A0A087XK05_POEFO Loading...

Copine-2

Calcium-dependent phospholipid-binding protein that plays a role in calcium-mediated intracellular processes. Exhibits calcium-dependent cell membrane binding properties.

AlphaFold DB , UniProt , Accession A0A087XK05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 547 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	28.3	Very low	27.3	Very low	214 Å²	214	134.1 Å²	134.1	100%	1.054	85%	0.851	S	S	*	*				0	113.1	0	-77.9	-162.3	-98	0	0	106.6
2	A	21.6	Very low	27.4	Very low	102 Å²	102	141.5 Å²	141.5	84%	0.843	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-77.2	130.2	179.3	0	0	0	0	0	108.7
3	Y	22.8	Very low	27.5	Very low	210 Å²	210	141.6 Å²	141.6	82%	0.824	85%	0.852	S	S	*	*	P	Polyproline II helix	trans	-101	119	172.5	-69.6	-78.2	0	0	0	108.8
4	T	23.1	Very low	27.6	Very low	140 Å²	140	146 Å²	146	86%	0.859	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-77.2	128.2	177.9	-27.5	0	0	0	0	109.2
5	L	27.6	Very low	27.5	Very low	166 Å²	166	144.2 Å²	144.2	87%	0.869	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-73.1	127.7	169.6	-72.8	159.6	0	0	0	109.1
6	G	24.1	Very low	27.6	Very low	80 Å²	80	141.2 Å²	141.2	83%	0.825	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-72	134	176.7	0	0	0	0	0	111.8
7	V	24.7	Very low	27.7	Very low	139 Å²	139	135.7 Å²	135.7	84%	0.842	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-84.7	123.7	-179.8	179.9	0	0	0	0	109.6
8	A	30.1	Very low	28	Very low	82 Å²	82	135.4 Å²	135.4	68%	0.678	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-84.2	152.3	165.1	0	0	0	0	0	110.5	D10	A8-D10 VanDerWaalsContact C-N 3.26Å; A8-D10 PolarHBondContact O-N 2.76Å
9	A	32.4	Very low	28.6	Very low	107 Å²	107	136.4 Å²	136.4	88%	0.884	81%	0.807	S	S	*	*	S	Bend	trans	-73.2	6	-160.7	0	0	0	0	0	117.4
10	D	35.8	Very low	29.3	Very low	149 Å²	149	137.6 Å²	137.6	80%	0.797	80%	0.803	S	S	*	*	S	Bend	trans	-122.7	111.1	170.1	-85.1	-32.9	0	0	0	108.4	A8 R12	A8-D10 VanDerWaalsContact C-N 3.26Å; A8-D10 PolarHBondContact O-N 2.76Å; D10-R12 PolarHBondContact O-N 3.22Å
11	G	30.3	Very low	30.2	Very low	86 Å²	86	134 Å²	134	89%	0.887	79%	0.785	S	S	*	*			trans	-65.9	48.6	-169.4	0	0	0	0	0	116.9
12	R	28.3	Very low	31.7	Very low	223 Å²	223	127 Å²	127	84%	0.842	75%	0.754	S	S	*	*			trans	-116.7	100.7	167.8	-66.7	-177	-177.6	-175.8	0.5	108.7	D10 R14	D10-R12 PolarHBondContact O-N 3.22Å; R12-R14 PolarHBondContact O-N 2.85Å; R12-R14 VanDerWaalsContact O-N 3.09Å
13	T	28.4	Very low	34.5	Very low	143 Å²	143	123.6 Å²	123.6	88%	0.877	72%	0.723	S	S	*	*			trans	-70.1	99.1	162.4	44.7	0	0	0	0	107.9	S15	T13-S15 PolarHBondContact O-N 3.33Å
14	R	29.4	Very low	37.7	Very low	203 Å²	203	119.1 Å²	119.1	77%	0.766	71%	0.705	S	S	*	*			trans	-61.1	117.3	156.1	-80.5	-175.6	170.3	173.1	-2.4	106.4	R12 V16	R12-R14 PolarHBondContact O-N 2.85Å; R12-R14 VanDerWaalsContact O-N 3.09Å; R14-V16 HydrophobicContact CB-CG2 4.28Å; R14-V16 PolarHBondContact O-N 2.73Å
15	S	25.2	Very low	41	Very low	119 Å²	119	112.5 Å²	112.5	83%	0.832	66%	0.664	S	S	*	*			trans	-72.6	81	164.5	55.7	0	0	0	0	107.2	T13 G17	T13-S15 PolarHBondContact O-N 3.33Å; S15-G17 VanDerWaalsContact C-N 3.31Å; S15-G17 PolarHBondContact O-N 3.15Å
16	V	29.1	Very low	44.2	Very low	96 Å²	96	106.7 Å²	106.7	58%	0.582	63%	0.632	S	S	*	*			trans	-63.2	105.5	159.8	-170.4	0	0	0	0	103.9	R14 Q19	R14-V16 HydrophobicContact CB-CG2 4.28Å; R14-V16 PolarHBondContact O-N 2.73Å; V16-Q19 HydrophobicContact CG1-CB 3.92Å; V16-Q19 HydrophobicContact CG1-CG 4.28Å
17	G	29.6	Very low	47.7	Very low	48 Å²	48	102.9 Å²	102.9	50%	0.495	59%	0.593	S	S	.	*			trans	-51	163.7	166.6	0	0	0	0	0	109.5	S15 Q19	S15-G17 VanDerWaalsContact C-N 3.31Å; S15-G17 PolarHBondContact O-N 3.15Å; G17-Q19 PolarHBondContact O-N 2.79Å
18	P	32.4	Very low	51.1	Low	131 Å²	131	97.8 Å²	97.8	85%	0.851	56%	0.563	S	S	*	*			trans	-52.6	104	-174.1	21.4	-30.9	0	0	0	110.6	H20	P18-H20 VanDerWaalsContact C-N 3.26Å; P18-H20 PolarHBondContact O-N 2.87Å
19	Q	39.4	Very low	54.3	Low	154 Å²	154	93.9 Å²	93.9	72%	0.72	53%	0.531	S	S	*	.			trans	-77.4	78.9	-176.2	-164.4	179.9	17.6	0	0	107.5	V16 G17	V16-Q19 HydrophobicContact CG1-CB 3.92Å; V16-Q19 HydrophobicContact CG1-CG 4.28Å; G17-Q19 PolarHBondContact O-N 2.79Å
20	H	42.5	Very low	57.5	Low	160 Å²	160	90.6 Å²	90.6	74%	0.741	50%	0.5	S	S	*	.			trans	-146.7	75.9	175.7	-75.7	-64.7	0	0	0	110.5	P18	P18-H20 VanDerWaalsContact C-N 3.26Å; P18-H20 PolarHBondContact O-N 2.87Å
21	C	49.5	Very low	60.4	Low	62 Å²	62	83.6 Å²	83.6	42%	0.419	46%	0.463	S	S	.	.			trans	-89.6	26.6	155.5	-81.5	0	0	0	0	111.4	T23 Y82	C21-T23 VanDerWaalsContact C-N 3.31Å; C21-T23 PolarHBondContact O-N 2.68Å; C21-Y82 VanDerWaalsContact O-O 3.06Å
22	V	58.9	Low	63.6	Low	68 Å²	68	81.1 Å²	81.1	41%	0.412	43%	0.432	S	S	.	.			trans	-81.8	88.9	170.1	-167.6	0	0	0	0	107.8	D81 H83	V22-D81 HydrophobicContact CG1-CB 3.84Å; V22-H83 WeakPolarHBondContact CG2-NE2 2.85Å
23	T	80.3	Confident	66.8	Low	30 Å²	30	74.7 Å²	74.7	18%	0.184	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	146.9	168.9	-68	0	0	0	0	108.4	C21 Y82 E149 L296	C21-T23 VanDerWaalsContact C-N 3.31Å; C21-T23 PolarHBondContact O-N 2.68Å; T23-Y82 WeakPolarHBondContact O-CB 3.31Å; T23-Y82 PolarHBondContact O-N 2.81Å; T23-E149 HydrophobicContact CG2-CB 4.46Å; T23-E149 VanDerWaalsContact CG2-CD 3.47Å; T23-E149 HydrophobicContact CG2-CG 3.36Å; T23-E149 WeakPolarHBondContact CG2-OE1 3.38Å; T23-L296 HydrophobicContact CG2-CD2 3.74Å
24	R	89.6	Confident	70	Confident	116 Å²	116	68.2 Å²	68.2	44%	0.438	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	134.6	173.9	-156.7	170.1	-141.1	-164.8	-4	110.6	Q79 D81 L150	R24-Q79 HydrophobicContact CG-CB 4.37Å; R24-D81 IonicContact CZ-OD1 3.31Å; R24-D81 IonicContact NE-OD1 3.84Å; R24-D81 PolarHBondContact NE-OD1 2.8Å; R24-D81 VanDerWaalsContact NE-OD1 3.12Å; R24-L150 HydrophobicContact CB-CB 4.27Å; R24-L150 HydrophobicContact CG-CD1 4.29Å; R24-L150 WeakPolarHBondContact O-CB 2.81Å; R24-L150 PolarHBondContact O-N 2.61Å
25	V	93.1	Very high	73	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	131.1	180	-177.8	0	0	0	0	109.5	L27 Q79 V80 Y82 V121 A147 Q148 L296	V25-L27 HydrophobicContact CG1-CD2 3.73Å; V25-L27 HydrophobicContact CG1-CG 4.45Å; V25-Q79 WeakPolarHBondContact O-CA 3.47Å; V25-V80 PolarHBondContact N-O 3.45Å; V25-V80 PolarHBondContact O-N 2.7Å; V25-Y82 HydrophobicContact CG2-CG 4.36Å; V25-V121 HydrophobicContact CG1-CG1 4.23Å; V25-V121 HydrophobicContact CG2-CG1 4.34Å; V25-A147 HydrophobicContact CG1-CB 3.89Å; V25-Q148 CarbonylContact C-O 3.53Å; V25-Q148 WeakPolarHBondContact CA-O 3.37Å; V25-L296 HydrophobicContact CG2-CD2 3.54Å
26	E	95	Very high	76	Confident	45 Å²	45	58.8 Å²	58.8	21%	0.21	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	129.9	169.2	-170.4	172.1	90.7	0	0	110.5	K77 F78 A147 Q148 L150	E26-K77 HydrophobicContact CG-CB 3.46Å; E26-K77 VanDerWaalsContact CG-CB 3.46Å; E26-K77 HydrophobicContact CG-CG 4.05Å; E26-F78 CarbonylContact C-O 3.48Å; E26-F78 WeakPolarHBondContact CA-O 3.35Å; E26-A147 WeakPolarHBondContact O-CA 3.29Å; E26-Q148 PolarHBondContact N-O 3.29Å; E26-Q148 PolarHBondContact O-N 3.24Å; E26-L150 HydrophobicContact CB-CD1 3.89Å; E26-L150 HydrophobicContact CB-CD2 3.82Å; E26-L150 HydrophobicContact CB-CG 3.75Å
27	L	96.9	Very high	78.4	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.2	179.5	-54.9	179.2	0	0	0	110	V25 L49 F78 V80 L90 F92 L117 I120 I145 T146 A147	V25-L27 HydrophobicContact CG1-CD2 3.73Å; V25-L27 HydrophobicContact CG1-CG 4.45Å; L27-L49 HydrophobicContact CD1-CD2 4.47Å; L27-F78 HydrophobicContact CB-CB 4.29Å; L27-F78 PolarHBondContact N-O 2.88Å; L27-F78 PolarHBondContact O-N 3.1Å; L27-V80 HydrophobicContact CD1-CG2 3.88Å; L27-L90 HydrophobicContact CD1-CD1 3.9Å; L27-F92 HydrophobicContact CD1-CZ 4.13Å; L27-L117 HydrophobicContact CD1-CD1 4.29Å; L27-L117 HydrophobicContact CD2-CD1 4.2Å; L27-I120 HydrophobicContact CD1-CD1 4.37Å; L27-I120 HydrophobicContact CD2-CG2 4Å; L27-I145 HydrophobicContact CB-CG2 4.47Å; L27-I145 HydrophobicContact CD2-CG2 4.41Å; L27-T146 WeakPolarHBondContact CA-O 3.28Å; L27-A147 HydrophobicContact CD2-CB 3.81Å
28	S	97.2	Very high	80.5	Confident	31 Å²	31	59.5 Å²	59.5	22%	0.217	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	134	168.6	-74.1	0	0	0	0	110.5	K77 I145 T146	S28-K77 WeakPolarHBondContact OG-CD 3.48Å; S28-K77 WeakPolarHBondContact OG-CE 3.39Å; S28-K77 PolarHBondContact OG-NZ 2.68Å; S28-I145 CarbonylContact O-C 3.16Å; S28-I145 VanDerWaalsContact O-CA 3.32Å; S28-I145 WeakPolarHBondContact O-CA 3.28Å; S28-T146 PolarHBondContact N-O 3.02Å; S28-T146 PolarHBondContact O-N 3.31Å
29	V	98.1	Very high	82.3	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	135.4	179.1	-174.5	0	0	0	0	110.5	C47 F74 F78 F92 M94 V143 T144	V29-C47 HydrophobicContact CG1-CB 4.49Å; V29-F74 HydrophobicContact CB-CD2 4.26Å; V29-F74 HydrophobicContact CG1-CD2 4.19Å; V29-F74 HydrophobicContact CG1-CE2 4.49Å; V29-F74 WeakPolarHBondContact O-CD2 3.49Å; V29-F74 PolarHBondContact O-N 3.24Å; V29-F78 HydrophobicContact CG2-CD2 4Å; V29-F78 HydrophobicContact CG2-CE2 3.9Å; V29-F92 HydrophobicContact CG2-CD1 3.87Å; V29-F92 HydrophobicContact CG2-CE1 3.77Å; V29-M94 HydrophobicContact CG1-CE 3.73Å; V29-V143 HydrophobicContact CG1-CG2 3.65Å; V29-T144 WeakPolarHBondContact CA-O 3.5Å
30	T	98.1	Very high	83.8	Confident	39 Å²	39	58.2 Å²	58.2	24%	0.239	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.1	165.1	73.5	0	0	0	0	109	P72 V73 V143 T144	T30-P72 WeakPolarHBondContact CA-O 3.37Å; T30-P72 WeakPolarHBondContact CB-O 3.29Å; T30-V73 HydrophobicContact CG2-CB 4.28Å; T30-V73 HydrophobicContact CG2-CG1 3.97Å; T30-V73 HydrophobicContact CG2-CG2 4.17Å; T30-V143 CarbonylContact O-C 3.44Å; T30-V143 WeakPolarHBondContact O-CA 3.32Å; T30-T144 PolarHBondContact N-O 2.81Å; T30-T144 PolarHBondContact O-N 2.82Å; T30-T144 WeakPolarHBondContact OG1-CB 3.3Å
31	A	97.8	Very high	85.5	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	162.9	173.7	0	0	0	0	0	111.5	L34 N71 P72 M94 S142	A31-L34 HydrophobicContact CB-CD1 3.87Å; A31-L34 HydrophobicContact CB-CD2 3.9Å; A31-L34 HydrophobicContact CB-CG 3.97Å; A31-N71 CarbonylContact O-C 3.33Å; A31-N71 VanDerWaalsContact O-CA 3.26Å; A31-N71 WeakPolarHBondContact O-CA 3.09Å; A31-P72 HydrophobicContact CB-CG 3.81Å; A31-P72 PolarHBondContact N-O 3.15Å; A31-M94 HydrophobicContact CB-CE 4.03Å; A31-M94 HydrophobicContact CB-SD 4.37Å; A31-S142 CarbonylContact C-O 3.39Å; A31-S142 VanDerWaalsContact CA-O 3.22Å; A31-S142 WeakPolarHBondContact CA-O 3.46Å; A31-S142 WeakPolarHBondContact CB-O 3.35Å
32	S	96.9	Very high	87.2	Confident	34 Å²	34	54.8 Å²	54.8	24%	0.238	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	142	-179.5	-59.5	0	0	0	0	111.6	L34 L70 N71 G141 S142	S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.26Å; S32-L70 CarbonylContact C-O 3.56Å; S32-N71 VanDerWaalsContact CA-OD1 3.32Å; S32-N71 WeakPolarHBondContact CA-OD1 3.29Å; S32-G141 CarbonylContact O-C 3.53Å; S32-G141 WeakPolarHBondContact O-CA 3.26Å; S32-S142 PolarHBondContact N-O 3.09Å; S32-S142 PolarHBondContact O-N 2.97Å; S32-S142 PolarHBondContact O-OG 3.01Å
33	N	95.8	Very high	88.6	Confident	89 Å²	89	51.6 Å²	51.6	48%	0.476	28%	0.283	S	S	.	.	S	Bend	trans	52.8	41.9	179.7	-50.1	-64.4	0	0	0	113.5	L70 N71 K140 G141	N33-L70 PolarHBondContact N-O 3.15Å; N33-N71 PolarHBondContact N-OD1 3.45Å; N33-K140 HydrophobicContact CB-CB 3.94Å; N33-K140 CarbonylContact O-C 3.52Å; N33-G141 WeakPolarHBondContact O-CA 3.45Å; N33-G141 PolarHBondContact O-N 2.78Å; N33-G141 VanDerWaalsContact O-N 3.13Å
34	L	96	Very high	89.2	Confident	7 Å²	7	51.9 Å²	51.9	4%	0.037	28%	0.284	C	S	.	.			trans	-58.6	155.5	175.8	-66.1	179.4	0	0	0	111.5	A31 S32 P45 L70 P72 M94 L110 L130	A31-L34 HydrophobicContact CB-CD1 3.87Å; A31-L34 HydrophobicContact CB-CD2 3.9Å; A31-L34 HydrophobicContact CB-CG 3.97Å; S32-L34 VanDerWaalsContact C-N 3.28Å; S32-L34 PolarHBondContact O-N 3.26Å; L34-P45 HydrophobicContact CD1-CB 3.55Å; L34-P45 HydrophobicContact CD1-CG 3.73Å; L34-L70 HydrophobicContact CB-CB 4.47Å; L34-L70 HydrophobicContact CB-CD2 4.42Å; L34-L70 PolarHBondContact N-O 3.05Å; L34-P72 HydrophobicContact CD1-CG 3.93Å; L34-M94 HydrophobicContact CD2-CG 4.38Å; L34-L110 HydrophobicContact CD1-CD1 4.27Å; L34-L130 HydrophobicContact CD2-CD1 3.42Å; L34-L130 VanDerWaalsContact CD2-CD1 3.42Å
35	L	90.9	Very high	89.5	Confident	42 Å²	42	46.3 Å²	46.3	22%	0.22	26%	0.263	C	S	.	.			trans	-62.1	140	174.6	-68.8	174.7	0	0	0	109.5	S43 L110 L132 A138	L35-S43 PolarHBondContact O-OG 3.39Å; L35-L110 HydrophobicContact CB-CD2 4.13Å; L35-L132 HydrophobicContact CD1-CD2 3.92Å; L35-A138 HydrophobicContact CD1-CB 4.3Å
36	D	88.1	Confident	89.6	Confident	82 Å²	82	46.8 Å²	46.8	44%	0.439	27%	0.265	S	S	.	.			trans	-94.9	114.2	173.3	-157.9	-3.5	0	0	0	108.1	K42 S43 L70	D36-K42 WeakPolarHBondContact OD1-CA 3.14Å; D36-S43 PolarHBondContact OD1-N 2.86Å; D36-L70 HydrophobicContact CB-CD1 4.2Å; D36-L70 HydrophobicContact CB-CD2 4.34Å
37	R	81.3	Confident	89.8	Confident	116 Å²	116	44.6 Å²	44.6	44%	0.438	26%	0.255	S	S	.	.			trans	-102.9	-15.3	-179.5	-64.5	-64.2	-171.3	154.3	6.4	113.1	S43 D96 D108 L110	R37-S43 PolarHBondContact N-OG 3.31Å; R37-S43 VanDerWaalsContact N-OG 3.07Å; R37-D96 WeakPolarHBondContact CB-OD2 3.48Å; R37-D108 HydrophobicContact CB-CB 4.48Å; R37-D108 HydrophobicContact CG-CB 4.29Å; R37-L110 HydrophobicContact CG-CD2 3.63Å
38	D	73.7	Confident	89.8	Confident	43 Å²	43	44.6 Å²	44.6	23%	0.23	26%	0.255	C	S	.	.			trans	-80.4	142.3	179.6	-84.4	-17.1	0	0	0	112.8	S41	D38-S41 WeakPolarHBondContact CB-O 3.42Å; D38-S41 WeakPolarHBondContact CB-OG 3.4Å; D38-S41 VanDerWaalsContact CG-OG 3.22Å; D38-S41 WeakPolarHBondContact OD2-CB 3.36Å; D38-S41 PolarHBondContact OD2-OG 3.08Å
39	V	69.3	Low	89.9	Confident	153 Å²	153	43.1 Å²	43.1	93%	0.927	24%	0.244	S	C	*	.	S	Bend	trans	-83	-27	-178.7	-179.4	0	0	0	0	112
40	A	70.1	Confident	89.9	Confident	105 Å²	105	44 Å²	44	87%	0.868	25%	0.248	S	C	*	.	S	Bend	trans	-129.3	-8.6	-172.6	0	0	0	0	0	114.5
41	S	79.6	Confident	89.8	Confident	48 Å²	48	44.1 Å²	44.1	34%	0.336	25%	0.246	S	C	.	.	S	Bend	trans	-131.1	178.7	-179.8	34.7	0	0	0	0	109.4	D38 N68	D38-S41 WeakPolarHBondContact CB-O 3.42Å; D38-S41 WeakPolarHBondContact CB-OG 3.4Å; D38-S41 VanDerWaalsContact CG-OG 3.22Å; D38-S41 WeakPolarHBondContact OD2-CB 3.36Å; D38-S41 PolarHBondContact OD2-OG 3.08Å; S41-N68 WeakPolarHBondContact CB-OD1 3.19Å
42	K	83.5	Confident	89.7	Confident	102 Å²	102	46.7 Å²	46.7	44%	0.443	26%	0.258	S	S	.	.			trans	-90.2	151.7	161.6	-69.1	172.2	-179.9	175	0	108.1	D36 N68 L70	D36-K42 WeakPolarHBondContact OD1-CA 3.14Å; K42-N68 HydrophobicContact CB-CB 4.34Å; K42-N68 WeakPolarHBondContact CD-O 3.33Å; K42-N68 PolarHBondContact N-OD1 3.25Å; K42-N68 WeakPolarHBondContact O-CA 3.44Å; K42-N68 PolarHBondContact O-OD1 3.07Å; K42-L70 HydrophobicContact CB-CD2 4.33Å; K42-L70 HydrophobicContact CB-CG 4.29Å; K42-L70 HydrophobicContact CD-CG 4.3Å; K42-L70 HydrophobicContact CG-CD1 4.47Å; K42-L70 HydrophobicContact CG-CG 4.31Å
43	S	88.8	Confident	89.4	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.264	C	S	.	.			trans	-45.7	147.5	168.4	-66	0	0	0	0	114	L35 D36 R37 P45 N68 N69 D96	L35-S43 PolarHBondContact O-OG 3.39Å; D36-S43 PolarHBondContact OD1-N 2.86Å; R37-S43 PolarHBondContact N-OG 3.31Å; R37-S43 VanDerWaalsContact N-OG 3.07Å; S43-P45 WeakPolarHBondContact O-CD 3.34Å; S43-N68 CarbonylContact O-C 3.58Å; S43-N68 WeakPolarHBondContact O-CA 3.37Å; S43-N69 PolarHBondContact O-N 3.28Å; S43-D96 WeakPolarHBondContact CA-OD1 3.27Å; S43-D96 WeakPolarHBondContact CA-OD2 3.44Å; S43-D96 VanDerWaalsContact CB-CG 3.41Å; S43-D96 WeakPolarHBondContact CB-OD1 3.29Å; S43-D96 WeakPolarHBondContact CB-OD2 2.99Å; S43-D96 PolarHBondContact OG-OD2 2.88Å
