB 4.2Å; F563-V628 HydrophobicContact CZ-CG1 3.77Å; Y624-V628 WeakPolarHBondContact O-CG2 3.11Å; I625-V628 PolarHBondContact O-N 2.9Å; A626-V628 VanDerWaalsContact C-N 3.33Å; A626-V628 PolarHBondContact O-N 2.84Å; V628-E630 VanDerWaalsContact C-N 3.35Å; V628-E630 PolarHBondContact O-N 3.49Å; V628-K631 WeakPolarHBondContact O-CB 3.23Å; V628-K631 PolarHBondContact O-N 2.97Å; V628-K631 VanDerWaalsContact O-N 3.15Å; V628-L632 HydrophobicContact CG1-CD1 3.66Å; V628-L632 HydrophobicContact CG1-CG 4.22Å; V628-L632 WeakPolarHBondContact O-CG 3.23Å; V628-L632 PolarHBondContact O-N 2.88Å
629	T	93.2	Very high	91.6	Very high	35 Å²	35	67.6 Å²	67.6	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-58.9	-44	177	-59.7	0	0	0	0	112	I625 A626 K631 L632 Y633 Y636 P638	I625-T629 WeakPolarHBondContact O-CB 3.49Å; I625-T629 PolarHBondContact O-N 2.57Å; I625-T629 PolarHBondContact O-OG1 3.48Å; A626-T629 WeakPolarHBondContact O-CB 3.28Å; A626-T629 PolarHBondContact O-N 3.36Å; T629-K631 VanDerWaalsContact C-N 3.33Å; T629-K631 PolarHBondContact O-N 2.87Å; T629-L632 PolarHBondContact O-N 2.9Å; T629-Y633 HydrophobicContact CG2-CD2 4.33Å; T629-Y633 PolarHBondContact O-N 2.83Å; T629-Y636 HydrophobicContact CG2-CD1 3.75Å; T629-Y636 HydrophobicContact CG2-CE1 3.85Å; T629-P638 HydrophobicContact CG2-CG 4.24Å
630	E	92.5	Very high	90.3	Very high	85 Å²	85	66.6 Å²	66.6	40%	0.397	33%	0.334	S	S	.	.	H	α-helix	trans	-62.8	-37.3	175.7	-71.3	-177.3	-178.4	0	0	112.4	A626 V628 Y633 P638	A626-E630 WeakPolarHBondContact O-CG 3.34Å; A626-E630 PolarHBondContact O-N 2.92Å; V628-E630 VanDerWaalsContact C-N 3.35Å; V628-E630 PolarHBondContact O-N 3.49Å; E630-Y633 CarbonylContact O-C 3.55Å; E630-P638 VanDerWaalsContact CG-CD 3.49Å; E630-P638 HydrophobicContact CG-CG 4.16Å
631	K	91	Very high	88.2	Confident	84 Å²	84	68.8 Å²	68.8	37%	0.365	36%	0.358	S	S	.	.	H	α-helix	trans	-66	-44.2	175.4	178.1	172.7	178	171.5	0	111.8	I545 F546 E547 P627 V628 T629	I545-K631 PolarHBondContact O-NZ 3.13Å; F546-K631 VanDerWaalsContact CA-NZ 3.3Å; F546-K631 HydrophobicContact CD1-CD 3.9Å; F546-K631 HydrophobicContact CE1-CB 4.47Å; F546-K631 HydrophobicContact CE1-CD 4.4Å; F546-K631 PolarHBondContact O-NZ 3.43Å; F546-K631 VanDerWaalsContact O-NZ 3.09Å; E547-K631 PolarHBondContact O-NZ 2.97Å; P627-K631 PolarHBondContact O-N 2.57Å; P627-K631 VanDerWaalsContact O-N 3.11Å; V628-K631 WeakPolarHBondContact O-CB 3.23Å; V628-K631 PolarHBondContact O-N 2.97Å; V628-K631 VanDerWaalsContact O-N 3.15Å; T629-K631 VanDerWaalsContact C-N 3.33Å; T629-K631 PolarHBondContact O-N 2.87Å