44	D	92.7	Very high	89	Confident	36 Å²	36	51.1 Å²	51.1	19%	0.193	28%	0.281	C	S	.	.			trans	-104.6	73.7	174.9	-67.1	-27.7	0	0	0	109.4	T65 A66 V67 N68 D96 E97	D44-T65 HydrophobicContact CB-CG2 3.81Å; D44-T65 WeakPolarHBondContact O-CG2 3.2Å; D44-A66 WeakPolarHBondContact CA-O 3.46Å; D44-V67 VanDerWaalsContact OD1-CA 3.24Å; D44-V67 WeakPolarHBondContact OD1-CA 3.41Å; D44-N68 PolarHBondContact OD1-N 3.08Å; D44-N68 PolarHBondContact OD1-ND2 3.42Å; D44-N68 VanDerWaalsContact OD1-ND2 3.14Å; D44-D96 WeakPolarHBondContact CA-OD1 3.35Å; D44-D96 PolarHBondContact N-OD1 3.33Å; D44-E97 HydrophobicContact CB-CB 4.4Å; D44-E97 PolarHBondContact O-N 3.22Å
45	P	95.8	Very high	88.6	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	147.3	-170.1	28.4	-38.7	0	0	0	114.9	L34 S43 A66 N69 P72 F74 F95 L110	L34-P45 HydrophobicContact CD1-CB 3.55Å; L34-P45 HydrophobicContact CD1-CG 3.73Å; S43-P45 WeakPolarHBondContact O-CD 3.34Å; P45-A66 WeakPolarHBondContact CD-O 3.49Å; P45-A66 HydrophobicContact CG-CB 4.34Å; P45-A66 PolarHBondContact O-N 2.86Å; P45-N69 WeakPolarHBondContact CD-O 3.27Å; P45-N69 WeakPolarHBondContact CG-O 3.38Å; P45-P72 HydrophobicContact CB-CG 4.44Å; P45-P72 HydrophobicContact CG-CB 4.2Å; P45-P72 HydrophobicContact CG-CG 3.84Å; P45-F74 WeakPolarHBondContact O-CE1 3.25Å; P45-F95 CarbonylContact C-O 3.59Å; P45-F95 WeakPolarHBondContact CA-O 3.49Å; P45-L110 HydrophobicContact CB-CD1 3.86Å
46	F	97	Very high	88.7	Confident	9 Å²	9	56.6 Å²	56.6	4%	0.039	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	157	162.2	66.9	-82.4	0	0	0	111	V48 F95 E97 L104 H107	F46-V48 HydrophobicContact CD2-CG2 3.89Å; F46-V48 HydrophobicContact CE2-CG2 3.53Å; F46-F95 HydrophobicContact CD1-CB 4.21Å; F46-F95 HydrophobicContact CE1-CB 3.57Å; F46-F95 HydrophobicContact CE2-CB 4.03Å; F46-F95 HydrophobicContact CE2-CD2 4.22Å; F46-F95 HydrophobicContact CE2-CG 4.42Å; F46-F95 HydrophobicContact CZ-CB 3.47Å; F46-F95 VanDerWaalsContact CZ-CB 3.47Å; F46-F95 HydrophobicContact CZ-CD2 4.36Å; F46-F95 HydrophobicContact CZ-CG 4.1Å; F46-F95 PolarHBondContact N-O 3.37Å; F46-F95 PolarHBondContact O-N 2.83Å; F46-E97 HydrophobicContact CD1-CB 4.02Å; F46-E97 HydrophobicContact CE1-CB 4.02Å; F46-E97 HydrophobicContact CE1-CG 4.49Å; F46-L104 HydrophobicContact CE2-CD2 3.94Å; F46-L104 HydrophobicContact CZ-CD2 4.11Å; F46-H107 HydrophobicContact CE1-CB 4.34Å; F46-H107 AromaticContact CE1-CD2 3.99Å; F46-H107 AromaticContact CE1-CG 4Å; F46-H107 HydrophobicContact CZ-CB 4.31Å; F46-H107 AromaticContact CZ-CD2 3.54Å; F46-H107 AromaticContact CZ-CG 3.94Å
47	C	98.1	Very high	89.1	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	136.4	178.3	-175.1	0	0	0	0	111.1	V29 R62 T63 F74 A93 M94	V29-C47 HydrophobicContact CG1-CB 4.49Å; C47-R62 CarbonylContact O-C 3.59Å; C47-R62 VanDerWaalsContact O-CA 3.29Å; C47-R62 WeakPolarHBondContact O-CA 3.37Å; C47-T63 HydrophobicContact CB-CG2 3.85Å; C47-T63 PolarHBondContact N-OG1 2.81Å; C47-T63 PolarHBondContact O-N 3.22Å; C47-F74 HydrophobicContact CB-CD2 4.37Å; C47-F74 HydrophobicContact CB-CE2 3.97Å; C47-F74 HydrophobicContact CB-CZ 4.34Å; C47-A93 CarbonylContact C-O 3.57Å; C47-A93 WeakPolarHBondContact CA-O 3.34Å; C47-M94 HydrophobicContact CB-CE 3.75Å; C47-M94 HydrophobicContact CB-SD 3.59Å; C47-M94 VanDerWaalsContact CB-SD 3.59Å; C47-M94 VanDerWaalsContact SG-CE 3.57Å
48	V	98	Very high	89.8	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.3	171.4	-171	0	0	0	0	108.8	F46 F50 E59 R62 A93 F95 L104	F46-V48 HydrophobicContact CD2-CG2 3.89Å; F46-V48 HydrophobicContact CE2-CG2 3.53Å; V48-F50 HydrophobicContact CB-CD2 4.48Å; V48-F50 HydrophobicContact CB-CE2 3.76Å; V48-F50 HydrophobicContact CB-CZ 4.2Å; V48-F50 HydrophobicContact CG1-CD2 4.04Å; V48-F50 HydrophobicContact CG1-CE1 4.15Å; V48-F50 HydrophobicContact CG1-CE2 3.39Å; V48-F50 HydrophobicContact CG1-CZ 3.46Å; V48-F50 VanDerWaalsContact CG1-CZ 3.46Å; V48-E59 HydrophobicContact CG1-CG 3.67Å; V48-R62 HydrophobicContact CG1-CG 4.24Å; V48-R62 HydrophobicContact CG2-CG 4.05Å; V48-A93 PolarHBondContact N-O 2.73Å; V48-A93 PolarHBondContact O-N 3.28Å; V48-F95 HydrophobicContact CB-CD2 4.49Å; V48-F95 HydrophobicContact CB-CE2 4.19Å; V48-F95 HydrophobicContact CG2-CD2 3.73Å; V48-F95 HydrophobicContact CG2-CE2 3.77Å; V48-L104 HydrophobicContact CG1-CD1 4.36Å; V48-L104 HydrophobicContact CG2-CD1 4.47Å; V48-L104 HydrophobicContact CG2-CD2 3.77Å
49	L	98.4	Very high	90.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	127.4	173	-179	63.4	0	0	0	109.7	L27 L60 G61 F78 V80 L90 F92	L27-L49 HydrophobicContact CD1-CD2 4.47Å; L49-L60 HydrophobicContact CD2-CB 4.37Å; L49-L60 HydrophobicContact CD2-CD1 3.91Å; L49-L60 HydrophobicContact CG-CB 4.34Å; L49-L60 HydrophobicContact CG-CD1 4.17Å; L49-L60 PolarHBondContact O-N 2.97Å; L49-G61 PolarHBondContact N-O 3.21Å; L49-F78 HydrophobicContact CB-CD1 3.93Å; L49-F78 HydrophobicContact CB-CD2 3.98Å; L49-F78 HydrophobicContact CB-CE1 3.87Å; L49-F78 HydrophobicContact CB-CE2 3.9Å; L49-F78 HydrophobicContact CB-CG 3.98Å; L49-F78 HydrophobicContact CB-CZ 3.84Å; L49-F78 HydrophobicContact CD2-CB 3.47Å; L49-F78 VanDerWaalsContact CD2-CB 3.47Å; L49-F78 HydrophobicContact CD2-CD1 4.07Å; L49-F78 HydrophobicContact CD2-CD2 3.9Å; L49-F78 HydrophobicContact CD2-CG 3.55Å; L49-F78 HydrophobicContact CG-CD2 4.5Å; L49-F78 HydrophobicContact CG-CG 4.4Å; L49-V80 HydrophobicContact CD2-CG2 4.03Å; L49-L90 HydrophobicContact CD1-CB 4.08Å; L49-L90 HydrophobicContact CD1-CD2 4.27Å; L49-F92 HydrophobicContact CD1-CD1 3.93Å; L49-F92 HydrophobicContact CD1-CD2 4.28Å; L49-F92 HydrophobicContact CD1-CE1 3.67Å; L49-F92 HydrophobicContact CD1-CE2 4.02Å; L49-F92 HydrophobicContact CD1-CG 4.23Å; L49-F92 HydrophobicContact CD1-CZ 3.71Å
50	F	98.1	Very high	92.1	Very high	19 Å²	19	52.9 Å²	52.9	8%	0.083	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	152.2	169.8	-56.2	-96.6	0	0	0	111.4	V48 W57 V58 E59 L90 R91 A93 L104	V48-F50 HydrophobicContact CB-CD2 4.48Å; V48-F50 HydrophobicContact CB-CE2 3.76Å; V48-F50 HydrophobicContact CB-CZ 4.2Å; V48-F50 HydrophobicContact CG1-CD2 4.04Å; V48-F50 HydrophobicContact CG1-CE1 4.15Å; V48-F50 HydrophobicContact CG1-CE2 3.39Å; V48-F50 HydrophobicContact CG1-CZ 3.46Å; V48-F50 VanDerWaalsContact CG1-CZ 3.46Å; F50-W57 HydrophobicContact CB-CB 4.19Å; F50-W57 HydrophobicContact CB-CD2 4.43Å; F50-W57 HydrophobicContact CB-CE3 3.75Å; F50-W57 HydrophobicContact CD1-CB 4.22Å; F50-W57 HydrophobicContact CG-CB 4.43Å; F50-V58 CarbonylContact C-O 3.59Å; F50-V58 WeakPolarHBondContact CA-O 2.99Å; F50-E59 HydrophobicContact CD1-CB 3.99Å; F50-E59 HydrophobicContact CE1-CB 3.86Å; F50-E59 HydrophobicContact CE1-CG 4.28Å; F50-L90 VanDerWaalsContact O-CA 3.31Å; F50-L90 WeakPolarHBondContact O-CA 3.3Å; F50-R91 HydrophobicContact CB-CB 4.19Å; F50-R91 HydrophobicContact CD2-CG 4.3Å; F50-R91 PolarHBondContact N-O 2.82Å; F50-R91 PolarHBondContact O-N 3.38Å; F50-A93 HydrophobicContact CD2-CB 4.44Å; F50-A93 HydrophobicContact CE2-CB 3.97Å; F50-L104 HydrophobicContact CE1-CD1 4.32Å; F50-L104 HydrophobicContact CZ-CD1 3.63Å
51	H	96.4	Very high	93.4	Very high	41 Å²	41	48.9 Å²	48.9	19%	0.19	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	137.2	171	176.3	-124	0	0	0	110.1	V53 V58 L60 K89 L90	H51-V53 VanDerWaalsContact ND1-CG2 3.34Å; H51-V53 WeakPolarHBondContact ND1-CG2 3.46Å; H51-V58 PolarHBondContact N-O 3.35Å; H51-V58 PolarHBondContact O-N 2.52Å; H51-L60 HydrophobicContact CB-CD1 3.75Å; H51-L60 HydrophobicContact CB-CD2 4.1Å; H51-L60 HydrophobicContact CB-CG 3.84Å; H51-K89 WeakPolarHBondContact CA-O 3.31Å; H51-K89 PolarHBondContact CD2-O 3.17Å; H51-L90 HydrophobicContact CB-CD2 4.13Å
52	E	95.4	Very high	94.2	Very high	54 Å²	54	50.4 Å²	50.4	25%	0.252	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.9	176.4	-167.7	-178.8	140.2	0	0	110.2	N56 W57 K89	E52-N56 CarbonylContact C-O 3.55Å; E52-N56 WeakPolarHBondContact CA-O 3.24Å; E52-W57 HydrophobicContact CB-CE3 4.1Å; E52-W57 HydrophobicContact CB-CH2 4.14Å; E52-W57 HydrophobicContact CB-CZ3 3.88Å; E52-K89 HydrophobicContact CB-CB 4Å; E52-K89 HydrophobicContact CB-CD 4.42Å; E52-K89 VanDerWaalsContact CD-NZ 3.32Å; E52-K89 PolarHBondContact N-O 2.87Å; E52-K89 VanDerWaalsContact N-O 3.08Å; E52-K89 IonicContact OE1-NZ 2.98Å; E52-K89 PolarHBondContact OE1-NZ 2.85Å; E52-K89 WeakPolarHBondContact OE2-CD 3.28Å; E52-K89 IonicContact OE2-NZ 2.62Å; E52-K89 PolarHBondContact OE2-NZ 3.02Å
53	V	90.6	Very high	94.9	Very high	62 Å²	62	46.2 Å²	46.2	38%	0.376	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	120	174.2	-176.1	0	0	0	0	108.1	H51 G55 N56 V58	H51-V53 VanDerWaalsContact ND1-CG2 3.34Å; H51-V53 WeakPolarHBondContact ND1-CG2 3.46Å; V53-G55 PolarHBondContact O-N 3.16Å; V53-G55 VanDerWaalsContact O-N 3.16Å; V53-N56 PolarHBondContact N-O 2.92Å; V53-N56 PolarHBondContact O-N 3.15Å; V53-V58 HydrophobicContact CB-CG2 4.19Å; V53-V58 HydrophobicContact CG2-CG2 4.17Å
54	D	86.3	Confident	95.2	Very high	155 Å²	155	49.7 Å²	49.7	83%	0.829	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	40.6	-178.8	-57.9	-38.4	0	0	0	113.3	N56	D54-N56 VanDerWaalsContact C-N 3.29Å; D54-N56 PolarHBondContact O-N 3.04Å; D54-N56 PolarHBondContact O-ND2 3.13Å
55	G	87.8	Confident	95.3	Very high	52 Å²	52	49.8 Å²	49.8	54%	0.536	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	3.2	-179.1	0	0	0	0	0	115.4	V53	V53-G55 PolarHBondContact O-N 3.16Å; V53-G55 VanDerWaalsContact O-N 3.16Å
56	N	94.1	Very high	95.2	Very high	111 Å²	111	50.6 Å²	50.6	59%	0.594	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.4	178.6	-61.4	-73.5	0	0	0	111.3	E52 V53 D54 V58	E52-N56 CarbonylContact C-O 3.55Å; E52-N56 WeakPolarHBondContact CA-O 3.24Å; V53-N56 PolarHBondContact N-O 2.92Å; V53-N56 PolarHBondContact O-N 3.15Å; D54-N56 VanDerWaalsContact C-N 3.29Å; D54-N56 PolarHBondContact O-N 3.04Å; D54-N56 PolarHBondContact O-ND2 3.13Å; N56-V58 PolarHBondContact O-N 3.08Å
57	W	96.2	Very high	95	Very high	86 Å²	86	55.1 Å²	55.1	33%	0.326	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	116.5	174.9	-67.2	104.8	0	0	0	110.8	F50 E52 K89 R91 I114	F50-W57 HydrophobicContact CB-CB 4.19Å; F50-W57 HydrophobicContact CB-CD2 4.43Å; F50-W57 HydrophobicContact CB-CE3 3.75Å; F50-W57 HydrophobicContact CD1-CB 4.22Å; F50-W57 HydrophobicContact CG-CB 4.43Å; E52-W57 HydrophobicContact CB-CE3 4.1Å; E52-W57 HydrophobicContact CB-CH2 4.14Å; E52-W57 HydrophobicContact CB-CZ3 3.88Å; W57-K89 HydrophobicContact CH2-CB 4.2Å; W57-R91 HydrophobicContact CD2-CB 4.33Å; W57-R91 HydrophobicContact CE3-CB 3.79Å; W57-R91 HydrophobicContact CH2-CB 3.79Å; W57-R91 HydrophobicContact CZ2-CB 4.32Å; W57-R91 HydrophobicContact CZ3-CB 3.49Å; W57-R91 VanDerWaalsContact CZ3-CB 3.49Å; W57-I114 HydrophobicContact CH2-CG2 3.87Å; W57-I114 HydrophobicContact CZ2-CD1 4.09Å; W57-I114 HydrophobicContact CZ2-CG2 4.27Å
58	V	96.3	Very high	94.6	Very high	71 Å²	71	58.5 Å²	58.5	43%	0.43	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	128.1	176.1	-177.6	0	0	0	0	109	F50 H51 V53 N56 L60	F50-V58 CarbonylContact C-O 3.59Å; F50-V58 WeakPolarHBondContact CA-O 2.99Å; H51-V58 PolarHBondContact N-O 3.35Å; H51-V58 PolarHBondContact O-N 2.52Å; V53-V58 HydrophobicContact CB-CG2 4.19Å; V53-V58 HydrophobicContact CG2-CG2 4.17Å; N56-V58 PolarHBondContact O-N 3.08Å; V58-L60 PolarHBondContact O-N 3.22Å
59	E	96.4	Very high	94.3	Very high	76 Å²	76	61.2 Å²	61.2	36%	0.355	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	122.7	176.4	-172.4	-179.8	139.4	0	0	110	V48 F50 R62	V48-E59 HydrophobicContact CG1-CG 3.67Å; F50-E59 HydrophobicContact CD1-CB 3.99Å; F50-E59 HydrophobicContact CE1-CB 3.86Å; F50-E59 HydrophobicContact CE1-CG 4.28Å; E59-R62 VanDerWaalsContact OE1-CG 3.29Å; E59-R62 WeakPolarHBondContact OE1-CG 3.49Å; E59-R62 IonicContact OE1-CZ 3.76Å; E59-R62 IonicContact OE1-NE 2.99Å; E59-R62 PolarHBondContact OE1-NE 3.34Å; E59-R62 IonicContact OE1-NH2 3.45Å; E59-R62 PolarHBondContact OE1-NH2 3.1Å; E59-R62 IonicContact OE2-CZ 3.22Å; E59-R62 IonicContact OE2-NE 3.06Å; E59-R62 PolarHBondContact OE2-NE 3.22Å; E59-R62 IonicContact OE2-NH2 2.71Å; E59-R62 PolarHBondContact OE2-NH2 3.17Å
60	L	95.7	Very high	94.1	Very high	84 Å²	84	62.6 Å²	62.6	44%	0.44	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	-31.3	174.4	-69.1	-173.8	0	0	0	112.2	L49 H51 V58 V80 L90	L49-L60 HydrophobicContact CD2-CB 4.37Å; L49-L60 HydrophobicContact CD2-CD1 3.91Å; L49-L60 HydrophobicContact CG-CB 4.34Å; L49-L60 HydrophobicContact CG-CD1 4.17Å; L49-L60 PolarHBondContact O-N 2.97Å; H51-L60 HydrophobicContact CB-CD1 3.75Å; H51-L60 HydrophobicContact CB-CD2 4.1Å; H51-L60 HydrophobicContact CB-CG 3.84Å; V58-L60 PolarHBondContact O-N 3.22Å; L60-V80 HydrophobicContact CD1-CG2 4.18Å; L60-L90 HydrophobicContact CD1-CD2 4.38Å
61	G	96.1	Very high	94	Very high	20 Å²	20	65.3 Å²	65.3	21%	0.206	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.3	179.5	177.4	0	0	0	0	0	113.1	L49	L49-G61 PolarHBondContact N-O 3.21Å
62	R	97.3	Very high	94	Very high	81 Å²	81	63.3 Å²	63.3	31%	0.306	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.5	179.3	-49	-171.5	-176.1	175.2	2.6	110.7	C47 V48 E59 T102	C47-R62 CarbonylContact O-C 3.59Å; C47-R62 VanDerWaalsContact O-CA 3.29Å; C47-R62 WeakPolarHBondContact O-CA 3.37Å; V48-R62 HydrophobicContact CG1-CG 4.24Å; V48-R62 HydrophobicContact CG2-CG 4.05Å; E59-R62 VanDerWaalsContact OE1-CG 3.29Å; E59-R62 WeakPolarHBondContact OE1-CG 3.49Å; E59-R62 IonicContact OE1-CZ 3.76Å; E59-R62 IonicContact OE1-NE 2.99Å; E59-R62 PolarHBondContact OE1-NE 3.34Å; E59-R62 IonicContact OE1-NH2 3.45Å; E59-R62 PolarHBondContact OE1-NH2 3.1Å; E59-R62 IonicContact OE2-CZ 3.22Å; E59-R62 IonicContact OE2-NE 3.06Å; E59-R62 PolarHBondContact OE2-NE 3.22Å; E59-R62 IonicContact OE2-NH2 2.71Å; E59-R62 PolarHBondContact OE2-NH2 3.17Å; R62-T102 PolarHBondContact NH1-O 3.43Å
63	T	97.8	Very high	94	Very high	13 Å²	13	66.1 Å²	66.1	8%	0.08	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-76.9	172.9	166.5	65.4	0	0	0	0	110.9	C47 F74 V76 F78	C47-T63 HydrophobicContact CB-CG2 3.85Å; C47-T63 PolarHBondContact N-OG1 2.81Å; C47-T63 PolarHBondContact O-N 3.22Å; T63-F74 HydrophobicContact CG2-CB 3.76Å; T63-F74 HydrophobicContact CG2-CD1 4.17Å; T63-F74 HydrophobicContact CG2-CD2 4.15Å; T63-F74 HydrophobicContact CG2-CG 3.78Å; T63-F74 VanDerWaalsContact OG1-CD1 3.31Å; T63-F74 WeakPolarHBondContact OG1-CD1 3.33Å; T63-F74 WeakPolarHBondContact OG1-CE1 3.28Å; T63-V76 HydrophobicContact CG2-CB 4.44Å; T63-F78 HydrophobicContact CG2-CE2 3.93Å; T63-F78 HydrophobicContact CG2-CZ 3.64Å
64	E	95.3	Very high	94.4	Very high	73 Å²	73	63.1 Å²	63.1	34%	0.341	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-65.2	159.5	159.5	77.8	-72.9	-177.3	0	0	111.9	F74 G75 V76	E64-F74 WeakPolarHBondContact O-CD1 3.49Å; E64-F74 WeakPolarHBondContact O-CE1 3.15Å; E64-F74 VanDerWaalsContact OE1-CA 3.28Å; E64-F74 WeakPolarHBondContact OE1-CA 3.48Å; E64-G75 PolarHBondContact OE1-N 2.77Å; E64-V76 WeakPolarHBondContact OE2-CB 3.44Å; E64-V76 WeakPolarHBondContact OE2-CG2 3.4Å; E64-V76 PolarHBondContact OE2-N 2.91Å
65	T	95.3	Very high	94.7	Very high	39 Å²	39	58.2 Å²	58.2	24%	0.239	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-82.3	128.4	173.3	-51.3	0	0	0	0	111.1	D44 E97	D44-T65 HydrophobicContact CB-CG2 3.81Å; D44-T65 WeakPolarHBondContact O-CG2 3.2Å; T65-E97 WeakPolarHBondContact CB-OE2 3.27Å; T65-E97 HydrophobicContact CG2-CB 3.82Å; T65-E97 WeakPolarHBondContact CG2-OE2 3.26Å; T65-E97 PolarHBondContact OG1-OE2 3.12Å
66	A	93.7	Very high	95.1	Very high	16 Å²	16	58.6 Å²	58.6	13%	0.132	33%	0.328	C	S	.	.			trans	-94.3	97.2	176.1	0	0	0	0	0	110.6	D44 P45 N68 N69 P72 F74	D44-A66 WeakPolarHBondContact CA-O 3.46Å; P45-A66 WeakPolarHBondContact CD-O 3.49Å; P45-A66 HydrophobicContact CG-CB 4.34Å; P45-A66 PolarHBondContact O-N 2.86Å; A66-N68 PolarHBondContact O-N 3.02Å; A66-N69 HydrophobicContact CB-CB 4.24Å; A66-P72 HydrophobicContact CB-CB 3.49Å; A66-P72 VanDerWaalsContact CB-CB 3.49Å; A66-F74 HydrophobicContact CB-CE1 4.12Å
67	V	91.7	Very high	95.3	Very high	105 Å²	105	56.7 Å²	56.7	64%	0.636	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	127.8	-175.1	-178.4	0	0	0	0	112.3	D44 N69	D44-V67 VanDerWaalsContact OD1-CA 3.24Å; D44-V67 WeakPolarHBondContact OD1-CA 3.41Å; V67-N69 PolarHBondContact O-N 2.98Å
68	N	89.5	Confident	95.3	Very high	71 Å²	71	53.2 Å²	53.2	38%	0.38	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	44.9	173.2	-81.3	-105.3	0	0	0	113.3	S41 K42 S43 D44 A66	S41-N68 WeakPolarHBondContact CB-OD1 3.19Å; K42-N68 HydrophobicContact CB-CB 4.34Å; K42-N68 WeakPolarHBondContact CD-O 3.33Å; K42-N68 PolarHBondContact N-OD1 3.25Å; K42-N68 WeakPolarHBondContact O-CA 3.44Å; K42-N68 PolarHBondContact O-OD1 3.07Å; S43-N68 CarbonylContact O-C 3.58Å; S43-N68 WeakPolarHBondContact O-CA 3.37Å; D44-N68 PolarHBondContact OD1-N 3.08Å; D44-N68 PolarHBondContact OD1-ND2 3.42Å; D44-N68 VanDerWaalsContact OD1-ND2 3.14Å; A66-N68 PolarHBondContact O-N 3.02Å
69	N	92.1	Very high	95.2	Very high	57 Å²	57	54.2 Å²	54.2	31%	0.305	30%	0.302	S	S	.	.			trans	-139.5	106	-169.3	-170.4	-0.8	0	0	0	113.9	S43 P45 A66 V67 N71	S43-N69 PolarHBondContact O-N 3.28Å; P45-N69 WeakPolarHBondContact CD-O 3.27Å; P45-N69 WeakPolarHBondContact CG-O 3.38Å; A66-N69 HydrophobicContact CB-CB 4.24Å; V67-N69 PolarHBondContact O-N 2.98Å; N69-N71 PolarHBondContact O-N 2.9Å; N69-N71 VanDerWaalsContact OD1-C 3.23Å; N69-N71 WeakPolarHBondContact OD1-CA 3.34Å; N69-N71 PolarHBondContact OD1-N 3.47Å; N69-N71 PolarHBondContact OD1-O 2.74Å
70	L	93.6	Very high	95.1	Very high	29 Å²	29	51.1 Å²	51.1	15%	0.152	29%	0.288	C	S	.	.	S	Bend	trans	-78	-1.8	175	-54.2	-179.7	0	0	0	114.6	S32 N33 L34 D36 K42 P72	S32-L70 CarbonylContact C-O 3.56Å; N33-L70 PolarHBondContact N-O 3.15Å; L34-L70 HydrophobicContact CB-CB 4.47Å; L34-L70 HydrophobicContact CB-CD2 4.42Å; L34-L70 PolarHBondContact N-O 3.05Å; D36-L70 HydrophobicContact CB-CD1 4.2Å; D36-L70 HydrophobicContact CB-CD2 4.34Å; K42-L70 HydrophobicContact CB-CD2 4.33Å; K42-L70 HydrophobicContact CB-CG 4.29Å; K42-L70 HydrophobicContact CD-CG 4.3Å; K42-L70 HydrophobicContact CG-CD1 4.47Å; K42-L70 HydrophobicContact CG-CG 4.31Å; L70-P72 VanDerWaalsContact C-CD 3.47Å
71	N	96.6	Very high	95	Very high	75 Å²	75	50.6 Å²	50.6	40%	0.401	29%	0.286	S	S	.	.	S	Bend	trans	-132.6	59.5	179.3	-53.1	-81.9	0	0	0	111	A31 S32 N33 N69	A31-N71 CarbonylContact O-C 3.33Å; A31-N71 VanDerWaalsContact O-CA 3.26Å; A31-N71 WeakPolarHBondContact O-CA 3.09Å; S32-N71 VanDerWaalsContact CA-OD1 3.32Å; S32-N71 WeakPolarHBondContact CA-OD1 3.29Å; N33-N71 PolarHBondContact N-OD1 3.45Å; N69-N71 PolarHBondContact O-N 2.9Å; N69-N71 VanDerWaalsContact OD1-C 3.23Å; N69-N71 WeakPolarHBondContact OD1-CA 3.34Å; N69-N71 PolarHBondContact OD1-N 3.47Å; N69-N71 PolarHBondContact OD1-O 2.74Å
72	P	96.4	Very high	94.8	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.277	C	S	.	.			trans	-70.3	142.6	-172.7	32	-38	0	0	0	112.2	T30 A31 L34 P45 A66 L70 F74	T30-P72 WeakPolarHBondContact CA-O 3.37Å; T30-P72 WeakPolarHBondContact CB-O 3.29Å; A31-P72 HydrophobicContact CB-CG 3.81Å; A31-P72 PolarHBondContact N-O 3.15Å; L34-P72 HydrophobicContact CD1-CG 3.93Å; P45-P72 HydrophobicContact CB-CG 4.44Å; P45-P72 HydrophobicContact CG-CB 4.2Å; P45-P72 HydrophobicContact CG-CG 3.84Å; A66-P72 HydrophobicContact CB-CB 3.49Å; A66-P72 VanDerWaalsContact CB-CB 3.49Å; L70-P72 VanDerWaalsContact C-CD 3.47Å; P72-F74 HydrophobicContact CB-CD1 4.32Å; P72-F74 HydrophobicContact CB-CE1 3.71Å; P72-F74 HydrophobicContact CB-CE2 4.02Å; P72-F74 HydrophobicContact CB-CZ 3.55Å; P72-F74 HydrophobicContact CG-CE1 4.12Å; P72-F74 HydrophobicContact CG-CE2 3.72Å; P72-F74 HydrophobicContact CG-CZ 3.42Å; P72-F74 VanDerWaalsContact CG-CZ 3.42Å
73	V	96.3	Very high	94.6	Very high	112 Å²	112	47.9 Å²	47.9	68%	0.679	27%	0.271	S	S	*	.	B	Isolated β-bridge	trans	-114.6	107	167.1	177.8	0	0	0	0	106.4	T30	T30-V73 HydrophobicContact CG2-CB 4.28Å; T30-V73 HydrophobicContact CG2-CG1 3.97Å; T30-V73 HydrophobicContact CG2-CG2 4.17Å
74	F	97.3	Very high	94.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	27%	0.267	C	S	.	.			trans	-83.8	132.6	-174.6	-57.4	-69.7	0	0	0	111.5	V29 P45 C47 T63 E64 A66 P72 K77 M94	V29-F74 HydrophobicContact CB-CD2 4.26Å; V29-F74 HydrophobicContact CG1-CD2 4.19Å; V29-F74 HydrophobicContact CG1-CE2 4.49Å; V29-F74 WeakPolarHBondContact O-CD2 3.49Å; V29-F74 PolarHBondContact O-N 3.24Å; P45-F74 WeakPolarHBondContact O-CE1 3.25Å; C47-F74 HydrophobicContact CB-CD2 4.37Å; C47-F74 HydrophobicContact CB-CE2 3.97Å; C47-F74 HydrophobicContact CB-CZ 4.34Å; T63-F74 HydrophobicContact CG2-CB 3.76Å; T63-F74 HydrophobicContact CG2-CD1 4.17Å; T63-F74 HydrophobicContact CG2-CD2 4.15Å; T63-F74 HydrophobicContact CG2-CG 3.78Å; T63-F74 VanDerWaalsContact OG1-CD1 3.31Å; T63-F74 WeakPolarHBondContact OG1-CD1 3.33Å; T63-F74 WeakPolarHBondContact OG1-CE1 3.28Å; E64-F74 WeakPolarHBondContact O-CD1 3.49Å; E64-F74 WeakPolarHBondContact O-CE1 3.15Å; E64-F74 VanDerWaalsContact OE1-CA 3.28Å; E64-F74 WeakPolarHBondContact OE1-CA 3.48Å; A66-F74 HydrophobicContact CB-CE1 4.12Å; P72-F74 HydrophobicContact CB-CD1 4.32Å; P72-F74 HydrophobicContact CB-CE1 3.71Å; P72-F74 HydrophobicContact CB-CE2 4.02Å; P72-F74 HydrophobicContact CB-CZ 3.55Å; P72-F74 HydrophobicContact CG-CE1 4.12Å; P72-F74 HydrophobicContact CG-CE2 3.72Å; P72-F74 HydrophobicContact CG-CZ 3.42Å; P72-F74 VanDerWaalsContact CG-CZ 3.42Å; F74-K77 PolarHBondContact O-NZ 2.8Å; F74-K77 VanDerWaalsContact O-NZ 3.11Å; F74-M94 HydrophobicContact CE2-CE 4.22Å; F74-M94 HydrophobicContact CE2-SD 4.15Å; F74-M94 HydrophobicContact CZ-SD 4.41Å
75	G	93.9	Very high	94.1	Very high	52 Å²	52	45.7 Å²	45.7	54%	0.536	26%	0.26	S	S	.	.			trans	-77.2	-39	175.2	0	0	0	0	0	112.2	E64 K77	E64-G75 PolarHBondContact OE1-N 2.77Å; G75-K77 WeakPolarHBondContact O-CE 3.5Å; G75-K77 PolarHBondContact O-N 2.96Å
76	V	96.7	Very high	93.8	Very high	59 Å²	59	46.5 Å²	46.5	36%	0.358	26%	0.261	S	S	.	.			trans	-64.3	133.4	174.7	171.5	0	0	0	0	110.4	T63 E64	T63-V76 HydrophobicContact CG2-CB 4.44Å; E64-V76 WeakPolarHBondContact OE2-CB 3.44Å; E64-V76 WeakPolarHBondContact OE2-CG2 3.4Å; E64-V76 PolarHBondContact OE2-N 2.91Å
77	K	96.4	Very high	93.6	Very high	72 Å²	72	49.1 Å²	49.1	31%	0.313	27%	0.272	S	S	.	.			trans	-112.4	139.7	177.6	-49.3	-56.4	-179	-172.2	0	109.9	E26 S28 F74 G75	E26-K77 HydrophobicContact CG-CB 3.46Å; E26-K77 VanDerWaalsContact CG-CB 3.46Å; E26-K77 HydrophobicContact CG-CG 4.05Å; S28-K77 WeakPolarHBondContact OG-CD 3.48Å; S28-K77 WeakPolarHBondContact OG-CE 3.39Å; S28-K77 PolarHBondContact OG-NZ 2.68Å; F74-K77 PolarHBondContact O-NZ 2.8Å; F74-K77 VanDerWaalsContact O-NZ 3.11Å; G75-K77 WeakPolarHBondContact O-CE 3.5Å; G75-K77 PolarHBondContact O-N 2.96Å
78	F	97.1	Very high	93.7	Very high	12 Å²	12	44.6 Å²	44.6	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	135.1	175.1	-57.7	-66.5	0	0	0	110	E26 L27 V29 L49 T63	E26-F78 CarbonylContact C-O 3.48Å; E26-F78 WeakPolarHBondContact CA-O 3.35Å; L27-F78 HydrophobicContact CB-CB 4.29Å; L27-F78 PolarHBondContact N-O 2.88Å; L27-F78 PolarHBondContact O-N 3.1Å; V29-F78 HydrophobicContact CG2-CD2 4Å; V29-F78 HydrophobicContact CG2-CE2 3.9Å; L49-F78 HydrophobicContact CB-CD1 3.93Å; L49-F78 HydrophobicContact CB-CD2 3.98Å; L49-F78 HydrophobicContact CB-CE1 3.87Å; L49-F78 HydrophobicContact CB-CE2 3.9Å; L49-F78 HydrophobicContact CB-CG 3.98Å; L49-F78 HydrophobicContact CB-CZ 3.84Å; L49-F78 HydrophobicContact CD2-CB 3.47Å; L49-F78 VanDerWaalsContact CD2-CB 3.47Å; L49-F78 HydrophobicContact CD2-CD1 4.07Å; L49-F78 HydrophobicContact CD2-CD2 3.9Å; L49-F78 HydrophobicContact CD2-CG 3.55Å; L49-F78 HydrophobicContact CG-CD2 4.5Å; L49-F78 HydrophobicContact CG-CG 4.4Å; T63-F78 HydrophobicContact CG2-CE2 3.93Å; T63-F78 HydrophobicContact CG2-CZ 3.64Å
79	Q	95.1	Very high	94.1	Very high	92 Å²	92	44.9 Å²	44.9	43%	0.43	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	124.1	173.8	-63.8	-172.9	-1.2	0	0	109.4	R24 V25 L150	R24-Q79 HydrophobicContact CG-CB 4.37Å; V25-Q79 WeakPolarHBondContact O-CA 3.47Å; Q79-L150 HydrophobicContact CG-CD1 3.81Å
80	V	94.2	Very high	94.4	Very high	11 Å²	11	42.2 Å²	42.2	7%	0.067	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	134.4	-178.1	-169.7	0	0	0	0	108.6	V25 L27 L49 L60 L117	V25-V80 PolarHBondContact N-O 3.45Å; V25-V80 PolarHBondContact O-N 2.7Å; L27-V80 HydrophobicContact CD1-CG2 3.88Å; L49-V80 HydrophobicContact CD2-CG2 4.03Å; L60-V80 HydrophobicContact CD1-CG2 4.18Å; V80-L117 HydrophobicContact CB-CD2 4.33Å; V80-L117 HydrophobicContact CG1-CD2 3.9Å
81	D	93.1	Very high	94.6	Very high	74 Å²	74	43.5 Å²	43.5	40%	0.396	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.9	173.6	-60.6	-19.9	0	0	0	108.5	V22 R24 Q88	V22-D81 HydrophobicContact CG1-CB 3.84Å; R24-D81 IonicContact CZ-OD1 3.31Å; R24-D81 IonicContact NE-OD1 3.84Å; R24-D81 PolarHBondContact NE-OD1 2.8Å; R24-D81 VanDerWaalsContact NE-OD1 3.12Å; D81-Q88 PolarHBondContact O-NE2 3.23Å
82	Y	92.6	Very high	94.7	Very high	4 Å²	4	39.9 Å²	39.9	2%	0.016	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	129.8	-176	170.2	-104.7	0	0	0	110.7	C21 T23 V25 F84 L117 V121 F295 L296 Y351	C21-Y82 VanDerWaalsContact O-O 3.06Å; T23-Y82 WeakPolarHBondContact O-CB 3.31Å; T23-Y82 PolarHBondContact O-N 2.81Å; V25-Y82 HydrophobicContact CG2-CG 4.36Å; Y82-F84 HydrophobicContact CE1-CB 4.16Å; Y82-L117 HydrophobicContact CD2-CD2 3.87Å; Y82-L117 HydrophobicContact CD2-CG 4.07Å; Y82-L117 HydrophobicContact CG-CD2 4.48Å; Y82-V121 HydrophobicContact CE2-CG2 4.03Å; Y82-F295 HydrophobicContact CE1-CD1 4.45Å; Y82-F295 HydrophobicContact CE1-CE1 4.48Å; Y82-L296 HydrophobicContact CD1-CD1 4.31Å; Y82-L296 HydrophobicContact CD1-CD2 4.35Å; Y82-L296 HydrophobicContact CE1-CD1 3.98Å; Y82-Y351 WeakPolarHBondContact CE2-OH 3.47Å; Y82-Y351 VanDerWaalsContact OH-CE1 3.27Å; Y82-Y351 WeakPolarHBondContact OH-CE1 3.49Å; Y82-Y351 VanDerWaalsContact OH-CZ 3.28Å; Y82-Y351 PolarHBondContact OH-OH 3.34Å
83	H	92.1	Very high	94.7	Very high	39 Å²	39	39.9 Å²	39.9	18%	0.181	21%	0.211	C	C	.	.			trans	-126.2	111.2	174.5	-55.6	98.7	0	0	0	107.6	V22 E85 E86 Q88	V22-H83 WeakPolarHBondContact CG2-NE2 2.85Å; H83-E85 PolarHBondContact O-N 3.49Å; H83-E86 HydrophobicContact CB-CB 3.99Å; H83-E86 HydrophobicContact CB-CG 3.76Å; H83-E86 IonicContact CG-OE2 2.67Å; H83-E86 IonicContact ND1-OE2 2.87Å; H83-E86 PolarHBondContact O-N 3.17Å; H83-Q88 PolarHBondContact O-OE1 3.37Å
84	F	91.9	Very high	94.8	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-38.3	-176.9	166.8	-109.8	0	0	0	111.8	Y82 E86 F295 L305 I347 Y351 L523 L526 P527	Y82-F84 HydrophobicContact CE1-CB 4.16Å; F84-E86 VanDerWaalsContact C-N 3.29Å; F84-E86 PolarHBondContact O-N 2.92Å; F84-F295 HydrophobicContact CB-CE1 4.2Å; F84-F295 AromaticContact CD2-CE1 3.46Å; F84-F295 HydrophobicContact CD2-CE1 3.46Å; F84-F295 VanDerWaalsContact CD2-CE1 3.46Å; F84-F295 AromaticContact CD2-CZ 3.6Å; F84-F295 HydrophobicContact CD2-CZ 3.6Å; F84-F295 HydrophobicContact CE2-CE1 4.03Å; F84-F295 AromaticContact CE2-CZ 3.66Å; F84-F295 HydrophobicContact CE2-CZ 3.66Å; F84-F295 AromaticContact CG-CE1 3.92Å; F84-F295 HydrophobicContact CG-CE1 3.92Å; F84-F295 HydrophobicContact CG-CZ 4.24Å; F84-F295 HydrophobicContact CZ-CZ 4.33Å; F84-L305 HydrophobicContact CE2-CD1 3.88Å; F84-L305 HydrophobicContact CZ-CD1 4.01Å; F84-I347 WeakPolarHBondContact O-CG2 3.33Å; F84-Y351 HydrophobicContact CD2-CD2 4.47Å; F84-Y351 HydrophobicContact CD2-CE1 4.2Å; F84-Y351 AromaticContact CD2-CE2 3.77Å; F84-Y351 HydrophobicContact CD2-CE2 3.77Å; F84-Y351 AromaticContact CD2-CZ 3.61Å; F84-Y351 AromaticContact CE2-CD2 3.83Å; F84-Y351 HydrophobicContact CE2-CD2 3.83Å; F84-Y351 HydrophobicContact CE2-CE1 4.34Å; F84-Y351 AromaticContact CE2-CE2 3.52Å; F84-Y351 HydrophobicContact CE2-CE2 3.52Å; F84-Y351 HydrophobicContact CE2-CG 4.36Å; F84-Y351 AromaticContact CE2-CZ 3.81Å; F84-L523 HydrophobicContact CD1-CB 4.17Å; F84-L523 HydrophobicContact CE1-CB 3.82Å; F84-L523 HydrophobicContact CE1-CD1 4.39Å; F84-L523 HydrophobicContact CE1-CD2 4.14Å; F84-L523 HydrophobicContact CE1-CG 4.35Å; F84-L523 HydrophobicContact CZ-CD2 4.49Å; F84-L526 HydrophobicContact CE1-CB 4.06Å; F84-L526 HydrophobicContact CE1-CD2 3.96Å; F84-L526 HydrophobicContact CE1-CG 4.3Å; F84-L526 HydrophobicContact CZ-CD2 3.75Å; F84-L526 HydrophobicContact CZ-CG 4.35Å; F84-P527 HydrophobicContact CB-CG 4.04Å; F84-P527 HydrophobicContact CD1-CG 3.42Å; F84-P527 VanDerWaalsContact CD1-CG 3.42Å; F84-P527 HydrophobicContact CE1-CG 4.04Å; F84-P527 HydrophobicContact CG-CG 3.8Å
85	E	89.6	Confident	94.7	Very high	39 Å²	39	35.4 Å²	35.4	18%	0.182	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	9.1	-173.3	71.8	-80.9	-168.8	0	0	114.5	H83 I347 K520 L523	H83-E85 PolarHBondContact O-N 3.49Å; E85-I347 VanDerWaalsContact O-CD1 3.28Å; E85-I347 WeakPolarHBondContact O-CD1 3.23Å; E85-K520 HydrophobicContact CB-CG 4.4Å; E85-K520 HydrophobicContact CG-CB 4.13Å; E85-K520 HydrophobicContact CG-CG 3.6Å; E85-L523 HydrophobicContact CB-CB 3.92Å
86	E	89	Confident	94.7	Very high	56 Å²	56	33 Å²	33	26%	0.262	16%	0.157	S	C	.	.	S	Bend	trans	-123	145.6	-179.9	-62.8	-173	167.5	0	0	112.9	H83 F84 Q88 K520	H83-E86 HydrophobicContact CB-CB 3.99Å; H83-E86 HydrophobicContact CB-CG 3.76Å; H83-E86 IonicContact CG-OE2 2.67Å; H83-E86 IonicContact ND1-OE2 2.87Å; H83-E86 PolarHBondContact O-N 3.17Å; F84-E86 VanDerWaalsContact C-N 3.29Å; F84-E86 PolarHBondContact O-N 2.92Å; E86-Q88 HydrophobicContact CB-CG 3.9Å; E86-Q88 PolarHBondContact O-N 2.82Å; E86-K520 WeakPolarHBondContact OE1-CE 3.45Å; E86-K520 IonicContact OE1-NZ 2.7Å; E86-K520 PolarHBondContact OE1-NZ 3.26Å
87	I	90.9	Very high	94.4	Very high	72 Å²	72	33.2 Å²	33.2	37%	0.369	16%	0.155	S	C	.	.			trans	-84.4	89.7	168.5	-54.2	176.9	0	0	0	108.5	K89 T116 Q346 I347	I87-K89 HydrophobicContact CG2-CG 4.07Å; I87-K89 PolarHBondContact O-N 2.95Å; I87-T116 HydrophobicContact CG2-CG2 3.79Å; I87-Q346 HydrophobicContact CD1-CB 3.68Å; I87-I347 HydrophobicContact CD1-CG1 4.23Å; I87-I347 HydrophobicContact CG1-CD1 4.3Å; I87-I347 HydrophobicContact CG1-CG1 3.48Å; I87-I347 VanDerWaalsContact CG1-CG1 3.48Å
88	Q	93.7	Very high	93.4	Very high	9 Å²	9	32.4 Å²	32.4	4%	0.042	15%	0.154	C	C	.	.			trans	-90.4	91.8	-179.6	-58.4	-179.5	-92.1	0	0	110.7	D81 H83 E86 T116 L117	D81-Q88 PolarHBondContact O-NE2 3.23Å; H83-Q88 PolarHBondContact O-OE1 3.37Å; E86-Q88 HydrophobicContact CB-CG 3.9Å; E86-Q88 PolarHBondContact O-N 2.82Å; Q88-T116 CarbonylContact O-C 3.59Å; Q88-T116 VanDerWaalsContact O-CA 3.28Å; Q88-T116 WeakPolarHBondContact O-CA 3.48Å; Q88-L117 HydrophobicContact CB-CB 4.02Å; Q88-L117 PolarHBondContact O-N 2.93Å
89	K	96.9	Very high	92	Very high	78 Å²	78	40.8 Å²	40.8	34%	0.339	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	132.4	-179.2	-65.7	168.6	-179.7	169.9	0	111.7	H51 E52 W57 I87 C115 T116	H51-K89 WeakPolarHBondContact CA-O 3.31Å; H51-K89 PolarHBondContact CD2-O 3.17Å; E52-K89 HydrophobicContact CB-CB 4Å; E52-K89 HydrophobicContact CB-CD 4.42Å; E52-K89 VanDerWaalsContact CD-NZ 3.32Å; E52-K89 PolarHBondContact N-O 2.87Å; E52-K89 VanDerWaalsContact N-O 3.08Å; E52-K89 IonicContact OE1-NZ 2.98Å; E52-K89 PolarHBondContact OE1-NZ 2.85Å; E52-K89 WeakPolarHBondContact OE2-CD 3.28Å; E52-K89 IonicContact OE2-NZ 2.62Å; E52-K89 PolarHBondContact OE2-NZ 3.02Å; W57-K89 HydrophobicContact CH2-CB 4.2Å; I87-K89 HydrophobicContact CG2-CG 4.07Å; I87-K89 PolarHBondContact O-N 2.95Å; K89-C115 CarbonylContact C-O 3.55Å; K89-C115 WeakPolarHBondContact CA-O 3.49Å; K89-T116 HydrophobicContact CG-CG2 4.22Å
90	L	98.1	Very high	90.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	140.9	-179.8	-62.3	179.5	0	0	0	110.5	L27 L49 F50 H51 L60 F92 I114 C115 L117 I120	L27-L90 HydrophobicContact CD1-CD1 3.9Å; L49-L90 HydrophobicContact CD1-CB 4.08Å; L49-L90 HydrophobicContact CD1-CD2 4.27Å; F50-L90 VanDerWaalsContact O-CA 3.31Å; F50-L90 WeakPolarHBondContact O-CA 3.3Å; H51-L90 HydrophobicContact CB-CD2 4.13Å; L60-L90 HydrophobicContact CD1-CD2 4.38Å; L90-F92 HydrophobicContact CB-CE2 3.9Å; L90-F92 HydrophobicContact CB-CZ 4.49Å; L90-F92 HydrophobicContact CD1-CZ 4.41Å; L90-I114 WeakPolarHBondContact O-CA 3.45Å; L90-C115 PolarHBondContact N-O 2.82Å; L90-C115 PolarHBondContact O-N 2.79Å; L90-C115 VanDerWaalsContact O-O 3.08Å; L90-L117 HydrophobicContact CD1-CB 4.08Å; L90-L117 HydrophobicContact CD1-CD1 4.04Å; L90-I120 HydrophobicContact CD1-CD1 3.86Å