632	L	90.4	Very high	85.7	Confident	31 Å²	31	71.6 Å²	71.6	16%	0.162	38%	0.377	C	S	.	.	H	α-helix	trans	-80.8	-25.7	-174.4	-61.9	175.6	0	0	0	113.3	V553 Y561 F563 V628 T629 P634	V553-L632 HydrophobicContact CG1-CD1 4.1Å; V553-L632 HydrophobicContact CG1-CD2 3.84Å; Y561-L632 HydrophobicContact CD1-CD1 3.97Å; Y561-L632 HydrophobicContact CD1-CD2 4.06Å; Y561-L632 HydrophobicContact CD1-CG 4.42Å; Y561-L632 HydrophobicContact CD2-CB 4.27Å; Y561-L632 HydrophobicContact CD2-CD1 4.13Å; Y561-L632 HydrophobicContact CE1-CB 4.48Å; Y561-L632 HydrophobicContact CE1-CD2 4.14Å; Y561-L632 HydrophobicContact CE2-CB 4.18Å; Y561-L632 HydrophobicContact CG-CB 4.46Å; Y561-L632 HydrophobicContact CG-CD1 3.67Å; Y561-L632 HydrophobicContact CG-CG 4.45Å; F563-L632 HydrophobicContact CD1-CD1 4.48Å; V628-L632 HydrophobicContact CG1-CD1 3.66Å; V628-L632 HydrophobicContact CG1-CG 4.22Å; V628-L632 WeakPolarHBondContact O-CG 3.23Å; V628-L632 PolarHBondContact O-N 2.88Å; T629-L632 PolarHBondContact O-N 2.9Å; L632-P634 VanDerWaalsContact C-CD 3.5Å; L632-P634 WeakPolarHBondContact O-CD 3.33Å
633	Y	91.6	Very high	82.9	Confident	84 Å²	84	74.7 Å²	74.7	33%	0.329	39%	0.393	S	S	.	.	S	Bend	trans	-121.4	76.9	175.3	-66.6	-78.2	0	0	0	111.5	D559 Y561 T629 E630 G635 Y636	D559-Y633 PolarHBondContact O-OH 3.19Å; Y561-Y633 AromaticContact CD2-CE2 3.93Å; Y561-Y633 HydrophobicContact CD2-CE2 3.93Å; Y561-Y633 AromaticContact CD2-CZ 3.98Å; Y561-Y633 HydrophobicContact CE2-CE1 4.09Å; Y561-Y633 AromaticContact CE2-CE2 3.77Å; Y561-Y633 HydrophobicContact CE2-CE2 3.77Å; Y561-Y633 AromaticContact CE2-CZ 3.51Å; Y561-Y633 WeakPolarHBondContact CE2-OH 3.36Å; T629-Y633 HydrophobicContact CG2-CD2 4.33Å; T629-Y633 PolarHBondContact O-N 2.83Å; E630-Y633 CarbonylContact O-C 3.55Å; Y633-G635 PolarHBondContact O-N 3.16Å; Y633-G635 VanDerWaalsContact O-N 3.15Å; Y633-Y636 WeakPolarHBondContact O-CB 3.22Å; Y633-Y636 PolarHBondContact O-N 3.07Å
634	P	87.4	Confident	80.3	Confident	118 Å²	118	78.4 Å²	78.4	77%	0.766	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	122.5	178.7	-26.3	34.8	0	0	0	112.2	L632	L632-P634 VanDerWaalsContact C-CD 3.5Å; L632-P634 WeakPolarHBondContact O-CD 3.33Å
635	G	86.5	Confident	77.1	Confident	60 Å²	60	84.1 Å²	84.1	62%	0.619	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.3	-6.8	-177.9	0	0	0	0	0	114.9	Y633	Y633-G635 PolarHBondContact O-N 3.16Å; Y633-G635 VanDerWaalsContact O-N 3.15Å
636	Y	88.1	Confident	74.1	Confident	139 Å²	139	89.4 Å²	89.4	55%	0.545	48%	0.48	S	S	.	.			trans	-95.6	131.9	168.8	-176.4	-103.2	0	0	0	110.5	T629 Y633 P638	T629-Y636 HydrophobicContact CG2-CD1 3.75Å; T629-Y636 HydrophobicContact CG2-CE1 3.85Å; Y633-Y636 WeakPolarHBondContact O-CB 3.22Å; Y633-Y636 PolarHBondContact O-N 3.07Å; Y636-P638 HydrophobicContact CE1-CB 3.85Å; Y636-P638 HydrophobicContact CE1-CG 4.31Å
637	Y	86.1	Confident	71	Confident	172 Å²	172	96.9 Å²	96.9	68%	0.675	51%	0.513	S	S	*	.			trans	-125	93.2	-177.5	-60.9	-81.5	0	0	0	109.8	K639	Y637-K639 PolarHBondContact O-N 3.16Å