91	R	98.1	Very high	89.6	Confident	56 Å²	56	43.2 Å²	43.2	21%	0.211	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.8	174.8	172	-179.4	-178.8	-148.7	1.1	109.3	F50 W57 E112 I114	F50-R91 HydrophobicContact CB-CB 4.19Å; F50-R91 HydrophobicContact CD2-CG 4.3Å; F50-R91 PolarHBondContact N-O 2.82Å; F50-R91 PolarHBondContact O-N 3.38Å; W57-R91 HydrophobicContact CD2-CB 4.33Å; W57-R91 HydrophobicContact CE3-CB 3.79Å; W57-R91 HydrophobicContact CH2-CB 3.79Å; W57-R91 HydrophobicContact CZ2-CB 4.32Å; W57-R91 HydrophobicContact CZ3-CB 3.49Å; W57-R91 VanDerWaalsContact CZ3-CB 3.49Å; R91-E112 IonicContact CZ-OE2 2.64Å; R91-E112 IonicContact NE-OE2 3.56Å; R91-E112 PolarHBondContact NE-OE2 2.9Å; R91-E112 IonicContact NH2-OE2 2.74Å; R91-E112 PolarHBondContact NH2-OE2 3.36Å; R91-I114 HydrophobicContact CB-CG1 3.95Å; R91-I114 HydrophobicContact CG-CD1 4.34Å; R91-I114 HydrophobicContact CG-CG1 3.86Å
92	F	98.4	Very high	88.7	Confident	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	104.2	174.5	-61.7	-98.2	0	0	0	107.6	L27 V29 L49 L90 E112 F113 I120 I145	L27-F92 HydrophobicContact CD1-CZ 4.13Å; V29-F92 HydrophobicContact CG2-CD1 3.87Å; V29-F92 HydrophobicContact CG2-CE1 3.77Å; L49-F92 HydrophobicContact CD1-CD1 3.93Å; L49-F92 HydrophobicContact CD1-CD2 4.28Å; L49-F92 HydrophobicContact CD1-CE1 3.67Å; L49-F92 HydrophobicContact CD1-CE2 4.02Å; L49-F92 HydrophobicContact CD1-CG 4.23Å; L49-F92 HydrophobicContact CD1-CZ 3.71Å; L90-F92 HydrophobicContact CB-CE2 3.9Å; L90-F92 HydrophobicContact CB-CZ 4.49Å; L90-F92 HydrophobicContact CD1-CZ 4.41Å; F92-E112 CarbonylContact O-C 3.59Å; F92-E112 WeakPolarHBondContact O-CA 3.46Å; F92-F113 HydrophobicContact CD2-CD1 4.32Å; F92-F113 PolarHBondContact N-O 3.43Å; F92-F113 PolarHBondContact O-N 2.8Å; F92-I120 HydrophobicContact CE2-CD1 3.85Å; F92-I120 HydrophobicContact CZ-CD1 3.81Å; F92-I145 HydrophobicContact CD1-CD1 4.07Å; F92-I145 HydrophobicContact CD1-CG1 4.12Å; F92-I145 HydrophobicContact CD2-CD1 3.59Å; F92-I145 HydrophobicContact CE1-CD1 3.94Å; F92-I145 HydrophobicContact CE1-CG1 3.89Å; F92-I145 HydrophobicContact CE1-CG2 4.2Å; F92-I145 HydrophobicContact CE2-CD1 3.47Å; F92-I145 VanDerWaalsContact CE2-CD1 3.47Å; F92-I145 HydrophobicContact CE2-CG1 4.32Å; F92-I145 HydrophobicContact CG-CD1 3.91Å; F92-I145 HydrophobicContact CG-CG1 4.42Å; F92-I145 HydrophobicContact CZ-CD1 3.64Å; F92-I145 HydrophobicContact CZ-CG1 4Å; F92-I145 HydrophobicContact CZ-CG2 4.02Å
93	A	97.9	Very high	88.4	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	132.3	-179.8	0	0	0	0	0	110	C47 V48 F50 F95 F109 E112	C47-A93 CarbonylContact C-O 3.57Å; C47-A93 WeakPolarHBondContact CA-O 3.34Å; V48-A93 PolarHBondContact N-O 2.73Å; V48-A93 PolarHBondContact O-N 3.28Å; F50-A93 HydrophobicContact CD2-CB 4.44Å; F50-A93 HydrophobicContact CE2-CB 3.97Å; A93-F95 HydrophobicContact CB-CD2 4.35Å; A93-F95 HydrophobicContact CB-CE2 3.54Å; A93-F95 HydrophobicContact CB-CZ 4.15Å; A93-F109 HydrophobicContact CB-CE2 4.14Å; A93-E112 HydrophobicContact CB-CB 4.47Å
94	M	97.4	Very high	88	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.2	177.9	-62.3	-68.6	171	0	0	109.3	V29 A31 L34 C47 F74 L110 G111 L130 V143	V29-M94 HydrophobicContact CG1-CE 3.73Å; A31-M94 HydrophobicContact CB-CE 4.03Å; A31-M94 HydrophobicContact CB-SD 4.37Å; L34-M94 HydrophobicContact CD2-CG 4.38Å; C47-M94 HydrophobicContact CB-CE 3.75Å; C47-M94 HydrophobicContact CB-SD 3.59Å; C47-M94 VanDerWaalsContact CB-SD 3.59Å; C47-M94 VanDerWaalsContact SG-CE 3.57Å; F74-M94 HydrophobicContact CE2-CE 4.22Å; F74-M94 HydrophobicContact CE2-SD 4.15Å; F74-M94 HydrophobicContact CZ-SD 4.41Å; M94-L110 HydrophobicContact CB-CB 3.94Å; M94-L110 PolarHBondContact O-N 3.38Å; M94-G111 PolarHBondContact N-O 2.79Å; M94-G111 PolarHBondContact O-N 2.9Å; M94-L130 HydrophobicContact CG-CD1 3.93Å; M94-L130 HydrophobicContact CG-CD2 4.36Å; M94-V143 HydrophobicContact CE-CB 4.29Å; M94-V143 HydrophobicContact CE-CG2 3.65Å
95	F	95.8	Very high	87.7	Confident	18 Å²	18	57 Å²	57	8%	0.079	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	154.3	178.2	-64.8	-92.7	0	0	0	110	P45 F46 V48 A93 L104 H107 D108 F109	P45-F95 CarbonylContact C-O 3.59Å; P45-F95 WeakPolarHBondContact CA-O 3.49Å; F46-F95 HydrophobicContact CD1-CB 4.21Å; F46-F95 HydrophobicContact CE1-CB 3.57Å; F46-F95 HydrophobicContact CE2-CB 4.03Å; F46-F95 HydrophobicContact CE2-CD2 4.22Å; F46-F95 HydrophobicContact CE2-CG 4.42Å; F46-F95 HydrophobicContact CZ-CB 3.47Å; F46-F95 VanDerWaalsContact CZ-CB 3.47Å; F46-F95 HydrophobicContact CZ-CD2 4.36Å; F46-F95 HydrophobicContact CZ-CG 4.1Å; F46-F95 PolarHBondContact N-O 3.37Å; F46-F95 PolarHBondContact O-N 2.83Å; V48-F95 HydrophobicContact CB-CD2 4.49Å; V48-F95 HydrophobicContact CB-CE2 4.19Å; V48-F95 HydrophobicContact CG2-CD2 3.73Å; V48-F95 HydrophobicContact CG2-CE2 3.77Å; A93-F95 HydrophobicContact CB-CD2 4.35Å; A93-F95 HydrophobicContact CB-CE2 3.54Å; A93-F95 HydrophobicContact CB-CZ 4.15Å; F95-L104 HydrophobicContact CD2-CD2 4.39Å; F95-L104 HydrophobicContact CE1-CB 4.48Å; F95-L104 HydrophobicContact CE2-CD2 4.28Å; F95-L104 HydrophobicContact CZ-CB 4.47Å; F95-L104 HydrophobicContact CZ-CD1 4.46Å; F95-H107 HydrophobicContact CB-CB 4.11Å; F95-H107 HydrophobicContact CD1-CB 4.23Å; F95-D108 CarbonylContact C-O 3.56Å; F95-D108 VanDerWaalsContact CA-O 3.29Å; F95-D108 WeakPolarHBondContact CA-O 3.43Å; F95-F109 HydrophobicContact CD1-CB 4.42Å; F95-F109 HydrophobicContact CD1-CD2 4.15Å; F95-F109 HydrophobicContact CE1-CB 4.36Å; F95-F109 AromaticContact CE1-CD2 3.74Å; F95-F109 HydrophobicContact CE1-CD2 3.74Å; F95-F109 AromaticContact CZ-CD2 3.96Å; F95-F109 HydrophobicContact CZ-CD2 3.96Å; F95-F109 HydrophobicContact CZ-CE2 4.42Å
96	D	93.6	Very high	87.4	Confident	1 Å²	1	59.2 Å²	59.2	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.9	171.2	-162.3	1.6	0	0	0	109.4	R37 S43 D44 D98 H107 D108 L110	R37-D96 WeakPolarHBondContact CB-OD2 3.48Å; S43-D96 WeakPolarHBondContact CA-OD1 3.27Å; S43-D96 WeakPolarHBondContact CA-OD2 3.44Å; S43-D96 VanDerWaalsContact CB-CG 3.41Å; S43-D96 WeakPolarHBondContact CB-OD1 3.29Å; S43-D96 WeakPolarHBondContact CB-OD2 2.99Å; S43-D96 PolarHBondContact OG-OD2 2.88Å; D44-D96 WeakPolarHBondContact CA-OD1 3.35Å; D44-D96 PolarHBondContact N-OD1 3.33Å; D96-D98 PolarHBondContact O-N 3.04Å; D96-H107 VanDerWaalsContact O-CB 3.29Å; D96-H107 WeakPolarHBondContact O-CB 3.3Å; D96-D108 HydrophobicContact CB-CB 3.91Å; D96-D108 PolarHBondContact N-O 2.77Å; D96-D108 PolarHBondContact O-N 2.86Å; D96-L110 HydrophobicContact CB-CD1 4.04Å; D96-L110 HydrophobicContact CB-CD2 4.02Å; D96-L110 HydrophobicContact CB-CG 4.06Å
97	E	90.4	Very high	87.4	Confident	64 Å²	64	57.1 Å²	57.1	30%	0.299	28%	0.282	S	S	.	.			trans	-76	91	-175.2	-168.1	175	-162	0	0	112.5	D44 F46 T65 K99	D44-E97 HydrophobicContact CB-CB 4.4Å; D44-E97 PolarHBondContact O-N 3.22Å; F46-E97 HydrophobicContact CD1-CB 4.02Å; F46-E97 HydrophobicContact CE1-CB 4.02Å; F46-E97 HydrophobicContact CE1-CG 4.49Å; T65-E97 WeakPolarHBondContact CB-OE2 3.27Å; T65-E97 HydrophobicContact CG2-CB 3.82Å; T65-E97 WeakPolarHBondContact CG2-OE2 3.26Å; T65-E97 PolarHBondContact OG1-OE2 3.12Å; E97-K99 PolarHBondContact O-N 3.42Å
98	D	74.9	Confident	87.4	Confident	55 Å²	55	56.9 Å²	56.9	29%	0.294	28%	0.281	S	S	.	.			trans	-79.8	99.5	171.5	-73	-56	0	0	0	112.8	D96 H107 D108	D96-D98 PolarHBondContact O-N 3.04Å; D98-H107 PolarHBondContact N-ND1 2.9Å; D98-D108 WeakPolarHBondContact OD2-CB 3.16Å; D98-D108 PolarHBondContact OD2-N 2.78Å
99	K	67.8	Low	87.5	Confident	188 Å²	188	58.5 Å²	58.5	82%	0.817	29%	0.288	S	S	*	.	S	Bend	trans	60	172.3	-179.7	-58.9	173.5	-178	166.7	0	113.3	E97 A101	E97-K99 PolarHBondContact O-N 3.42Å; K99-A101 PolarHBondContact O-N 2.73Å
100	C	65.4	Low	87.4	Confident	136 Å²	136	54.8 Å²	54.8	92%	0.919	27%	0.272	S	S	*	.	S	Bend	trans	-69.3	51	-178.1	-54.2	0	0	0	0	114.1
101	A	72.9	Confident	87.4	Confident	17 Å²	17	54.8 Å²	54.8	14%	0.14	27%	0.272	C	S	.	.			trans	-86.6	150.2	173.7	0	0	0	0	0	110.4	K99 E106 H107	K99-A101 PolarHBondContact O-N 2.73Å; A101-E106 HydrophobicContact CB-CB 3.74Å; A101-E106 HydrophobicContact CB-CG 4.46Å; A101-E106 WeakPolarHBondContact CB-OE2 3.22Å; A101-H107 PolarHBondContact O-CE1 3.33Å; A101-H107 PolarHBondContact O-NE2 3Å
102	T	75.9	Confident	87.4	Confident	102 Å²	102	53.2 Å²	53.2	63%	0.626	27%	0.267	S	S	*	.			trans	-104.8	-16.5	175.1	52.8	0	0	0	0	112.4	R62	R62-T102 PolarHBondContact NH1-O 3.43Å
103	Q	84.6	Confident	87.3	Confident	96 Å²	96	54.5 Å²	54.5	45%	0.449	27%	0.272	S	S	.	.	S	Bend	trans	-95.4	131.8	-172.2	-60.7	-61.1	-38.4	0	0	111.2	Y105 E106 H107	Q103-Y105 VanDerWaalsContact C-N 3.28Å; Q103-Y105 HydrophobicContact CB-CD1 3.83Å; Q103-Y105 HydrophobicContact CB-CE1 3.38Å; Q103-Y105 HydrophobicContact CG-CE1 3.83Å; Q103-Y105 PolarHBondContact O-N 3.35Å; Q103-E106 HydrophobicContact CB-CG 4.15Å; Q103-E106 WeakPolarHBondContact O-CB 3.13Å; Q103-E106 PolarHBondContact O-N 2.84Å; Q103-H107 PolarHBondContact O-CD2 3.42Å
104	L	85.4	Confident	87.3	Confident	32 Å²	32	58 Å²	58	17%	0.168	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-63	-29	-173.8	-65.7	179	0	0	0	114.8	F46 V48 F50 F95 E106 H107	F46-L104 HydrophobicContact CE2-CD2 3.94Å; F46-L104 HydrophobicContact CZ-CD2 4.11Å; V48-L104 HydrophobicContact CG1-CD1 4.36Å; V48-L104 HydrophobicContact CG2-CD1 4.47Å; V48-L104 HydrophobicContact CG2-CD2 3.77Å; F50-L104 HydrophobicContact CE1-CD1 4.32Å; F50-L104 HydrophobicContact CZ-CD1 3.63Å; F95-L104 HydrophobicContact CD2-CD2 4.39Å; F95-L104 HydrophobicContact CE1-CB 4.48Å; F95-L104 HydrophobicContact CE2-CD2 4.28Å; F95-L104 HydrophobicContact CZ-CB 4.47Å; F95-L104 HydrophobicContact CZ-CD1 4.46Å; L104-E106 PolarHBondContact O-N 2.77Å; L104-H107 PolarHBondContact O-N 2.72Å
105	Y	83.9	Confident	87.3	Confident	177 Å²	177	58.8 Å²	58.8	69%	0.694	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-70.9	-11.4	178.9	69.1	-99.1	0	0	0	112.9	Q103	Q103-Y105 VanDerWaalsContact C-N 3.28Å; Q103-Y105 HydrophobicContact CB-CD1 3.83Å; Q103-Y105 HydrophobicContact CB-CE1 3.38Å; Q103-Y105 HydrophobicContact CG-CE1 3.83Å; Q103-Y105 PolarHBondContact O-N 3.35Å
106	E	85.1	Confident	87.3	Confident	86 Å²	86	58.8 Å²	58.8	40%	0.402	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-91.1	-4.4	178.5	-57.6	-175.9	167.9	0	0	112.4	A101 Q103 L104	A101-E106 HydrophobicContact CB-CB 3.74Å; A101-E106 HydrophobicContact CB-CG 4.46Å; A101-E106 WeakPolarHBondContact CB-OE2 3.22Å; Q103-E106 HydrophobicContact CB-CG 4.15Å; Q103-E106 WeakPolarHBondContact O-CB 3.13Å; Q103-E106 PolarHBondContact O-N 2.84Å; L104-E106 PolarHBondContact O-N 2.77Å
107	H	88.7	Confident	87.4	Confident	13 Å²	13	58.8 Å²	58.8	6%	0.06	30%	0.297	C	S	.	.	S	Bend	trans	-110.5	144.6	-178.7	-59.5	-54.9	0	0	0	111.4	F46 F95 D96 D98 A101 Q103 L104 F109	F46-H107 HydrophobicContact CE1-CB 4.34Å; F46-H107 AromaticContact CE1-CD2 3.99Å; F46-H107 AromaticContact CE1-CG 4Å; F46-H107 HydrophobicContact CZ-CB 4.31Å; F46-H107 AromaticContact CZ-CD2 3.54Å; F46-H107 AromaticContact CZ-CG 3.94Å; F95-H107 HydrophobicContact CB-CB 4.11Å; F95-H107 HydrophobicContact CD1-CB 4.23Å; D96-H107 VanDerWaalsContact O-CB 3.29Å; D96-H107 WeakPolarHBondContact O-CB 3.3Å; D98-H107 PolarHBondContact N-ND1 2.9Å; A101-H107 PolarHBondContact O-CE1 3.33Å; A101-H107 PolarHBondContact O-NE2 3Å; Q103-H107 PolarHBondContact O-CD2 3.42Å; L104-H107 PolarHBondContact O-N 2.72Å; H107-F109 PolarHBondContact O-N 2.71Å
108	D	90.9	Very high	87.6	Confident	67 Å²	67	56 Å²	56	36%	0.358	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	126	-179.9	-98.7	-3.2	0	0	0	112.2	R37 F95 D96 D98 L110	R37-D108 HydrophobicContact CB-CB 4.48Å; R37-D108 HydrophobicContact CG-CB 4.29Å; F95-D108 CarbonylContact C-O 3.56Å; F95-D108 VanDerWaalsContact CA-O 3.29Å; F95-D108 WeakPolarHBondContact CA-O 3.43Å; D96-D108 HydrophobicContact CB-CB 3.91Å; D96-D108 PolarHBondContact N-O 2.77Å; D96-D108 PolarHBondContact O-N 2.86Å; D98-D108 WeakPolarHBondContact OD2-CB 3.16Å; D98-D108 PolarHBondContact OD2-N 2.78Å; D108-L110 PolarHBondContact O-N 3.09Å
109	F	94.6	Very high	88.5	Confident	42 Å²	42	54.6 Å²	54.6	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	122.5	-179.5	-177.3	-112.2	0	0	0	112.1	A93 F95 H107 E112 L132 A133	A93-F109 HydrophobicContact CB-CE2 4.14Å; F95-F109 HydrophobicContact CD1-CB 4.42Å; F95-F109 HydrophobicContact CD1-CD2 4.15Å; F95-F109 HydrophobicContact CE1-CB 4.36Å; F95-F109 AromaticContact CE1-CD2 3.74Å; F95-F109 HydrophobicContact CE1-CD2 3.74Å; F95-F109 AromaticContact CZ-CD2 3.96Å; F95-F109 HydrophobicContact CZ-CD2 3.96Å; F95-F109 HydrophobicContact CZ-CE2 4.42Å; H107-F109 PolarHBondContact O-N 2.71Å; F109-E112 HydrophobicContact CE2-CB 4.23Å; F109-E112 HydrophobicContact CZ-CB 3.75Å; F109-E112 HydrophobicContact CZ-CG 3.93Å; F109-L132 HydrophobicContact CD1-CD2 4.47Å; F109-A133 HydrophobicContact CE1-CB 4.29Å
110	L	95.4	Very high	89.8	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	-23.6	-177.6	-60.8	179.7	0	0	0	113	L34 L35 R37 P45 M94 D96 D108 A138	L34-L110 HydrophobicContact CD1-CD1 4.27Å; L35-L110 HydrophobicContact CB-CD2 4.13Å; R37-L110 HydrophobicContact CG-CD2 3.63Å; P45-L110 HydrophobicContact CB-CD1 3.86Å; M94-L110 HydrophobicContact CB-CB 3.94Å; M94-L110 PolarHBondContact O-N 3.38Å; D96-L110 HydrophobicContact CB-CD1 4.04Å; D96-L110 HydrophobicContact CB-CD2 4.02Å; D96-L110 HydrophobicContact CB-CG 4.06Å; D108-L110 PolarHBondContact O-N 3.09Å; L110-A138 VanDerWaalsContact O-CB 3.3Å; L110-A138 WeakPolarHBondContact O-CB 3.22Å
111	G	97.3	Very high	91.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.2	170.7	176.3	0	0	0	0	0	112.8	M94 I131	M94-G111 PolarHBondContact N-O 2.79Å; M94-G111 PolarHBondContact O-N 2.9Å; G111-I131 CarbonylContact C-O 3.52Å; G111-I131 WeakPolarHBondContact CA-O 3.35Å
112	E	98	Very high	92.1	Very high	22 Å²	22	39.3 Å²	39.3	10%	0.103	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	164.6	179.8	65.8	-172	-153.8	0	0	113.4	R91 F92 A93 F109 L130 I131	R91-E112 IonicContact CZ-OE2 2.64Å; R91-E112 IonicContact NE-OE2 3.56Å; R91-E112 PolarHBondContact NE-OE2 2.9Å; R91-E112 IonicContact NH2-OE2 2.74Å; R91-E112 PolarHBondContact NH2-OE2 3.36Å; F92-E112 CarbonylContact O-C 3.59Å; F92-E112 WeakPolarHBondContact O-CA 3.46Å; A93-E112 HydrophobicContact CB-CB 4.47Å; F109-E112 HydrophobicContact CE2-CB 4.23Å; F109-E112 HydrophobicContact CZ-CB 3.75Å; F109-E112 HydrophobicContact CZ-CG 3.93Å; E112-L130 VanDerWaalsContact C-CD2 3.43Å; E112-L130 WeakPolarHBondContact O-CA 3.32Å; E112-I131 HydrophobicContact CG-CD1 4.5Å; E112-I131 HydrophobicContact CG-CG1 3.87Å; E112-I131 PolarHBondContact N-O 3.05Å; E112-I131 WeakPolarHBondContact O-CG1 3.29Å; E112-I131 PolarHBondContact O-N 2.84Å
113	F	98.1	Very high	92.7	Very high	27 Å²	27	37.4 Å²	37.4	12%	0.118	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	131.3	166.4	172.7	-115.3	0	0	0	109.4	F92 C115 L126 R128 L130 V143 I145	F92-F113 HydrophobicContact CD2-CD1 4.32Å; F92-F113 PolarHBondContact N-O 3.43Å; F92-F113 PolarHBondContact O-N 2.8Å; F113-C115 HydrophobicContact CE1-CB 3.67Å; F113-C115 WeakPolarHBondContact CE1-SG 3.21Å; F113-C115 HydrophobicContact CE2-CB 4.38Å; F113-C115 HydrophobicContact CZ-CB 3.5Å; F113-L126 HydrophobicContact CE1-CD2 3.64Å; F113-L126 HydrophobicContact CE1-CG 4.49Å; F113-L126 HydrophobicContact CZ-CD2 3.86Å; F113-R128 HydrophobicContact CD1-CB 4.31Å; F113-R128 HydrophobicContact CD2-CB 3.74Å; F113-R128 HydrophobicContact CD2-CG 4.25Å; F113-R128 HydrophobicContact CE1-CB 4.18Å; F113-R128 HydrophobicContact CE1-CG 4.06Å; F113-R128 HydrophobicContact CE2-CB 3.62Å; F113-R128 HydrophobicContact CE2-CG 3.6Å; F113-R128 HydrophobicContact CG-CB 4.11Å; F113-R128 HydrophobicContact CZ-CB 3.86Å; F113-R128 HydrophobicContact CZ-CG 3.49Å; F113-R128 VanDerWaalsContact CZ-CG 3.49Å; F113-L130 HydrophobicContact CB-CD2 4.09Å; F113-V143 HydrophobicContact CB-CG1 3.65Å; F113-V143 HydrophobicContact CD1-CG1 3.93Å; F113-V143 HydrophobicContact CG-CG1 3.98Å; F113-I145 HydrophobicContact CD1-CD1 3.74Å; F113-I145 HydrophobicContact CE1-CD1 3.88Å
114	I	97.4	Very high	92.6	Very high	74 Å²	74	36.3 Å²	36.3	38%	0.379	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	131.6	179.2	-58.1	176.8	0	0	0	108.7	W57 L90 R91	W57-I114 HydrophobicContact CH2-CG2 3.87Å; W57-I114 HydrophobicContact CZ2-CD1 4.09Å; W57-I114 HydrophobicContact CZ2-CG2 4.27Å; L90-I114 WeakPolarHBondContact O-CA 3.45Å; R91-I114 HydrophobicContact CB-CG1 3.95Å; R91-I114 HydrophobicContact CG-CD1 4.34Å; R91-I114 HydrophobicContact CG-CG1 3.86Å
115	C	96.4	Very high	92.9	Very high	16 Å²	16	41.4 Å²	41.4	11%	0.108	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	178.1	175	63.2	0	0	0	0	110.6	K89 L90 F113	K89-C115 CarbonylContact C-O 3.55Å; K89-C115 WeakPolarHBondContact CA-O 3.49Å; L90-C115 PolarHBondContact N-O 2.82Å; L90-C115 PolarHBondContact O-N 2.79Å; L90-C115 VanDerWaalsContact O-O 3.08Å; F113-C115 HydrophobicContact CE1-CB 3.67Å; F113-C115 WeakPolarHBondContact CE1-SG 3.21Å; F113-C115 HydrophobicContact CE2-CB 4.38Å; F113-C115 HydrophobicContact CZ-CB 3.5Å
116	T	96	Very high	93.4	Very high	19 Å²	19	33 Å²	33	12%	0.117	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	154.3	169.4	59.5	0	0	0	0	110.4	I87 Q88 K89 G118 V119 I120 D350	I87-T116 HydrophobicContact CG2-CG2 3.79Å; Q88-T116 CarbonylContact O-C 3.59Å; Q88-T116 VanDerWaalsContact O-CA 3.28Å; Q88-T116 WeakPolarHBondContact O-CA 3.48Å; K89-T116 HydrophobicContact CG-CG2 4.22Å; T116-G118 PolarHBondContact O-N 2.95Å; T116-V119 PolarHBondContact O-N 3.32Å; T116-V119 WeakPolarHBondContact OG1-CG2 3.43Å; T116-V119 PolarHBondContact OG1-N 2.95Å; T116-I120 PolarHBondContact O-N 2.94Å; T116-D350 VanDerWaalsContact CB-OD2 3.32Å; T116-D350 WeakPolarHBondContact CB-OD2 3.33Å; T116-D350 VanDerWaalsContact OG1-CG 3.31Å; T116-D350 PolarHBondContact OG1-OD2 3.16Å
117	L	95.8	Very high	94	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-58.3	-36.2	171.7	-176.8	55.9	0	0	0	111.5	L27 V80 Y82 Q88 L90 V119 I120 V121	L27-L117 HydrophobicContact CD1-CD1 4.29Å; L27-L117 HydrophobicContact CD2-CD1 4.2Å; V80-L117 HydrophobicContact CB-CD2 4.33Å; V80-L117 HydrophobicContact CG1-CD2 3.9Å; Y82-L117 HydrophobicContact CD2-CD2 3.87Å; Y82-L117 HydrophobicContact CD2-CG 4.07Å; Y82-L117 HydrophobicContact CG-CD2 4.48Å; Q88-L117 HydrophobicContact CB-CB 4.02Å; Q88-L117 PolarHBondContact O-N 2.93Å; L90-L117 HydrophobicContact CD1-CB 4.08Å; L90-L117 HydrophobicContact CD1-CD1 4.04Å; L117-V119 PolarHBondContact O-N 3.26Å; L117-I120 HydrophobicContact CD1-CD1 4.34Å; L117-I120 WeakPolarHBondContact O-CB 3.41Å; L117-I120 PolarHBondContact O-N 2.85Å; L117-V121 HydrophobicContact CD1-CG1 4.17Å; L117-V121 HydrophobicContact CG-CG1 4.42Å; L117-V121 PolarHBondContact O-N 3.17Å
118	G	94.6	Very high	94.4	Very high	5 Å²	5	37.9 Å²	37.9	5%	0.052	18%	0.183	C	C	.	.	H	α-helix	trans	-51.8	-47.8	173.4	0	0	0	0	0	113.3	T116 I120 V121 S122	T116-G118 PolarHBondContact O-N 2.95Å; G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 2.98Å; G118-V121 VanDerWaalsContact O-CG2 3.28Å; G118-V121 WeakPolarHBondContact O-CG2 3.46Å; G118-V121 PolarHBondContact O-N 3Å; G118-S122 WeakPolarHBondContact O-CB 3.24Å; G118-S122 PolarHBondContact O-N 3.46Å; G118-S122 PolarHBondContact O-OG 2.8Å
119	V	94.7	Very high	94.7	Very high	26 Å²	26	38.9 Å²	38.9	16%	0.158	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-36.6	177.2	169.9	0	0	0	0	112	T116 L117 S122 N123 L126 D350	T116-V119 PolarHBondContact O-N 3.32Å; T116-V119 WeakPolarHBondContact OG1-CG2 3.43Å; T116-V119 PolarHBondContact OG1-N 2.95Å; L117-V119 PolarHBondContact O-N 3.26Å; V119-S122 PolarHBondContact O-OG 2.83Å; V119-N123 PolarHBondContact O-N 3.25Å; V119-N123 PolarHBondContact O-ND2 2.97Å; V119-L126 HydrophobicContact CG1-CD1 4.17Å; V119-L126 HydrophobicContact CG1-CD2 3.98Å; V119-D350 HydrophobicContact CG2-CB 3.98Å; V119-D350 WeakPolarHBondContact CG2-OD1 3.45Å
120	I	95.4	Very high	94.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-68	-49.6	-179.5	-55.4	170.2	0	0	0	109.7	L27 L90 F92 T116 L117 G118 S122 N123 K124 L126 I145 A147	L27-I120 HydrophobicContact CD1-CD1 4.37Å; L27-I120 HydrophobicContact CD2-CG2 4Å; L90-I120 HydrophobicContact CD1-CD1 3.86Å; F92-I120 HydrophobicContact CE2-CD1 3.85Å; F92-I120 HydrophobicContact CZ-CD1 3.81Å; T116-I120 PolarHBondContact O-N 2.94Å; L117-I120 HydrophobicContact CD1-CD1 4.34Å; L117-I120 WeakPolarHBondContact O-CB 3.41Å; L117-I120 PolarHBondContact O-N 2.85Å; G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 2.98Å; I120-S122 VanDerWaalsContact C-N 3.35Å; I120-S122 PolarHBondContact O-N 3.01Å; I120-N123 PolarHBondContact O-N 2.9Å; I120-K124 PolarHBondContact O-N 2.93Å; I120-L126 HydrophobicContact CG1-CD2 4.1Å; I120-I145 HydrophobicContact CD1-CG2 4.23Å; I120-I145 HydrophobicContact CG2-CB 4.41Å; I120-I145 HydrophobicContact CG2-CG2 3.63Å; I120-A147 HydrophobicContact CG2-CB 3.88Å
121	V	94.2	Very high	95	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-68.8	-32.3	-176.8	-60.2	0	0	0	0	112.5	V25 Y82 L117 G118 N123 A147 L296 I299 L300 Y351	V25-V121 HydrophobicContact CG1-CG1 4.23Å; V25-V121 HydrophobicContact CG2-CG1 4.34Å; Y82-V121 HydrophobicContact CE2-CG2 4.03Å; L117-V121 HydrophobicContact CD1-CG1 4.17Å; L117-V121 HydrophobicContact CG-CG1 4.42Å; L117-V121 PolarHBondContact O-N 3.17Å; G118-V121 VanDerWaalsContact O-CG2 3.28Å; G118-V121 WeakPolarHBondContact O-CG2 3.46Å; G118-V121 PolarHBondContact O-N 3Å; V121-N123 VanDerWaalsContact C-N 3.3Å; V121-N123 PolarHBondContact O-N 2.82Å; V121-A147 HydrophobicContact CG1-CB 4.28Å; V121-L296 HydrophobicContact CB-CD1 3.77Å; V121-L296 HydrophobicContact CG1-CD1 4.01Å; V121-L296 HydrophobicContact CG2-CD1 3.97Å; V121-I299 HydrophobicContact CB-CG2 4.5Å; V121-I299 HydrophobicContact CG2-CG2 4.1Å; V121-L300 HydrophobicContact CB-CD2 4.1Å; V121-L300 HydrophobicContact CG1-CD2 4.46Å; V121-L300 WeakPolarHBondContact O-CD2 3.35Å; V121-Y351 HydrophobicContact CG2-CE1 4.08Å
122	S	92.6	Very high	94.9	Very high	20 Å²	20	41.7 Å²	41.7	14%	0.14	21%	0.208	C	C	.	.	H	α-helix	trans	-72.8	-20.8	177.3	66.7	0	0	0	0	114	G118 V119 I120 D350	G118-S122 WeakPolarHBondContact O-CB 3.24Å; G118-S122 PolarHBondContact O-N 3.46Å; G118-S122 PolarHBondContact O-OG 2.8Å; V119-S122 PolarHBondContact O-OG 2.83Å; I120-S122 VanDerWaalsContact C-N 3.35Å; I120-S122 PolarHBondContact O-N 3.01Å; S122-D350 WeakPolarHBondContact CB-O 3.48Å; S122-D350 PolarHBondContact OG-O 2.96Å
123	N	88.6	Confident	94.6	Very high	63 Å²	63	44.8 Å²	44.8	34%	0.337	24%	0.238	S	C	.	.	H	α-helix	trans	-99.7	-11.7	-179.6	-76.2	-102.2	0	0	0	113.1	V119 I120 V121 K125 L126	V119-N123 PolarHBondContact O-N 3.25Å; V119-N123 PolarHBondContact O-ND2 2.97Å; I120-N123 PolarHBondContact O-N 2.9Å; V121-N123 VanDerWaalsContact C-N 3.3Å; V121-N123 PolarHBondContact O-N 2.82Å; N123-K125 PolarHBondContact O-N 3.41Å; N123-L126 HydrophobicContact CB-CD1 4.2Å
124	K	82	Confident	94.2	Very high	73 Å²	73	48.5 Å²	48.5	32%	0.317	26%	0.259	S	S	.	.	S	Bend	trans	58.8	-49.4	-170.1	-170.3	178.4	-168.7	161.9	0	114.3	I120 T146 A147 L300 N543	I120-K124 PolarHBondContact O-N 2.93Å; K124-T146 WeakPolarHBondContact O-CA 3.39Å; K124-A147 PolarHBondContact O-N 3.13Å; K124-L300 WeakPolarHBondContact CD-O 3.44Å; K124-N543 PolarHBondContact NZ-O 3.13Å
125	K	91.8	Very high	94	Very high	139 Å²	139	47.5 Å²	47.5	60%	0.604	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	113.2	175.8	-177.1	177	-176.9	177.8	0	110.1	N123 T144 I145	N123-K125 PolarHBondContact O-N 3.41Å; K125-T144 HydrophobicContact CD-CG2 4.31Å; K125-T144 VanDerWaalsContact CE-CG2 3.47Å; K125-T144 HydrophobicContact CG-CG2 3.83Å; K125-I145 CarbonylContact C-O 3.52Å; K125-I145 WeakPolarHBondContact CA-O 3.48Å
126	L	94.3	Very high	93.9	Very high	1 Å²	1	53.2 Å²	53.2	1%	0.005	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.7	-175.2	-174.3	68.7	0	0	0	110.5	F113 V119 I120 N123 R128 T144 I145	F113-L126 HydrophobicContact CE1-CD2 3.64Å; F113-L126 HydrophobicContact CE1-CG 4.49Å; F113-L126 HydrophobicContact CZ-CD2 3.86Å; V119-L126 HydrophobicContact CG1-CD1 4.17Å; V119-L126 HydrophobicContact CG1-CD2 3.98Å; I120-L126 HydrophobicContact CG1-CD2 4.1Å; N123-L126 HydrophobicContact CB-CD1 4.2Å; L126-R128 HydrophobicContact CD1-CG 4.14Å; L126-R128 VanDerWaalsContact CD1-NH2 3.32Å; L126-R128 HydrophobicContact CD2-CG 4.46Å; L126-R128 HydrophobicContact CG-CG 3.96Å; L126-T144 CarbonylContact O-C 3.51Å; L126-T144 VanDerWaalsContact O-CA 3.28Å; L126-T144 WeakPolarHBondContact O-CA 3.36Å; L126-I145 PolarHBondContact N-O 3.4Å; L126-I145 PolarHBondContact O-N 3.42Å
127	H	96.7	Very high	93.9	Very high	104 Å²	104	57 Å²	57	48%	0.481	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	122.8	173.3	175.3	-78.4	0	0	0	110.4	S142 V143 T144	H127-S142 PolarHBondContact NE2-OG 3.06Å; H127-V143 WeakPolarHBondContact CA-O 3.24Å; H127-T144 PolarHBondContact CD2-OG1 2.86Å; H127-T144 VanDerWaalsContact CD2-OG1 3.27Å
128	R	97.4	Very high	93.9	Very high	97 Å²	97	57 Å²	57	37%	0.366	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	146.3	-175.8	-68.7	-68.4	-175.5	-87.4	1.6	112.5	F113 L126 S142 V143	F113-R128 HydrophobicContact CD1-CB 4.31Å; F113-R128 HydrophobicContact CD2-CB 3.74Å; F113-R128 HydrophobicContact CD2-CG 4.25Å; F113-R128 HydrophobicContact CE1-CB 4.18Å; F113-R128 HydrophobicContact CE1-CG 4.06Å; F113-R128 HydrophobicContact CE2-CB 3.62Å; F113-R128 HydrophobicContact CE2-CG 3.6Å; F113-R128 HydrophobicContact CG-CB 4.11Å; F113-R128 HydrophobicContact CZ-CB 3.86Å; F113-R128 HydrophobicContact CZ-CG 3.49Å; F113-R128 VanDerWaalsContact CZ-CG 3.49Å; L126-R128 HydrophobicContact CD1-CG 4.14Å; L126-R128 VanDerWaalsContact CD1-NH2 3.32Å; L126-R128 HydrophobicContact CD2-CG 4.46Å; L126-R128 HydrophobicContact CG-CG 3.96Å; R128-S142 CarbonylContact O-C 3.55Å; R128-S142 VanDerWaalsContact O-CA 3.28Å; R128-S142 WeakPolarHBondContact O-CA 3.44Å; R128-S142 WeakPolarHBondContact O-CB 3.32Å; R128-V143 PolarHBondContact N-O 2.79Å; R128-V143 PolarHBondContact O-N 2.92Å
129	P	97.7	Very high	93.8	Very high	87 Å²	87	59.2 Å²	59.2	57%	0.565	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.4	149.5	173.8	30.7	-34.7	0	0	0	110.8
130	L	97.9	Very high	93.8	Very high	1 Å²	1	66.5 Å²	66.5	1%	0.005	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	147.7	173.1	-68	168.8	0	0	0	110.7	L34 M94 E112 F113 A138 G141 V143	L34-L130 HydrophobicContact CD2-CD1 3.42Å; L34-L130 VanDerWaalsContact CD2-CD1 3.42Å; M94-L130 HydrophobicContact CG-CD1 3.93Å; M94-L130 HydrophobicContact CG-CD2 4.36Å; E112-L130 VanDerWaalsContact C-CD2 3.43Å; E112-L130 WeakPolarHBondContact O-CA 3.32Å; F113-L130 HydrophobicContact CB-CD2 4.09Å; L130-A138 HydrophobicContact CB-CB 3.89Å; L130-A138 WeakPolarHBondContact O-CB 3.16Å; L130-A138 PolarHBondContact O-N 3.34Å; L130-G141 PolarHBondContact N-O 3.44Å; L130-V143 HydrophobicContact CD2-CB 4.02Å; L130-V143 HydrophobicContact CD2-CG1 3.93Å; L130-V143 HydrophobicContact CG-CB 4.44Å
131	I	97.5	Very high	93.9	Very high	67 Å²	67	66.6 Å²	66.6	34%	0.344	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	149.4	174.7	60.7	170.8	0	0	0	111	G111 E112 K136	G111-I131 CarbonylContact C-O 3.52Å; G111-I131 WeakPolarHBondContact CA-O 3.35Å; E112-I131 HydrophobicContact CG-CD1 4.5Å; E112-I131 HydrophobicContact CG-CG1 3.87Å; E112-I131 PolarHBondContact N-O 3.05Å; E112-I131 WeakPolarHBondContact O-CG1 3.29Å; E112-I131 PolarHBondContact O-N 2.84Å; I131-K136 CarbonylContact C-O 3.59Å; I131-K136 WeakPolarHBondContact CA-O 3.32Å
132	L	95.7	Very high	94.1	Very high	34 Å²	34	67 Å²	67	18%	0.178	37%	0.372	C	S	.	.			trans	-82.9	166.2	172.5	-63.7	176.1	0	0	0	110.5	L35 F109 N134 G135 K136 A138	L35-L132 HydrophobicContact CD1-CD2 3.92Å; F109-L132 HydrophobicContact CD1-CD2 4.47Å; L132-N134 WeakPolarHBondContact CB-OD1 3.37Å; L132-N134 PolarHBondContact O-N 2.64Å; L132-G135 WeakPolarHBondContact O-CA 3.16Å; L132-G135 PolarHBondContact O-N 3.17Å; L132-K136 PolarHBondContact N-O 3.44Å; L132-A138 HydrophobicContact CD2-CB 3.81Å; L132-A138 HydrophobicContact CG-CB 3.96Å
133	A	90.9	Very high	94.4	Very high	88 Å²	88	66 Å²	66	73%	0.727	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-19.7	179.6	0	0	0	0	0	114	F109 G135	F109-A133 HydrophobicContact CE1-CB 4.29Å; A133-G135 VanDerWaalsContact C-N 3.32Å
134	N	91.4	Very high	94.8	Very high	105 Å²	105	63.7 Å²	63.7	56%	0.561	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	9.6	174.7	66.1	9.4	0	0	0	113.7	L132 K136	L132-N134 WeakPolarHBondContact CB-OD1 3.37Å; L132-N134 PolarHBondContact O-N 2.64Å; N134-K136 PolarHBondContact O-N 2.7Å; N134-K136 VanDerWaalsContact OD1-CB 3.26Å; N134-K136 WeakPolarHBondContact OD1-CB 3.26Å; N134-K136 WeakPolarHBondContact OD1-CG 3.45Å; N134-K136 PolarHBondContact OD1-N 3.04Å
135	G	92.3	Very high	95.6	Very high	53 Å²	53	60.2 Å²	60.2	55%	0.546	34%	0.338	S	S	.	.	S	Bend	trans	75.9	-1	-178.9	0	0	0	0	0	115.3	L132 A133	L132-G135 WeakPolarHBondContact O-CA 3.16Å; L132-G135 PolarHBondContact O-N 3.17Å; A133-G135 VanDerWaalsContact C-N 3.32Å
136	K	94.9	Very high	95.8	Very high	136 Å²	136	56 Å²	56	59%	0.591	32%	0.324	S	S	*	.	S	Bend	trans	-78.8	153	177.2	-63.7	-176.6	180	179.1	0	110.9	I131 L132 N134 A138	I131-K136 CarbonylContact C-O 3.59Å; I131-K136 WeakPolarHBondContact CA-O 3.32Å; L132-K136 PolarHBondContact N-O 3.44Å; N134-K136 PolarHBondContact O-N 2.7Å; N134-K136 VanDerWaalsContact OD1-CB 3.26Å; N134-K136 WeakPolarHBondContact OD1-CB 3.26Å; N134-K136 WeakPolarHBondContact OD1-CG 3.45Å; N134-K136 PolarHBondContact OD1-N 3.04Å; K136-A138 PolarHBondContact O-N 3.11Å
137	P	96	Very high	95.8	Very high	97 Å²	97	56.3 Å²	56.3	63%	0.63	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55	135.5	171.7	-24.9	34.2	0	0	0	111.9	G139	P137-G139 PolarHBondContact O-N 3.03Å
138	A	95	Very high	95.5	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	61.1	174	0	0	0	0	0	111.1	L35 L110 L130 L132 K136 K140 G141	L35-A138 HydrophobicContact CD1-CB 4.3Å; L110-A138 VanDerWaalsContact O-CB 3.3Å; L110-A138 WeakPolarHBondContact O-CB 3.22Å; L130-A138 HydrophobicContact CB-CB 3.89Å; L130-A138 WeakPolarHBondContact O-CB 3.16Å; L130-A138 PolarHBondContact O-N 3.34Å; L132-A138 HydrophobicContact CD2-CB 3.81Å; L132-A138 HydrophobicContact CG-CB 3.96Å; K136-A138 PolarHBondContact O-N 3.11Å; A138-K140 PolarHBondContact O-N 3.16Å; A138-G141 PolarHBondContact O-N 2.86Å
139	G	93.5	Very high	95.1	Very high	53 Å²	53	52.8 Å²	52.8	55%	0.546	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	62.5	-125.3	-173.8	0	0	0	0	0	111.8	P137	P137-G139 PolarHBondContact O-N 3.03Å
140	K	95.1	Very high	94.5	Very high	178 Å²	178	51.7 Å²	51.7	77%	0.774	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	8.8	172.6	-63.9	-178.5	-178.4	177.4	0	112.4	N33 A138	N33-K140 HydrophobicContact CB-CB 3.94Å; N33-K140 CarbonylContact O-C 3.52Å; A138-K140 PolarHBondContact O-N 3.16Å
141	G	97.1	Very high	93.6	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.031	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	134.8	-178.2	0	0	0	0	0	111.4	S32 N33 L130 A138	S32-G141 CarbonylContact O-C 3.53Å; S32-G141 WeakPolarHBondContact O-CA 3.26Å; N33-G141 WeakPolarHBondContact O-CA 3.45Å; N33-G141 PolarHBondContact O-N 2.78Å; N33-G141 VanDerWaalsContact O-N 3.13Å; L130-G141 PolarHBondContact N-O 3.44Å; A138-G141 PolarHBondContact O-N 2.86Å
142	S	98	Very high	92.8	Very high	8 Å²	8	53.1 Å²	53.1	6%	0.056	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	154.4	179.4	52.9	0	0	0	0	110.5	A31 S32 H127 R128	A31-S142 CarbonylContact C-O 3.39Å; A31-S142 VanDerWaalsContact CA-O 3.22Å; A31-S142 WeakPolarHBondContact CA-O 3.46Å; A31-S142 WeakPolarHBondContact CB-O 3.35Å; S32-S142 PolarHBondContact N-O 3.09Å; S32-S142 PolarHBondContact O-N 2.97Å; S32-S142 PolarHBondContact O-OG 3.01Å; H127-S142 PolarHBondContact NE2-OG 3.06Å; R128-S142 CarbonylContact O-C 3.55Å; R128-S142 VanDerWaalsContact O-CA 3.28Å; R128-S142 WeakPolarHBondContact O-CA 3.44Å; R128-S142 WeakPolarHBondContact O-CB 3.32Å