638	P	83.5	Confident	67.8	Low	29 Å²	29	100.3 Å²	100.3	19%	0.188	53%	0.533	C	S	.	.			trans	-66.1	133.3	-177.5	25.4	-30.7	0	0	0	111.1	A626 T629 E630 Y636	A626-P638 HydrophobicContact CB-CB 4.48Å; A626-P638 HydrophobicContact CB-CG 3.72Å; T629-P638 HydrophobicContact CG2-CG 4.24Å; E630-P638 VanDerWaalsContact CG-CD 3.49Å; E630-P638 HydrophobicContact CG-CG 4.16Å; Y636-P638 HydrophobicContact CE1-CB 3.85Å; Y636-P638 HydrophobicContact CE1-CG 4.31Å
639	K	77.7	Confident	64.5	Low	209 Å²	209	108.5 Å²	108.5	91%	0.909	58%	0.576	S	S	*	*			trans	-100.7	110.4	169.4	-68.6	-174.7	-178.4	179.1	0	109.2	Y637	Y637-K639 PolarHBondContact O-N 3.16Å
640	V	69.1	Low	61.3	Low	34 Å²	34	119.2 Å²	119.2	21%	0.206	62%	0.624	C	S	.	*			trans	-87.5	113.2	167.9	-173.8	0	0	0	0	107.6	L618 L621 K622 A626 T642	L618-V640 HydrophobicContact CB-CG1 4.2Å; L618-V640 HydrophobicContact CD2-CG1 3.85Å; L618-V640 WeakPolarHBondContact O-CG1 3.48Å; L621-V640 HydrophobicContact CB-CG1 4.25Å; L621-V640 HydrophobicContact CB-CG2 4.29Å; K622-V640 HydrophobicContact CB-CB 4.03Å; K622-V640 HydrophobicContact CB-CG1 4.22Å; K622-V640 HydrophobicContact CB-CG2 4.21Å; A626-V640 HydrophobicContact CB-CG2 4.44Å; V640-T642 PolarHBondContact O-N 3.09Å
641	G	54.7	Low	59.8	Low	51 Å²	51	121 Å²	121	53%	0.526	64%	0.635	S	S	.	*			trans	-57.6	129	-174.2	0	0	0	0	0	112.5
642	T	43.8	Very low	58.1	Low	105 Å²	105	122.9 Å²	122.9	64%	0.644	65%	0.649	S	S	*	*			trans	-117.1	60.1	175.1	55	0	0	0	0	111	K622 V640	K622-T642 HydrophobicContact CD-CG2 4.41Å; V640-T642 PolarHBondContact O-N 3.09Å
643	Q	34.9	Very low	56.3	Low	165 Å²	165	128 Å²	128	77%	0.771	68%	0.676	S	S	*	*	S	Bend	trans	177.4	154.8	155.6	-106.6	173.6	-18.9	0	0	109.9	D645	Q643-D645 VanDerWaalsContact C-N 3.25Å; Q643-D645 PolarHBondContact O-N 2.93Å
644	P	42	Very low	54.2	Low	130 Å²	130	130.6 Å²	130.6	84%	0.844	70%	0.697	S	S	*	*			trans	-80	77.3	176.9	34.5	-29.2	0	0	0	108.6
645	D	28.7	Very low	52.2	Low	139 Å²	139	131.4 Å²	131.4	74%	0.743	69%	0.692	S	S	*	*			trans	-117.6	130	163.2	-85.4	-36.4	0	0	0	108.9	Q643	Q643-D645 VanDerWaalsContact C-N 3.25Å; Q643-D645 PolarHBondContact O-N 2.93Å
646	L	32.9	Very low	49.9	Very low	150 Å²	150	136.1 Å²	136.1	79%	0.785	70%	0.697	S	S	*	*			trans	-40.4	143.7	171.9	-82.7	119	0	0	0	113.7
647	E	28.8	Very low	47.2	Very low	168 Å²	168	135.9 Å²	135.9	79%	0.785	71%	0.708	S	S	*	*			trans	76.5	138.6	144.5	-72.4	-175.7	159	0	0	120.4
648	V	27.2	Very low	44.2	Very low	118 Å²	118	133.2 Å²	133.2	72%	0.715	71%	0.711	S	S	*	*			trans	85.5	99.5	156.5	-157.7	0	0	0	0	116.1
649	L	23.7	Very low	40.9	Very low	172 Å²	172	141.8 Å²	141.8	90%	0.901	75%	0.754	S	S	*	*				-151.6	128.6	98.2	-93.9	159.3	0	0	0	110
650	Q	27.1	Very low	37.5	Very low	261 Å²	261	135.7 Å²	135.7	100%	1.22	74%	0.74	S	S	*	*			trans	-62.3	0	174	-73.6	177	-37.3	0	0	112.6

Retrieved 650 of 650 residues in 3327.9 ms (Link to these results)

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