143	V	98.3	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	140.9	174.5	65.2	0	0	0	0	109.2	V29 T30 M94 F113 H127 R128 L130 I145	V29-V143 HydrophobicContact CG1-CG2 3.65Å; T30-V143 CarbonylContact O-C 3.44Å; T30-V143 WeakPolarHBondContact O-CA 3.32Å; M94-V143 HydrophobicContact CE-CB 4.29Å; M94-V143 HydrophobicContact CE-CG2 3.65Å; F113-V143 HydrophobicContact CB-CG1 3.65Å; F113-V143 HydrophobicContact CD1-CG1 3.93Å; F113-V143 HydrophobicContact CG-CG1 3.98Å; H127-V143 WeakPolarHBondContact CA-O 3.24Å; R128-V143 PolarHBondContact N-O 2.79Å; R128-V143 PolarHBondContact O-N 2.92Å; L130-V143 HydrophobicContact CD2-CB 4.02Å; L130-V143 HydrophobicContact CD2-CG1 3.93Å; L130-V143 HydrophobicContact CG-CB 4.44Å; V143-I145 HydrophobicContact CG1-CD1 4.49Å; V143-I145 HydrophobicContact CG2-CG1 4.12Å
144	T	98.4	Very high	92.2	Very high	13 Å²	13	52.1 Å²	52.1	8%	0.08	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	125.6	169	-56.7	0	0	0	0	108.8	V29 T30 K125 L126 H127	V29-T144 WeakPolarHBondContact CA-O 3.5Å; T30-T144 PolarHBondContact N-O 2.81Å; T30-T144 PolarHBondContact O-N 2.82Å; T30-T144 WeakPolarHBondContact OG1-CB 3.3Å; K125-T144 HydrophobicContact CD-CG2 4.31Å; K125-T144 VanDerWaalsContact CE-CG2 3.47Å; K125-T144 HydrophobicContact CG-CG2 3.83Å; L126-T144 CarbonylContact O-C 3.51Å; L126-T144 VanDerWaalsContact O-CA 3.28Å; L126-T144 WeakPolarHBondContact O-CA 3.36Å; H127-T144 PolarHBondContact CD2-OG1 2.86Å; H127-T144 VanDerWaalsContact CD2-OG1 3.27Å
145	I	98	Very high	92.2	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.3	178	-57.1	149.2	0	0	0	107.6	L27 S28 F92 F113 I120 K125 L126 V143	L27-I145 HydrophobicContact CB-CG2 4.47Å; L27-I145 HydrophobicContact CD2-CG2 4.41Å; S28-I145 CarbonylContact O-C 3.16Å; S28-I145 VanDerWaalsContact O-CA 3.32Å; S28-I145 WeakPolarHBondContact O-CA 3.28Å; F92-I145 HydrophobicContact CD1-CD1 4.07Å; F92-I145 HydrophobicContact CD1-CG1 4.12Å; F92-I145 HydrophobicContact CD2-CD1 3.59Å; F92-I145 HydrophobicContact CE1-CD1 3.94Å; F92-I145 HydrophobicContact CE1-CG1 3.89Å; F92-I145 HydrophobicContact CE1-CG2 4.2Å; F92-I145 HydrophobicContact CE2-CD1 3.47Å; F92-I145 VanDerWaalsContact CE2-CD1 3.47Å; F92-I145 HydrophobicContact CE2-CG1 4.32Å; F92-I145 HydrophobicContact CG-CD1 3.91Å; F92-I145 HydrophobicContact CG-CG1 4.42Å; F92-I145 HydrophobicContact CZ-CD1 3.64Å; F92-I145 HydrophobicContact CZ-CG1 4Å; F92-I145 HydrophobicContact CZ-CG2 4.02Å; F113-I145 HydrophobicContact CD1-CD1 3.74Å; F113-I145 HydrophobicContact CE1-CD1 3.88Å; I120-I145 HydrophobicContact CD1-CG2 4.23Å; I120-I145 HydrophobicContact CG2-CB 4.41Å; I120-I145 HydrophobicContact CG2-CG2 3.63Å; K125-I145 CarbonylContact C-O 3.52Å; K125-I145 WeakPolarHBondContact CA-O 3.48Å; L126-I145 PolarHBondContact N-O 3.4Å; L126-I145 PolarHBondContact O-N 3.42Å; V143-I145 HydrophobicContact CG1-CD1 4.49Å; V143-I145 HydrophobicContact CG2-CG1 4.12Å
146	T	95.7	Very high	92.4	Very high	52 Å²	52	46.3 Å²	46.3	32%	0.319	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	132	174.1	-52.8	0	0	0	0	109	L27 S28 K124	L27-T146 WeakPolarHBondContact CA-O 3.28Å; S28-T146 PolarHBondContact N-O 3.02Å; S28-T146 PolarHBondContact O-N 3.31Å; K124-T146 WeakPolarHBondContact O-CA 3.39Å
147	A	94.1	Very high	92.4	Very high	6 Å²	6	41.6 Å²	41.6	5%	0.05	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	144.4	179.4	0	0	0	0	0	112	V25 E26 L27 I120 V121 K124 L300	V25-A147 HydrophobicContact CG1-CB 3.89Å; E26-A147 WeakPolarHBondContact O-CA 3.29Å; L27-A147 HydrophobicContact CD2-CB 3.81Å; I120-A147 HydrophobicContact CG2-CB 3.88Å; V121-A147 HydrophobicContact CG1-CB 4.28Å; K124-A147 PolarHBondContact O-N 3.13Å; A147-L300 HydrophobicContact CB-CD2 3.9Å
148	Q	91.1	Very high	92.4	Very high	114 Å²	114	37 Å²	37	53%	0.533	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	140.7	170.3	178.2	171.9	-1	0	0	109.8	V25 E26	V25-Q148 CarbonylContact C-O 3.53Å; V25-Q148 WeakPolarHBondContact CA-O 3.37Å; E26-Q148 PolarHBondContact N-O 3.29Å; E26-Q148 PolarHBondContact O-N 3.24Å
149	E	89.5	Confident	92.5	Very high	14 Å²	14	38.7 Å²	38.7	7%	0.065	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	130.7	170.3	179.8	167.2	-166.9	0	0	110.7	T23 S151 T294 L296 D297 L300	T23-E149 HydrophobicContact CG2-CB 4.46Å; T23-E149 VanDerWaalsContact CG2-CD 3.47Å; T23-E149 HydrophobicContact CG2-CG 3.36Å; T23-E149 WeakPolarHBondContact CG2-OE1 3.38Å; E149-S151 WeakPolarHBondContact CG-OG 3.5Å; E149-S151 PolarHBondContact O-N 2.62Å; E149-S151 PolarHBondContact OE1-OG 3.3Å; E149-T294 VanDerWaalsContact CD-OG1 3.3Å; E149-T294 PolarHBondContact OE1-OG1 2.9Å; E149-T294 VanDerWaalsContact OE1-OG1 3.04Å; E149-T294 PolarHBondContact OE2-OG1 2.98Å; E149-L296 HydrophobicContact CB-CD2 3.95Å; E149-L296 HydrophobicContact CG-CD2 4.11Å; E149-L296 WeakPolarHBondContact OE2-CB 3.32Å; E149-D297 PolarHBondContact OE2-N 3.12Å; E149-L300 HydrophobicContact CB-CD1 3.91Å
150	L	83.8	Confident	92.7	Very high	63 Å²	63	36.4 Å²	36.4	33%	0.33	19%	0.188	S	C	.	.			trans	-94.6	76.4	174.7	-67.8	178.9	0	0	0	110.2	R24 E26 Q79	R24-L150 HydrophobicContact CB-CB 4.27Å; R24-L150 HydrophobicContact CG-CD1 4.29Å; R24-L150 WeakPolarHBondContact O-CB 2.81Å; R24-L150 PolarHBondContact O-N 2.61Å; E26-L150 HydrophobicContact CB-CD1 3.89Å; E26-L150 HydrophobicContact CB-CD2 3.82Å; E26-L150 HydrophobicContact CB-CG 3.75Å; Q79-L150 HydrophobicContact CG-CD1 3.81Å
151	S	78.7	Confident	92.9	Very high	56 Å²	56	28.3 Å²	28.3	39%	0.392	15%	0.154	S	C	.	.			trans	-148.8	149.2	172.5	65.1	0	0	0	0	111.9	E149 N153	E149-S151 WeakPolarHBondContact CG-OG 3.5Å; E149-S151 PolarHBondContact O-N 2.62Å; E149-S151 PolarHBondContact OE1-OG 3.3Å; S151-N153 VanDerWaalsContact CB-OD1 3.22Å; S151-N153 WeakPolarHBondContact CB-OD1 3.18Å; S151-N153 PolarHBondContact OG-ND2 2.92Å; S151-N153 PolarHBondContact OG-OD1 3.47Å
152	D	80.9	Confident	92.9	Very high	43 Å²	43	28.4 Å²	28.4	23%	0.23	15%	0.154	C	C	.	.			trans	-95.7	90.3	167.4	-174.6	-4.6	0	0	0	108.6	R154 G219	D152-R154 PolarHBondContact O-N 2.84Å; D152-R154 VanDerWaalsContact OD1-CB 3.28Å; D152-R154 WeakPolarHBondContact OD1-CB 3.33Å; D152-R154 WeakPolarHBondContact OD1-CG 3.22Å; D152-R154 IonicContact OD1-CZ 3.48Å; D152-R154 PolarHBondContact OD1-N 3.02Å; D152-R154 VanDerWaalsContact OD1-N 3.16Å; D152-R154 IonicContact OD1-NE 2.84Å; D152-R154 PolarHBondContact OD1-NE 3.35Å; D152-R154 IonicContact OD1-NH2 3.38Å; D152-R154 IonicContact OD2-CZ 2.87Å; D152-R154 IonicContact OD2-NE 3.18Å; D152-R154 PolarHBondContact OD2-NE 3.18Å; D152-R154 IonicContact OD2-NH2 3.44Å; D152-R154 PolarHBondContact OD2-NH2 2.72Å; D152-G219 WeakPolarHBondContact OD2-CA 3.33Å
153	N	84.6	Confident	92.9	Very high	28 Å²	28	32.3 Å²	32.3	15%	0.15	17%	0.168	C	C	.	.			trans	-84.4	13.6	-177.9	-63	-18.7	0	0	0	112.5	S151 D292 T294 D297	S151-N153 VanDerWaalsContact CB-OD1 3.22Å; S151-N153 WeakPolarHBondContact CB-OD1 3.18Å; S151-N153 PolarHBondContact OG-ND2 2.92Å; S151-N153 PolarHBondContact OG-OD1 3.47Å; N153-D292 WeakPolarHBondContact O-CB 3.38Å; N153-D292 PolarHBondContact O-N 3.5Å; N153-T294 VanDerWaalsContact CG-CG2 3.49Å; N153-T294 WeakPolarHBondContact ND2-CG2 3.49Å; N153-D297 PolarHBondContact ND2-OD2 2.88Å
154	R	89.5	Confident	92.9	Very high	73 Å²	73	40 Å²	40	28%	0.275	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.5	178.9	-62.7	174	-63.2	169.6	5.3	110.4	D152 L213 G219 I289 A290	D152-R154 PolarHBondContact O-N 2.84Å; D152-R154 VanDerWaalsContact OD1-CB 3.28Å; D152-R154 WeakPolarHBondContact OD1-CB 3.33Å; D152-R154 WeakPolarHBondContact OD1-CG 3.22Å; D152-R154 IonicContact OD1-CZ 3.48Å; D152-R154 PolarHBondContact OD1-N 3.02Å; D152-R154 VanDerWaalsContact OD1-N 3.16Å; D152-R154 IonicContact OD1-NE 2.84Å; D152-R154 PolarHBondContact OD1-NE 3.35Å; D152-R154 IonicContact OD1-NH2 3.38Å; D152-R154 IonicContact OD2-CZ 2.87Å; D152-R154 IonicContact OD2-NE 3.18Å; D152-R154 PolarHBondContact OD2-NE 3.18Å; D152-R154 IonicContact OD2-NH2 3.44Å; D152-R154 PolarHBondContact OD2-NH2 2.72Å; R154-L213 HydrophobicContact CB-CB 4.04Å; R154-L213 HydrophobicContact CB-CD2 3.89Å; R154-L213 VanDerWaalsContact CZ-CD2 3.42Å; R154-L213 VanDerWaalsContact O-CB 3.23Å; R154-L213 WeakPolarHBondContact O-CB 3.2Å; R154-L213 PolarHBondContact O-N 2.84Å; R154-G219 PolarHBondContact NH2-O 2.53Å; R154-I289 HydrophobicContact CB-CG2 4.22Å; R154-A290 CarbonylContact C-O 3.53Å; R154-A290 WeakPolarHBondContact CA-O 3.35Å
155	I	92.6	Very high	92.8	Very high	36 Å²	36	39.5 Å²	39.5	19%	0.185	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	148.5	171.1	53.6	165.9	0	0	0	109.9	T210 V211 I289 A290 D292	I155-T210 HydrophobicContact CB-CG2 3.83Å; I155-T210 HydrophobicContact CD1-CG2 3.77Å; I155-T210 HydrophobicContact CG1-CG2 4.27Å; I155-T210 HydrophobicContact CG2-CG2 4.38Å; I155-V211 WeakPolarHBondContact CA-O 3.24Å; I155-I289 WeakPolarHBondContact O-CA 3.26Å; I155-A290 HydrophobicContact CG1-CB 4.29Å; I155-A290 WeakPolarHBondContact CG1-O 3.33Å; I155-A290 PolarHBondContact N-O 3.24Å; I155-A290 PolarHBondContact O-N 3.44Å; I155-D292 HydrophobicContact CB-CB 4.43Å; I155-D292 HydrophobicContact CD1-CB 4.03Å; I155-D292 HydrophobicContact CG1-CB 4Å; I155-D292 HydrophobicContact CG2-CB 3.62Å
156	I	94.8	Very high	92.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.2	175.4	-172.8	174.5	0	0	0	109.5	L158 T210 V211 L213 L216 V248 K288 I289	I156-L158 HydrophobicContact CD1-CD2 3.77Å; I156-L158 HydrophobicContact CD1-CG 4.31Å; I156-L158 HydrophobicContact CG1-CD2 3.76Å; I156-L158 HydrophobicContact CG1-CG 4.09Å; I156-T210 VanDerWaalsContact O-CA 3.31Å; I156-T210 WeakPolarHBondContact O-CA 3.4Å; I156-V211 HydrophobicContact CG2-CG2 3.62Å; I156-V211 PolarHBondContact N-O 3.11Å; I156-V211 PolarHBondContact O-N 3.03Å; I156-L213 HydrophobicContact CB-CD1 4.2Å; I156-L213 HydrophobicContact CD1-CD1 4.43Å; I156-L213 HydrophobicContact CG2-CD1 4.26Å; I156-L216 HydrophobicContact CD1-CD2 4.08Å; I156-L216 HydrophobicContact CG2-CD2 3.69Å; I156-V248 HydrophobicContact CD1-CG1 3.94Å; I156-V248 HydrophobicContact CD1-CG2 4.17Å; I156-K288 WeakPolarHBondContact CA-O 3.47Å; I156-I289 HydrophobicContact CG1-CG1 4.26Å
157	T	96	Very high	92.6	Very high	37 Å²	37	44.4 Å²	44.4	23%	0.227	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.8	175	-57.6	0	0	0	0	109.4	F209 T210 K288	T157-F209 VanDerWaalsContact CA-O 3.32Å; T157-F209 WeakPolarHBondContact CA-O 3.3Å; T157-T210 PolarHBondContact OG1-OG1 3.28Å; T157-K288 PolarHBondContact N-O 2.72Å; T157-K288 PolarHBondContact O-N 3.24Å
158	L	96.4	Very high	92.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	137	-175.9	-59.1	177.9	0	0	0	110.7	I156 L160 F180 P208 F209 M251 L284 S286 C287	I156-L158 HydrophobicContact CD1-CD2 3.77Å; I156-L158 HydrophobicContact CD1-CG 4.31Å; I156-L158 HydrophobicContact CG1-CD2 3.76Å; I156-L158 HydrophobicContact CG1-CG 4.09Å; L158-L160 HydrophobicContact CB-CD1 3.79Å; L158-F180 HydrophobicContact CD1-CE1 4.03Å; L158-F180 HydrophobicContact CD1-CZ 4.49Å; L158-P208 VanDerWaalsContact O-CA 3.3Å; L158-P208 WeakPolarHBondContact O-CA 3.15Å; L158-F209 HydrophobicContact CB-CE1 4.09Å; L158-F209 HydrophobicContact CB-CE2 4.39Å; L158-F209 HydrophobicContact CB-CZ 3.97Å; L158-F209 HydrophobicContact CD1-CE2 4.03Å; L158-F209 HydrophobicContact CD1-CZ 3.68Å; L158-F209 HydrophobicContact CG-CE2 4.49Å; L158-F209 HydrophobicContact CG-CZ 4.3Å; L158-F209 PolarHBondContact N-O 3.14Å; L158-F209 PolarHBondContact O-N 2.79Å; L158-M251 HydrophobicContact CD1-SD 4.08Å; L158-M251 HydrophobicContact CD2-SD 4.31Å; L158-L284 HydrophobicContact CB-CD1 4.23Å; L158-L284 HydrophobicContact CD2-CD1 3.96Å; L158-S286 WeakPolarHBondContact CA-O 3.45Å; L158-C287 HydrophobicContact CD2-CB 4.05Å
159	T	97	Very high	92	Very high	36 Å²	36	43.1 Å²	43.1	22%	0.221	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.3	171.8	-57.8	0	0	0	0	109.3	P208 K285 S286	T159-P208 HydrophobicContact CG2-CG 4.31Å; T159-K285 HydrophobicContact CG2-CB 4.2Å; T159-K285 HydrophobicContact CG2-CD 4.5Å; T159-K285 PolarHBondContact O-N 2.95Å; T159-S286 PolarHBondContact N-O 3.43Å; T159-S286 PolarHBondContact O-N 2.98Å
160	L	97.6	Very high	91.5	Very high	5 Å²	5	51.6 Å²	51.6	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	157	-173.8	-56.9	104.6	0	0	0	113	L158 L178 F180 W206 F209 I282 I283 L284	L158-L160 HydrophobicContact CB-CD1 3.79Å; L160-L178 HydrophobicContact CD2-CD1 4.3Å; L160-F180 HydrophobicContact CD1-CZ 3.93Å; L160-F180 HydrophobicContact CD2-CZ 4.08Å; L160-W206 HydrophobicContact CB-CE3 4.09Å; L160-W206 HydrophobicContact CB-CZ3 4.49Å; L160-W206 PolarHBondContact O-N 3.14Å; L160-F209 HydrophobicContact CD1-CD1 4.46Å; L160-F209 HydrophobicContact CD1-CE1 3.6Å; L160-F209 HydrophobicContact CD1-CZ 4.29Å; L160-I282 HydrophobicContact CD2-CG2 3.84Å; L160-I283 CarbonylContact C-O 3.58Å; L160-I283 VanDerWaalsContact CA-O 3.28Å; L160-I283 WeakPolarHBondContact CA-O 3.25Å; L160-L284 HydrophobicContact CD1-CD1 4.38Å; L160-L284 HydrophobicContact CD2-CB 4.45Å; L160-L284 HydrophobicContact CD2-CD1 4.02Å; L160-L284 HydrophobicContact CG-CD1 3.78Å
161	S	98.2	Very high	91.3	Very high	8 Å²	8	58 Å²	58	6%	0.056	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	154.2	165.3	56.4	0	0	0	0	111.2	P204 W206 I283 K285	S161-P204 CarbonylContact C-O 3.46Å; S161-P204 WeakPolarHBondContact CA-O 3.41Å; S161-P204 WeakPolarHBondContact CB-O 3.3Å; S161-W206 VanDerWaalsContact C-CZ3 3.46Å; S161-I283 PolarHBondContact N-O 2.93Å; S161-I283 PolarHBondContact O-N 3.26Å; S161-K285 WeakPolarHBondContact OG-CE 3.5Å
162	G	98.1	Very high	91.7	Very high	4 Å²	4	56.7 Å²	56.7	4%	0.041	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	156.6	168.5	0	0	0	0	0	111.1	D203 P204 W206 V281	G162-D203 CarbonylContact O-C 3.56Å; G162-D203 VanDerWaalsContact O-CA 3.22Å; G162-D203 WeakPolarHBondContact O-CA 3.2Å; G162-P204 PolarHBondContact N-O 2.71Å; G162-W206 VanDerWaalsContact N-CZ3 3.3Å; G162-V281 CarbonylContact C-O 3.6Å; G162-V281 WeakPolarHBondContact CA-O 3.45Å
163	R	98.3	Very high	92.2	Very high	90 Å²	90	59.1 Å²	59.1	34%	0.34	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	129.8	173.5	-174.1	176.1	67.4	-160.5	-2.9	110.4	L165 L202 D203 E261 G280 V281 I283	R163-L165 PolarHBondContact O-N 2.98Å; R163-L202 CarbonylContact C-O 3.53Å; R163-D203 VanDerWaalsContact CA-OD1 3.3Å; R163-D203 WeakPolarHBondContact CA-OD1 3.4Å; R163-E261 IonicContact CZ-OE1 3.45Å; R163-E261 IonicContact CZ-OE2 2.7Å; R163-E261 IonicContact NH1-OE1 2.87Å; R163-E261 PolarHBondContact NH1-OE1 3.15Å; R163-E261 IonicContact NH2-OE1 3.77Å; R163-E261 PolarHBondContact NH2-OE1 2.9Å; R163-E261 IonicContact NH2-OE2 3.51Å; R163-E261 PolarHBondContact NH2-OE2 2.81Å; R163-G280 WeakPolarHBondContact O-CA 3.38Å; R163-V281 PolarHBondContact N-O 3.34Å; R163-V281 PolarHBondContact O-N 2.93Å; R163-I283 HydrophobicContact CB-CD1 3.92Å
164	K	97.4	Very high	92.7	Very high	161 Å²	161	57.8 Å²	57.8	70%	0.7	27%	0.269	S	S	*	.	S	Bend	trans	49	43.7	178.8	-62.6	176.6	179.9	177.6	0	112.9	L202 D203 G280	K164-L202 PolarHBondContact N-O 3.36Å; K164-L202 VanDerWaalsContact N-O 3.12Å; K164-D203 PolarHBondContact N-OD1 3.4Å; K164-G280 WeakPolarHBondContact O-CA 3.41Å
165	L	97.6	Very high	92.9	Very high	3 Å²	3	55.5 Å²	55.5	2%	0.016	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-59.7	150.1	173.3	-62.6	-179	0	0	0	110.6	R163 K167 P176 L202 P204 W206 S279 I282	R163-L165 PolarHBondContact O-N 2.98Å; L165-K167 PolarHBondContact O-N 3.36Å; L165-P176 HydrophobicContact CD1-CB 3.6Å; L165-P176 HydrophobicContact CD1-CG 3.92Å; L165-L202 WeakPolarHBondContact CB-O 3.38Å; L165-L202 WeakPolarHBondContact CG-O 3.39Å; L165-L202 PolarHBondContact N-O 2.64Å; L165-L202 WeakPolarHBondContact O-CB 3.25Å; L165-L202 WeakPolarHBondContact O-CD1 3.23Å; L165-L202 WeakPolarHBondContact O-CD2 3.28Å; L165-P204 HydrophobicContact CD1-CG 3.65Å; L165-W206 HydrophobicContact CD1-CH2 4.46Å; L165-S279 WeakPolarHBondContact CA-O 3.49Å; L165-I282 HydrophobicContact CD2-CD1 3.95Å
166	D	94.7	Very high	93.2	Very high	45 Å²	45	53.8 Å²	53.8	24%	0.241	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-66.9	130	178.1	-88.4	-18.3	0	0	0	111.1	S174 I241 K269 S279	D166-S174 PolarHBondContact O-OG 2.89Å; D166-I241 HydrophobicContact CB-CG2 4.43Å; D166-K269 IonicContact OD2-NZ 3.76Å; D166-K269 PolarHBondContact OD2-NZ 3.17Å; D166-S279 PolarHBondContact N-O 3.18Å; D166-S279 WeakPolarHBondContact OD2-CA 3.25Å; D166-S279 VanDerWaalsContact OD2-CB 3.26Å; D166-S279 WeakPolarHBondContact OD2-CB 3.25Å; D166-S279 PolarHBondContact OD2-OG 2.95Å
167	K	93.3	Very high	93.3	Very high	111 Å²	111	54.1 Å²	54.1	48%	0.483	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-64.9	131.5	169.3	176.6	175.2	163.1	163.2	0	110.1	L165 D169 G172 S174 L202	L165-K167 PolarHBondContact O-N 3.36Å; K167-D169 WeakPolarHBondContact CE-O 3.33Å; K167-G172 VanDerWaalsContact CD-O 3.31Å; K167-G172 WeakPolarHBondContact CD-O 3.31Å; K167-G172 WeakPolarHBondContact CE-O 3.45Å; K167-G172 PolarHBondContact NZ-O 3.32Å; K167-S174 WeakPolarHBondContact CA-OG 3.42Å; K167-L202 HydrophobicContact CB-CD1 4.35Å; K167-L202 HydrophobicContact CB-CD2 4.08Å
168	K	90.2	Very high	93.5	Very high	52 Å²	52	52.3 Å²	52.3	23%	0.226	24%	0.244	C	C	.	.			trans	-117.8	-42.3	-178.9	-72.6	-45.4	-151	97.4	0	112.8	S174 D231 D239 F240 I241	K168-S174 PolarHBondContact N-OG 3.19Å; K168-S174 VanDerWaalsContact N-OG 3.08Å; K168-D231 HydrophobicContact CB-CB 3.93Å; K168-D231 WeakPolarHBondContact CB-OD2 3.33Å; K168-D231 HydrophobicContact CG-CB 4.03Å; K168-D239 HydrophobicContact CB-CB 4.25Å; K168-D239 WeakPolarHBondContact CD-OD2 3.37Å; K168-D239 HydrophobicContact CG-CB 4.28Å; K168-D239 VanDerWaalsContact NZ-CG 3.35Å; K168-D239 IonicContact NZ-OD1 2.66Å; K168-D239 IonicContact NZ-OD2 3.57Å; K168-D239 PolarHBondContact NZ-OD2 3.02Å; K168-F240 WeakPolarHBondContact CE-O 3.48Å; K168-F240 PolarHBondContact NZ-O 2.65Å; K168-I241 HydrophobicContact CG-CG1 4Å
169	D	83.8	Confident	93.6	Very high	41 Å²	41	53.1 Å²	53.1	22%	0.219	25%	0.248	C	C	.	.			trans	-61	144.3	173.3	-74.3	-49.4	0	0	0	115.7	K167 K173	K167-D169 WeakPolarHBondContact CE-O 3.33Å; D169-K173 VanDerWaalsContact OD2-O 3.1Å
170	F	78.9	Confident	93.6	Very high	191 Å²	191	51.4 Å²	51.4	84%	0.838	24%	0.237	S	C	*	.	S	Bend	trans	-74.1	-43.5	173.8	-146.2	-96	0	0	0	111.4
171	F	79.4	Confident	93.6	Very high	199 Å²	199	52.2 Å²	52.2	87%	0.873	24%	0.241	S	C	*	.	S	Bend	trans	-115	72.7	-179.6	-70.9	-78.5	0	0	0	112
172	G	86	Confident	93.5	Very high	27 Å²	27	53.8 Å²	53.8	28%	0.278	25%	0.247	S	C	.	.	S	Bend	trans	157.7	-167.9	179.3	0	0	0	0	0	111.9	K167	K167-G172 VanDerWaalsContact CD-O 3.31Å; K167-G172 WeakPolarHBondContact CD-O 3.31Å; K167-G172 WeakPolarHBondContact CE-O 3.45Å; K167-G172 PolarHBondContact NZ-O 3.32Å
173	K	92.3	Very high	93.2	Very high	95 Å²	95	57.3 Å²	57.3	41%	0.413	26%	0.262	S	S	.	.			trans	-101	167.7	152.3	-63.2	170.9	177.5	-178.3	0	107	D169 N200 L202	D169-K173 VanDerWaalsContact OD2-O 3.1Å; K173-N200 WeakPolarHBondContact CB-OD1 3.48Å; K173-N200 PolarHBondContact N-OD1 3.21Å; K173-L202 HydrophobicContact CB-CD2 3.88Å; K173-L202 HydrophobicContact CB-CG 4.09Å; K173-L202 HydrophobicContact CD-CG 4.13Å; K173-L202 HydrophobicContact CG-CD2 4.37Å; K173-L202 HydrophobicContact CG-CG 4.09Å
174	S	94.1	Very high	92.6	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.25	C	C	.	.			trans	-58.7	158.7	176	-42.2	0	0	0	0	112.5	D166 K167 K168 P176 N200 T201 D231	D166-S174 PolarHBondContact O-OG 2.89Å; K167-S174 WeakPolarHBondContact CA-OG 3.42Å; K168-S174 PolarHBondContact N-OG 3.19Å; K168-S174 VanDerWaalsContact N-OG 3.08Å; S174-P176 WeakPolarHBondContact O-CD 3.2Å; S174-N200 CarbonylContact O-C 3.56Å; S174-N200 WeakPolarHBondContact O-CA 3.35Å; S174-N200 PolarHBondContact O-N 3.05Å; S174-T201 PolarHBondContact O-N 3.4Å; S174-D231 WeakPolarHBondContact CA-OD1 3.11Å; S174-D231 WeakPolarHBondContact CB-OD1 3.27Å
175	D	95.4	Very high	92	Very high	25 Å²	25	54.7 Å²	54.7	13%	0.134	26%	0.258	C	S	.	.			trans	-105	68.3	169.1	-69.2	-10.6	0	0	0	110.8	V197 I198 K199 N200 D231 Y232	D175-V197 HydrophobicContact CB-CG1 3.82Å; D175-I198 CarbonylContact C-O 3.44Å; D175-I198 VanDerWaalsContact CA-O 3.27Å; D175-I198 WeakPolarHBondContact CA-O 3.35Å; D175-K199 WeakPolarHBondContact OD1-CA 3.09Å; D175-N200 PolarHBondContact OD1-N 3.22Å; D175-D231 WeakPolarHBondContact CA-OD1 3.31Å; D175-D231 PolarHBondContact N-OD1 3.2Å; D175-Y232 PolarHBondContact O-N 3.4Å
176	P	97.4	Very high	91.6	Very high	0 Å²	0	59.2 Å²	59.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.6	-167.7	29.6	-40.4	0	0	0	115.3	L165 S174 I198 T201 P204 W206 Y230 I241	L165-P176 HydrophobicContact CD1-CB 3.6Å; L165-P176 HydrophobicContact CD1-CG 3.92Å; S174-P176 WeakPolarHBondContact O-CD 3.2Å; P176-I198 WeakPolarHBondContact CD-O 3.37Å; P176-I198 PolarHBondContact O-N 2.99Å; P176-T201 WeakPolarHBondContact CD-O 3.3Å; P176-T201 HydrophobicContact CG-CG2 4.06Å; P176-P204 HydrophobicContact CB-CG 4.15Å; P176-P204 HydrophobicContact CG-CB 3.73Å; P176-P204 HydrophobicContact CG-CG 3.53Å; P176-W206 HydrophobicContact CB-CZ2 4.18Å; P176-W206 PolarHBondContact O-NE1 2.89Å; P176-W206 VanDerWaalsContact O-NE1 3.17Å; P176-Y230 VanDerWaalsContact CA-O 3.25Å; P176-Y230 WeakPolarHBondContact CA-O 3.47Å; P176-I241 HydrophobicContact CB-CD1 4.21Å
177	Y	98.1	Very high	91.2	Very high	6 Å²	6	58.7 Å²	58.7	2%	0.024	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.6	166.4	70.8	-84.7	0	0	0	111.8	E179 R194 V197 C229 Y230 H238	Y177-E179 HydrophobicContact CD2-CG 4.13Å; Y177-E179 HydrophobicContact CE2-CG 3.69Å; Y177-R194 HydrophobicContact CD2-CG 3.72Å; Y177-R194 HydrophobicContact CE2-CG 4.06Å; Y177-V197 HydrophobicContact CD1-CG2 4Å; Y177-V197 HydrophobicContact CG-CG2 4.23Å; Y177-C229 WeakPolarHBondContact O-CA 3.39Å; Y177-Y230 HydrophobicContact CE1-CG 4.43Å; Y177-Y230 HydrophobicContact CE2-CD2 4.2Å; Y177-Y230 HydrophobicContact CE2-CG 4.44Å; Y177-Y230 AromaticContact CZ-CG 3.97Å; Y177-Y230 PolarHBondContact N-O 3.48Å; Y177-Y230 PolarHBondContact O-N 3.36Å; Y177-Y230 WeakPolarHBondContact OH-CB 3.16Å; Y177-H238 HydrophobicContact CE1-CB 4.44Å; Y177-H238 PolarHBondContact OH-CD2 3.47Å; Y177-H238 VanDerWaalsContact OH-CD2 3.31Å
178	L	98.6	Very high	91.2	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	146.3	178.8	-59.9	179.9	0	0	0	111.9	L160 F180 R194 T195 W206 V227 L228 C229 I282	L160-L178 HydrophobicContact CD2-CD1 4.3Å; L178-F180 HydrophobicContact CB-CE2 4Å; L178-F180 HydrophobicContact CD1-CE2 4.27Å; L178-F180 HydrophobicContact CD1-CZ 4.39Å; L178-R194 VanDerWaalsContact O-CA 3.32Å; L178-R194 WeakPolarHBondContact O-CA 3.08Å; L178-T195 HydrophobicContact CB-CG2 3.95Å; L178-T195 PolarHBondContact N-OG1 2.87Å; L178-T195 PolarHBondContact O-N 3.01Å; L178-W206 HydrophobicContact CD1-CD2 4.33Å; L178-W206 HydrophobicContact CD1-CE3 3.86Å; L178-W206 HydrophobicContact CD1-CH2 3.84Å; L178-W206 HydrophobicContact CD1-CZ2 4.31Å; L178-W206 HydrophobicContact CD1-CZ3 3.58Å; L178-W206 HydrophobicContact CD2-CH2 3.87Å; L178-W206 HydrophobicContact CD2-CZ2 4.16Å; L178-W206 HydrophobicContact CD2-CZ3 4.45Å; L178-W206 HydrophobicContact CG-CD2 4.4Å; L178-W206 HydrophobicContact CG-CE3 4.32Å; L178-W206 HydrophobicContact CG-CH2 3.69Å; L178-W206 HydrophobicContact CG-CZ2 3.78Å; L178-W206 HydrophobicContact CG-CZ3 3.98Å; L178-V227 HydrophobicContact CB-CG1 4.35Å; L178-V227 HydrophobicContact CD1-CG1 4.46Å; L178-V227 HydrophobicContact CD2-CG1 4.27Å; L178-L228 CarbonylContact C-O 3.59Å; L178-L228 VanDerWaalsContact CA-O 3.29Å; L178-L228 WeakPolarHBondContact CA-O 3.3Å; L178-C229 HydrophobicContact CD2-CB 3.66Å; L178-I282 HydrophobicContact CD1-CG2 4.19Å; L178-I282 HydrophobicContact CD2-CD1 3.96Å; L178-I282 HydrophobicContact CD2-CG1 4.39Å
179	E	98.4	Very high	91.4	Very high	16 Å²	16	61.3 Å²	61.3	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	121.4	169.6	-61.8	-170.7	151	0	0	111.2	Y177 H181 L191 H193 R194 V227 L228 Y230	Y177-E179 HydrophobicContact CD2-CG 4.13Å; Y177-E179 HydrophobicContact CE2-CG 3.69Å; E179-H181 VanDerWaalsContact CB-CE1 3.43Å; E179-H181 WeakPolarHBondContact CB-CE1 3.34Å; E179-H181 PolarHBondContact O-ND1 3.18Å; E179-H181 IonicContact OE2-CE1 2.62Å; E179-H181 PolarHBondContact OE2-CE1 3.41Å; E179-H181 IonicContact OE2-NE2 2.7Å; E179-L191 HydrophobicContact CB-CD1 3.75Å; E179-L191 HydrophobicContact CG-CD1 4.11Å; E179-H193 WeakPolarHBondContact CA-O 3.34Å; E179-R194 HydrophobicContact CG-CG 4.13Å; E179-R194 IonicContact OE1-CZ 2.73Å; E179-R194 IonicContact OE1-NE 3.18Å; E179-R194 PolarHBondContact OE1-NE 3.08Å; E179-R194 IonicContact OE1-NH2 2.52Å; E179-R194 PolarHBondContact OE1-NH2 3.01Å; E179-V227 WeakPolarHBondContact O-CA 3.45Å; E179-L228 HydrophobicContact CB-CB 4.33Å; E179-L228 PolarHBondContact N-O 2.8Å; E179-L228 PolarHBondContact O-N 2.86Å; E179-Y230 HydrophobicContact CG-CD2 4.39Å
180	F	98.4	Very high	92	Very high	1 Å²	1	63.4 Å²	63.4	0%	0.004	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127.3	176.6	-69.5	-102.8	0	0	0	109.5	L158 L160 L178 V192 H193 T195 F209 L216 I225 V227	L158-F180 HydrophobicContact CD1-CE1 4.03Å; L158-F180 HydrophobicContact CD1-CZ 4.49Å; L160-F180 HydrophobicContact CD1-CZ 3.93Å; L160-F180 HydrophobicContact CD2-CZ 4.08Å; L178-F180 HydrophobicContact CB-CE2 4Å; L178-F180 HydrophobicContact CD1-CE2 4.27Å; L178-F180 HydrophobicContact CD1-CZ 4.39Å; F180-V192 PolarHBondContact O-N 2.83Å; F180-H193 HydrophobicContact CB-CB 4.34Å; F180-H193 PolarHBondContact N-O 3.43Å; F180-H193 PolarHBondContact O-N 3.04Å; F180-T195 HydrophobicContact CE2-CG2 4.35Å; F180-F209 HydrophobicContact CD1-CZ 4.38Å; F180-F209 HydrophobicContact CD2-CE1 4.35Å; F180-F209 AromaticContact CD2-CZ 3.81Å; F180-F209 HydrophobicContact CD2-CZ 3.81Å; F180-F209 HydrophobicContact CE1-CZ 4.06Å; F180-F209 AromaticContact CE2-CE1 3.67Å; F180-F209 HydrophobicContact CE2-CE1 3.67Å; F180-F209 AromaticContact CE2-CZ 3.45Å; F180-F209 HydrophobicContact CE2-CZ 3.45Å; F180-F209 VanDerWaalsContact CE2-CZ 3.45Å; F180-F209 HydrophobicContact CG-CZ 4.28Å; F180-F209 AromaticContact CZ-CE1 3.93Å; F180-F209 HydrophobicContact CZ-CE1 3.93Å; F180-F209 AromaticContact CZ-CZ 3.6Å; F180-F209 HydrophobicContact CZ-CZ 3.6Å; F180-L216 HydrophobicContact CB-CD1 4.23Å; F180-L216 HydrophobicContact CD1-CD1 4.41Å; F180-I225 HydrophobicContact CD1-CG2 4.29Å; F180-V227 HydrophobicContact CD1-CG2 3.66Å; F180-V227 HydrophobicContact CE1-CG1 4.33Å; F180-V227 HydrophobicContact CE1-CG2 3.67Å; F180-V227 HydrophobicContact CE2-CG1 4.4Å; F180-V227 HydrophobicContact CG-CG2 4.37Å; F180-V227 HydrophobicContact CZ-CG1 4.22Å; F180-V227 HydrophobicContact CZ-CG2 4.37Å
181	H	97.9	Very high	92.8	Very high	21 Å²	21	58.5 Å²	58.5	10%	0.097	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	139.2	-178.7	-65.6	77.3	0	0	0	111.4	E179 W189 M190 L191 K226	E179-H181 VanDerWaalsContact CB-CE1 3.43Å; E179-H181 WeakPolarHBondContact CB-CE1 3.34Å; E179-H181 PolarHBondContact O-ND1 3.18Å; E179-H181 IonicContact OE2-CE1 2.62Å; E179-H181 PolarHBondContact OE2-CE1 3.41Å; E179-H181 IonicContact OE2-NE2 2.7Å; H181-W189 HydrophobicContact CB-CB 4.16Å; H181-W189 HydrophobicContact CB-CE3 3.98Å; H181-M190 CarbonylContact C-O 3.49Å; H181-M190 WeakPolarHBondContact CA-O 3.22Å; H181-L191 PolarHBondContact CD2-N 2.93Å; H181-K226 HydrophobicContact CB-CB 4.3Å; H181-K226 PolarHBondContact N-O 3.37Å; H181-K226 PolarHBondContact O-N 3.24Å
182	K	95.3	Very high	93.6	Very high	41 Å²	41	50.7 Å²	50.7	18%	0.178	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	154.1	168.7	71.7	163.8	161.9	-172.4	0	111.4	W189 M190 V192 I214 S215 L216 N218	K182-W189 CarbonylContact O-C 3.51Å; K182-W189 WeakPolarHBondContact O-CA 3.35Å; K182-M190 HydrophobicContact CD-CE 4.17Å; K182-M190 HydrophobicContact CG-CB 4.28Å; K182-M190 HydrophobicContact CG-CE 4.04Å; K182-M190 PolarHBondContact N-O 2.73Å; K182-M190 PolarHBondContact O-N 3.45Å; K182-V192 HydrophobicContact CB-CG2 3.82Å; K182-V192 HydrophobicContact CD-CG2 4.33Å; K182-V192 HydrophobicContact CG-CG2 3.7Å; K182-I214 PolarHBondContact NZ-O 3.35Å; K182-S215 WeakPolarHBondContact CD-O 3.28Å; K182-S215 WeakPolarHBondContact CE-O 3.16Å; K182-S215 PolarHBondContact NZ-O 3.16Å; K182-L216 VanDerWaalsContact CB-O 3.24Å; K182-L216 WeakPolarHBondContact CB-O 3.24Å; K182-N218 PolarHBondContact NZ-OD1 3.12Å
183	Q	91.9	Very high	94.1	Very high	78 Å²	78	51.7 Å²	51.7	36%	0.364	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.4	172.1	-161.3	171.5	21.1	0	0	110.3	G187 W189	Q183-G187 PolarHBondContact NE2-O 3.14Å; Q183-W189 HydrophobicContact CB-CE3 4.14Å; Q183-W189 HydrophobicContact CB-CH2 4.03Å; Q183-W189 HydrophobicContact CB-CZ3 3.8Å
184	G	86.1	Confident	94.4	Very high	8 Å²	8	53.3 Å²	53.3	8%	0.082	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-72.5	167.9	170.6	0	0	0	0	0	112.3	D186 G187 K188	G184-D186 PolarHBondContact O-N 2.81Å; G184-G187 WeakPolarHBondContact O-CA 3.21Å; G184-G187 PolarHBondContact O-N 2.96Å; G184-K188 PolarHBondContact N-O 3.37Å
185	E	84.6	Confident	94.6	Very high	189 Å²	189	53.7 Å²	53.7	88%	0.883	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-28.6	177.1	-62.6	-172.3	165.4	0	0	112.6	G187	E185-G187 PolarHBondContact O-N 3.2Å
186	D	88.9	Confident	94.7	Very high	97 Å²	97	55.5 Å²	55.5	52%	0.519	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	4.6	173.3	72.1	-15.5	0	0	0	113.3	G184 K188	G184-D186 PolarHBondContact O-N 2.81Å; D186-K188 PolarHBondContact O-N 2.77Å; D186-K188 WeakPolarHBondContact OD1-CB 3.31Å; D186-K188 PolarHBondContact OD1-N 3.18Å; D186-K188 VanDerWaalsContact OD2-CD 3.24Å; D186-K188 WeakPolarHBondContact OD2-CD 3.49Å; D186-K188 WeakPolarHBondContact OD2-CE 3.36Å; D186-K188 VanDerWaalsContact OD2-CG 3.32Å; D186-K188 WeakPolarHBondContact OD2-CG 3.5Å; D186-K188 IonicContact OD2-NZ 2.68Å; D186-K188 PolarHBondContact OD2-NZ 3.27Å
187	G	86.9	Confident	94.7	Very high	35 Å²	35	58 Å²	58	36%	0.361	28%	0.283	S	S	.	.	S	Bend	trans	77.1	-1.2	-178.4	0	0	0	0	0	114.5	Q183 G184 E185	Q183-G187 PolarHBondContact NE2-O 3.14Å; G184-G187 WeakPolarHBondContact O-CA 3.21Å; G184-G187 PolarHBondContact O-N 2.96Å; E185-G187 PolarHBondContact O-N 3.2Å
188	K	92.4	Very high	94.7	Very high	136 Å²	136	59.7 Å²	59.7	59%	0.591	29%	0.292	S	S	*	.			trans	-78.5	148	179.2	-63.3	-170.6	-165.7	113.4	0	111.6	G184 D186	G184-K188 PolarHBondContact N-O 3.37Å; D186-K188 PolarHBondContact O-N 2.77Å; D186-K188 WeakPolarHBondContact OD1-CB 3.31Å; D186-K188 PolarHBondContact OD1-N 3.18Å; D186-K188 VanDerWaalsContact OD2-CD 3.24Å; D186-K188 WeakPolarHBondContact OD2-CD 3.49Å; D186-K188 WeakPolarHBondContact OD2-CE 3.36Å; D186-K188 VanDerWaalsContact OD2-CG 3.32Å; D186-K188 WeakPolarHBondContact OD2-CG 3.5Å; D186-K188 IonicContact OD2-NZ 2.68Å; D186-K188 PolarHBondContact OD2-NZ 3.27Å
189	W	95.2	Very high	94.5	Very high	82 Å²	82	67.1 Å²	67.1	31%	0.311	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	127.4	174	-66	102.1	0	0	0	110.3	H181 K182 Q183 N224 K226	H181-W189 HydrophobicContact CB-CB 4.16Å; H181-W189 HydrophobicContact CB-CE3 3.98Å; K182-W189 CarbonylContact O-C 3.51Å; K182-W189 WeakPolarHBondContact O-CA 3.35Å; Q183-W189 HydrophobicContact CB-CE3 4.14Å; Q183-W189 HydrophobicContact CB-CH2 4.03Å; Q183-W189 HydrophobicContact CB-CZ3 3.8Å; W189-N224 HydrophobicContact CH2-CB 4.21Å; W189-K226 HydrophobicContact CD2-CB 3.9Å; W189-K226 HydrophobicContact CD2-CD 4Å; W189-K226 HydrophobicContact CE3-CB 3.56Å; W189-K226 HydrophobicContact CG-CD 4.26Å; W189-K226 HydrophobicContact CH2-CB 3.76Å; W189-K226 HydrophobicContact CZ2-CB 4.07Å; W189-K226 HydrophobicContact CZ2-CD 4.31Å; W189-K226 HydrophobicContact CZ3-CB 3.48Å; W189-K226 VanDerWaalsContact CZ3-CB 3.48Å
190	M	95.3	Very high	94.4	Very high	85 Å²	85	71 Å²	71	42%	0.419	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	130.9	177.9	-64	-176.7	-68.3	0	0	109.6	H181 K182 V192	H181-M190 CarbonylContact C-O 3.49Å; H181-M190 WeakPolarHBondContact CA-O 3.22Å; K182-M190 HydrophobicContact CD-CE 4.17Å; K182-M190 HydrophobicContact CG-CB 4.28Å; K182-M190 HydrophobicContact CG-CE 4.04Å; K182-M190 PolarHBondContact N-O 2.73Å; K182-M190 PolarHBondContact O-N 3.45Å; M190-V192 PolarHBondContact O-N 2.92Å
191	L	96.2	Very high	94.3	Very high	87 Å²	87	72.1 Å²	72.1	46%	0.455	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.9	176.8	-179.6	67.1	0	0	0	109.9	E179 H181	E179-L191 HydrophobicContact CB-CD1 3.75Å; E179-L191 HydrophobicContact CG-CD1 4.11Å; H181-L191 PolarHBondContact CD2-N 2.93Å
192	V	96	Very high	94.2	Very high	36 Å²	36	72.8 Å²	72.8	22%	0.218	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	-46.2	177.3	-179.8	0	0	0	0	110.4	F180 K182 M190 S215 L216	F180-V192 PolarHBondContact O-N 2.83Å; K182-V192 HydrophobicContact CB-CG2 3.82Å; K182-V192 HydrophobicContact CD-CG2 4.33Å; K182-V192 HydrophobicContact CG-CG2 3.7Å; M190-V192 PolarHBondContact O-N 2.92Å; V192-S215 WeakPolarHBondContact CG1-O 3.19Å; V192-S215 WeakPolarHBondContact CG2-O 3.49Å; V192-L216 HydrophobicContact CB-CD1 4.49Å; V192-L216 HydrophobicContact CG1-CD1 4.25Å
193	H	97.8	Very high	94.4	Very high	47 Å²	47	74.6 Å²	74.6	22%	0.218	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	147.2	-176	-174.6	74.1	0	0	0	111.3	E179 F180 F209 V211	E179-H193 WeakPolarHBondContact CA-O 3.34Å; F180-H193 HydrophobicContact CB-CB 4.34Å; F180-H193 PolarHBondContact N-O 3.43Å; F180-H193 PolarHBondContact O-N 3.04Å; H193-F209 HydrophobicContact CB-CE2 4.33Å; H193-F209 AromaticContact CD2-CD1 3.78Å; H193-F209 AromaticContact CD2-CD2 3.45Å; H193-F209 VanDerWaalsContact CD2-CD2 3.45Å; H193-F209 WeakPolarHBondContact CD2-CD2 3.32Å; H193-F209 AromaticContact CD2-CE1 3.85Å; H193-F209 AromaticContact CD2-CE2 3.54Å; H193-F209 AromaticContact CD2-CG 3.57Å; H193-F209 AromaticContact CD2-CZ 3.73Å; H193-F209 AromaticContact CE1-CD2 3.95Å; H193-F209 AromaticContact CE1-CG 3.86Å; H193-F209 AromaticContact CG-CD2 3.82Å; H193-F209 AromaticContact CG-CE2 3.91Å; H193-F209 AromaticContact NE2-CD1 3.59Å; H193-F209 AromaticContact NE2-CD2 3.57Å; H193-F209 AromaticContact NE2-CG 3.26Å; H193-F209 VanDerWaalsContact NE2-CG 3.26Å; H193-F209 WeakPolarHBondContact NE2-CG 3.47Å; H193-V211 HydrophobicContact CB-CG1 4.07Å
194	R	98.1	Very high	94.7	Very high	129 Å²	129	70.9 Å²	70.9	49%	0.487	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	129.3	172.2	-175.8	-174.1	-71	161.4	-3.9	108.8	Y177 L178 E179	Y177-R194 HydrophobicContact CD2-CG 3.72Å; Y177-R194 HydrophobicContact CE2-CG 4.06Å; L178-R194 VanDerWaalsContact O-CA 3.32Å; L178-R194 WeakPolarHBondContact O-CA 3.08Å; E179-R194 HydrophobicContact CG-CG 4.13Å; E179-R194 IonicContact OE1-CZ 2.73Å; E179-R194 IonicContact OE1-NE 3.18Å; E179-R194 PolarHBondContact OE1-NE 3.08Å; E179-R194 IonicContact OE1-NH2 2.52Å; E179-R194 PolarHBondContact OE1-NH2 3.01Å
195	T	98.4	Very high	95.3	Very high	8 Å²	8	74.7 Å²	74.7	5%	0.049	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-73.5	170	175.4	65.7	0	0	0	0	111.2	L178 F180 W206 F209	L178-T195 HydrophobicContact CB-CG2 3.95Å; L178-T195 PolarHBondContact N-OG1 2.87Å; L178-T195 PolarHBondContact O-N 3.01Å; F180-T195 HydrophobicContact CE2-CG2 4.35Å; T195-W206 HydrophobicContact CG2-CB 4.37Å; T195-W206 HydrophobicContact CG2-CG 4.28Å; T195-W206 PolarHBondContact OG1-NE1 3.36Å; T195-F209 HydrophobicContact CG2-CD1 4.31Å; T195-F209 HydrophobicContact CG2-CE1 4.17Å
196	E	97.6	Very high	95.9	Very high	64 Å²	64	65.9 Å²	65.9	30%	0.299	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-65.6	159.8	166.4	78.7	-79.7	-160.7	0	0	112.1	I198 W206 K207	E196-I198 HydrophobicContact CG-CD1 3.66Å; E196-W206 PolarHBondContact O-NE1 3.31Å; E196-W206 WeakPolarHBondContact OE1-CA 3.47Å; E196-K207 WeakPolarHBondContact OE1-CG 3.47Å; E196-K207 PolarHBondContact OE1-N 3.14Å
197	V	97.6	Very high	96.3	Very high	51 Å²	51	68.5 Å²	68.5	31%	0.309	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-84.5	126.3	171.9	177	0	0	0	0	109	D175 Y177 Y232	D175-V197 HydrophobicContact CB-CG1 3.82Å; Y177-V197 HydrophobicContact CD1-CG2 4Å; Y177-V197 HydrophobicContact CG-CG2 4.23Å; V197-Y232 HydrophobicContact CG1-CD1 4.38Å; V197-Y232 HydrophobicContact CG1-CG 4.07Å; V197-Y232 HydrophobicContact CG2-CD2 4Å; V197-Y232 HydrophobicContact CG2-CG 3.97Å
198	I	97.3	Very high	96.8	Very high	43 Å²	43	70.8 Å²	70.8	22%	0.221	35%	0.346	C	S	.	.			trans	-104.2	114.9	174.1	-53.2	-61.6	0	0	0	109	D175 P176 E196 T201 P204 W206	D175-I198 CarbonylContact C-O 3.44Å; D175-I198 VanDerWaalsContact CA-O 3.27Å; D175-I198 WeakPolarHBondContact CA-O 3.35Å; P176-I198 WeakPolarHBondContact CD-O 3.37Å; P176-I198 PolarHBondContact O-N 2.99Å; E196-I198 HydrophobicContact CG-CD1 3.66Å; I198-T201 HydrophobicContact CB-CG2 4.1Å; I198-T201 HydrophobicContact CG2-CG2 3.53Å; I198-P204 HydrophobicContact CB-CB 3.98Å; I198-P204 HydrophobicContact CG1-CB 4.06Å; I198-P204 HydrophobicContact CG2-CB 4.29Å; I198-W206 HydrophobicContact CG1-CG 4.43Å
199	K	95.1	Very high	97.1	Very high	156 Å²	156	65.1 Å²	65.1	68%	0.678	32%	0.322	S	S	*	.			trans	-75.5	142.4	-172.1	-61.6	-170.5	177.2	-171.3	0	113.8	D175 T201	D175-K199 WeakPolarHBondContact OD1-CA 3.09Å; K199-T201 PolarHBondContact O-N 3.42Å
200	N	94.6	Very high	97.1	Very high	97 Å²	97	64.7 Å²	64.7	52%	0.519	33%	0.329	S	S	.	.	S	Bend	trans	53.3	51.8	165.9	-170	25	0	0	0	113.4	K173 S174 D175	K173-N200 WeakPolarHBondContact CB-OD1 3.48Å; K173-N200 PolarHBondContact N-OD1 3.21Å; S174-N200 CarbonylContact O-C 3.56Å; S174-N200 WeakPolarHBondContact O-CA 3.35Å; S174-N200 PolarHBondContact O-N 3.05Å; D175-N200 PolarHBondContact OD1-N 3.22Å
201	T	96.9	Very high	97.1	Very high	25 Å²	25	61.2 Å²	61.2	15%	0.153	31%	0.312	C	S	.	.			trans	-145.2	149.9	178.9	-169.7	0	0	0	0	113.1	S174 P176 I198 K199 D203 P204	S174-T201 PolarHBondContact O-N 3.4Å; P176-T201 WeakPolarHBondContact CD-O 3.3Å; P176-T201 HydrophobicContact CG-CG2 4.06Å; I198-T201 HydrophobicContact CB-CG2 4.1Å; I198-T201 HydrophobicContact CG2-CG2 3.53Å; K199-T201 PolarHBondContact O-N 3.42Å; T201-D203 PolarHBondContact OG1-N 3.24Å; T201-D203 VanDerWaalsContact OG1-N 3.1Å; T201-P204 HydrophobicContact CG2-CB 3.79Å
202	L	96.9	Very high	96.9	Very high	35 Å²	35	60 Å²	60	18%	0.183	31%	0.309	C	S	.	.	S	Bend	trans	-106.2	-2.2	169.3	-53.7	-177.5	0	0	0	111.7	R163 K164 L165 K167 K173 P204	R163-L202 CarbonylContact C-O 3.53Å; K164-L202 PolarHBondContact N-O 3.36Å; K164-L202 VanDerWaalsContact N-O 3.12Å; L165-L202 WeakPolarHBondContact CB-O 3.38Å; L165-L202 WeakPolarHBondContact CG-O 3.39Å; L165-L202 PolarHBondContact N-O 2.64Å; L165-L202 WeakPolarHBondContact O-CB 3.25Å; L165-L202 WeakPolarHBondContact O-CD1 3.23Å; L165-L202 WeakPolarHBondContact O-CD2 3.28Å; K167-L202 HydrophobicContact CB-CD1 4.35Å; K167-L202 HydrophobicContact CB-CD2 4.08Å; K173-L202 HydrophobicContact CB-CD2 3.88Å; K173-L202 HydrophobicContact CB-CG 4.09Å; K173-L202 HydrophobicContact CD-CG 4.13Å; K173-L202 HydrophobicContact CG-CD2 4.37Å; K173-L202 HydrophobicContact CG-CG 4.09Å; L202-P204 VanDerWaalsContact C-CD 3.41Å
203	D	98.3	Very high	96.7	Very high	78 Å²	78	58.2 Å²	58.2	42%	0.417	30%	0.299	S	S	.	.	S	Bend	trans	-130.7	59.9	-177.4	-53.8	-80.1	0	0	0	109.1	G162 R163 K164 T201	G162-D203 CarbonylContact O-C 3.56Å; G162-D203 VanDerWaalsContact O-CA 3.22Å; G162-D203 WeakPolarHBondContact O-CA 3.2Å; R163-D203 VanDerWaalsContact CA-OD1 3.3Å; R163-D203 WeakPolarHBondContact CA-OD1 3.4Å; K164-D203 PolarHBondContact N-OD1 3.4Å; T201-D203 PolarHBondContact OG1-N 3.24Å; T201-D203 VanDerWaalsContact OG1-N 3.1Å
204	P	98.2	Very high	96.4	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.006	31%	0.308	C	S	.	.			trans	-67.1	148.3	-175.4	29.4	-37.6	0	0	0	112	S161 G162 L165 P176 I198 T201 L202 W206	S161-P204 CarbonylContact C-O 3.46Å; S161-P204 WeakPolarHBondContact CA-O 3.41Å; S161-P204 WeakPolarHBondContact CB-O 3.3Å; G162-P204 PolarHBondContact N-O 2.71Å; L165-P204 HydrophobicContact CD1-CG 3.65Å; P176-P204 HydrophobicContact CB-CG 4.15Å; P176-P204 HydrophobicContact CG-CB 3.73Å; P176-P204 HydrophobicContact CG-CG 3.53Å; I198-P204 HydrophobicContact CB-CB 3.98Å; I198-P204 HydrophobicContact CG1-CB 4.06Å; I198-P204 HydrophobicContact CG2-CB 4.29Å; T201-P204 HydrophobicContact CG2-CB 3.79Å; L202-P204 VanDerWaalsContact C-CD 3.41Å; P204-W206 HydrophobicContact CB-CD2 4.35Å; P204-W206 HydrophobicContact CB-CH2 4.21Å; P204-W206 HydrophobicContact CB-CZ2 3.81Å; P204-W206 HydrophobicContact CG-CD2 4.5Å; P204-W206 HydrophobicContact CG-CH2 3.37Å; P204-W206 HydrophobicContact CG-CZ2 3.32Å; P204-W206 HydrophobicContact CG-CZ3 3.99Å
205	V	98.2	Very high	96	Very high	88 Å²	88	55.9 Å²	55.9	53%	0.533	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-120.4	110.5	165.7	-178.5	0	0	0	0	106.4
206	W	98.4	Very high	95.8	Very high	4 Å²	4	55.5 Å²	55.5	2%	0.015	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-85.8	154.2	178.3	-60.2	-78.7	0	0	0	110.5	L160 S161 G162 L165 P176 L178 T195 E196 I198 P204 I282	L160-W206 HydrophobicContact CB-CE3 4.09Å; L160-W206 HydrophobicContact CB-CZ3 4.49Å; L160-W206 PolarHBondContact O-N 3.14Å; S161-W206 VanDerWaalsContact C-CZ3 3.46Å; G162-W206 VanDerWaalsContact N-CZ3 3.3Å; L165-W206 HydrophobicContact CD1-CH2 4.46Å; P176-W206 HydrophobicContact CB-CZ2 4.18Å; P176-W206 PolarHBondContact O-NE1 2.89Å; P176-W206 VanDerWaalsContact O-NE1 3.17Å; L178-W206 HydrophobicContact CD1-CD2 4.33Å; L178-W206 HydrophobicContact CD1-CE3 3.86Å; L178-W206 HydrophobicContact CD1-CH2 3.84Å; L178-W206 HydrophobicContact CD1-CZ2 4.31Å; L178-W206 HydrophobicContact CD1-CZ3 3.58Å; L178-W206 HydrophobicContact CD2-CH2 3.87Å; L178-W206 HydrophobicContact CD2-CZ2 4.16Å; L178-W206 HydrophobicContact CD2-CZ3 4.45Å; L178-W206 HydrophobicContact CG-CD2 4.4Å; L178-W206 HydrophobicContact CG-CE3 4.32Å; L178-W206 HydrophobicContact CG-CH2 3.69Å; L178-W206 HydrophobicContact CG-CZ2 3.78Å; L178-W206 HydrophobicContact CG-CZ3 3.98Å; T195-W206 HydrophobicContact CG2-CB 4.37Å; T195-W206 HydrophobicContact CG2-CG 4.28Å; T195-W206 PolarHBondContact OG1-NE1 3.36Å; E196-W206 PolarHBondContact O-NE1 3.31Å; E196-W206 WeakPolarHBondContact OE1-CA 3.47Å; I198-W206 HydrophobicContact CG1-CG 4.43Å; P204-W206 HydrophobicContact CB-CD2 4.35Å; P204-W206 HydrophobicContact CB-CH2 4.21Å; P204-W206 HydrophobicContact CB-CZ2 3.81Å; P204-W206 HydrophobicContact CG-CD2 4.5Å; P204-W206 HydrophobicContact CG-CH2 3.37Å; P204-W206 HydrophobicContact CG-CZ2 3.32Å; P204-W206 HydrophobicContact CG-CZ3 3.99Å; W206-I282 HydrophobicContact CH2-CD1 3.83Å; W206-I282 HydrophobicContact CZ3-CD1 4.15Å
207	K	98	Very high	95.5	Very high	152 Å²	152	52.5 Å²	52.5	66%	0.661	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-61.2	143	172.2	-73.4	174.3	-175.6	-178.7	0	109.7	E196	E196-K207 WeakPolarHBondContact OE1-CG 3.47Å; E196-K207 PolarHBondContact OE1-N 3.14Å
208	P	97.4	Very high	95	Very high	82 Å²	82	52.9 Å²	52.9	53%	0.532	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-56.1	142.5	168	-22.1	32.9	0	0	0	110.5	L158 T159	L158-P208 VanDerWaalsContact O-CA 3.3Å; L158-P208 WeakPolarHBondContact O-CA 3.15Å; T159-P208 HydrophobicContact CG2-CG 4.31Å
209	F	97.3	Very high	94.3	Very high	17 Å²	17	51.6 Å²	51.6	8%	0.075	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.3	174.6	70.3	-94.8	0	0	0	110.7	T157 L158 L160 F180 H193 T195 V211	T157-F209 VanDerWaalsContact CA-O 3.32Å; T157-F209 WeakPolarHBondContact CA-O 3.3Å; L158-F209 HydrophobicContact CB-CE1 4.09Å; L158-F209 HydrophobicContact CB-CE2 4.39Å; L158-F209 HydrophobicContact CB-CZ 3.97Å; L158-F209 HydrophobicContact CD1-CE2 4.03Å; L158-F209 HydrophobicContact CD1-CZ 3.68Å; L158-F209 HydrophobicContact CG-CE2 4.49Å; L158-F209 HydrophobicContact CG-CZ 4.3Å; L158-F209 PolarHBondContact N-O 3.14Å; L158-F209 PolarHBondContact O-N 2.79Å; L160-F209 HydrophobicContact CD1-CD1 4.46Å; L160-F209 HydrophobicContact CD1-CE1 3.6Å; L160-F209 HydrophobicContact CD1-CZ 4.29Å; F180-F209 HydrophobicContact CD1-CZ 4.38Å; F180-F209 HydrophobicContact CD2-CE1 4.35Å; F180-F209 AromaticContact CD2-CZ 3.81Å; F180-F209 HydrophobicContact CD2-CZ 3.81Å; F180-F209 HydrophobicContact CE1-CZ 4.06Å; F180-F209 AromaticContact CE2-CE1 3.67Å; F180-F209 HydrophobicContact CE2-CE1 3.67Å; F180-F209 AromaticContact CE2-CZ 3.45Å; F180-F209 HydrophobicContact CE2-CZ 3.45Å; F180-F209 VanDerWaalsContact CE2-CZ 3.45Å; F180-F209 HydrophobicContact CG-CZ 4.28Å; F180-F209 AromaticContact CZ-CE1 3.93Å; F180-F209 HydrophobicContact CZ-CE1 3.93Å; F180-F209 AromaticContact CZ-CZ 3.6Å; F180-F209 HydrophobicContact CZ-CZ 3.6Å; H193-F209 HydrophobicContact CB-CE2 4.33Å; H193-F209 AromaticContact CD2-CD1 3.78Å; H193-F209 AromaticContact CD2-CD2 3.45Å; H193-F209 VanDerWaalsContact CD2-CD2 3.45Å; H193-F209 WeakPolarHBondContact CD2-CD2 3.32Å; H193-F209 AromaticContact CD2-CE1 3.85Å; H193-F209 AromaticContact CD2-CE2 3.54Å; H193-F209 AromaticContact CD2-CG 3.57Å; H193-F209 AromaticContact CD2-CZ 3.73Å; H193-F209 AromaticContact CE1-CD2 3.95Å; H193-F209 AromaticContact CE1-CG 3.86Å; H193-F209 AromaticContact CG-CD2 3.82Å; H193-F209 AromaticContact CG-CE2 3.91Å; H193-F209 AromaticContact NE2-CD1 3.59Å; H193-F209 AromaticContact NE2-CD2 3.57Å; H193-F209 AromaticContact NE2-CG 3.26Å; H193-F209 VanDerWaalsContact NE2-CG 3.26Å; H193-F209 WeakPolarHBondContact NE2-CG 3.47Å; T195-F209 HydrophobicContact CG2-CD1 4.31Å; T195-F209 HydrophobicContact CG2-CE1 4.17Å; F209-V211 HydrophobicContact CD2-CG1 4.1Å; F209-V211 HydrophobicContact CE2-CG1 4.32Å; F209-V211 HydrophobicContact CE2-CG2 4.37Å
210	T	95.6	Very high	94.1	Very high	74 Å²	74	47.6 Å²	47.6	45%	0.454	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	133.8	-180	-56.7	0	0	0	0	109	I155 I156 T157	I155-T210 HydrophobicContact CB-CG2 3.83Å; I155-T210 HydrophobicContact CD1-CG2 3.77Å; I155-T210 HydrophobicContact CG1-CG2 4.27Å; I155-T210 HydrophobicContact CG2-CG2 4.38Å; I156-T210 VanDerWaalsContact O-CA 3.31Å; I156-T210 WeakPolarHBondContact O-CA 3.4Å; T157-T210 PolarHBondContact OG1-OG1 3.28Å
211	V	94.6	Very high	94.1	Very high	12 Å²	12	45 Å²	45	7%	0.073	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	153.4	173.7	-67.6	0	0	0	0	110.5	I155 I156 H193 F209 L213 L216	I155-V211 WeakPolarHBondContact CA-O 3.24Å; I156-V211 HydrophobicContact CG2-CG2 3.62Å; I156-V211 PolarHBondContact N-O 3.11Å; I156-V211 PolarHBondContact O-N 3.03Å; H193-V211 HydrophobicContact CB-CG1 4.07Å; F209-V211 HydrophobicContact CD2-CG1 4.1Å; F209-V211 HydrophobicContact CE2-CG1 4.32Å; F209-V211 HydrophobicContact CE2-CG2 4.37Å; V211-L213 PolarHBondContact O-N 3Å; V211-L216 HydrophobicContact CG2-CB 4.16Å; V211-L216 HydrophobicContact CG2-CD2 4.36Å
212	P	92.8	Very high	94	Very high	60 Å²	60	49.4 Å²	49.4	39%	0.39	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	136.4	169.1	-21	32.5	0	0	0	110.7	I214 S215 L216	P212-I214 VanDerWaalsContact C-N 3.25Å; P212-I214 HydrophobicContact CB-CG2 4.09Å; P212-I214 PolarHBondContact O-N 3.25Å; P212-S215 WeakPolarHBondContact O-CB 3.41Å; P212-S215 PolarHBondContact O-N 2.99Å; P212-L216 PolarHBondContact O-N 2.68Å
213	L	91.9	Very high	93.9	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.2	-37.6	-179.4	-170	68.9	0	0	0	111	R154 I156 V211 S215 L216 C217 V221 V248	R154-L213 HydrophobicContact CB-CB 4.04Å; R154-L213 HydrophobicContact CB-CD2 3.89Å; R154-L213 VanDerWaalsContact CZ-CD2 3.42Å; R154-L213 VanDerWaalsContact O-CB 3.23Å; R154-L213 WeakPolarHBondContact O-CB 3.2Å; R154-L213 PolarHBondContact O-N 2.84Å; I156-L213 HydrophobicContact CB-CD1 4.2Å; I156-L213 HydrophobicContact CD1-CD1 4.43Å; I156-L213 HydrophobicContact CG2-CD1 4.26Å; V211-L213 PolarHBondContact O-N 3Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 3.07Å; L213-L216 PolarHBondContact O-N 3.33Å; L213-L216 VanDerWaalsContact O-N 3.13Å; L213-C217 PolarHBondContact O-N 3.42Å; L213-C217 PolarHBondContact O-SG 3.28Å; L213-C217 VanDerWaalsContact O-SG 3.4Å; L213-V221 HydrophobicContact CD2-CG1 4.41Å; L213-V248 HydrophobicContact CD1-CG1 4.06Å; L213-V248 HydrophobicContact CD1-CG2 3.91Å
214	I	90.4	Very high	93.7	Very high	82 Å²	82	52.2 Å²	52.2	42%	0.421	28%	0.282	S	S	.	.	H	α-helix	trans	-61.6	-34	173.5	-161.4	167.3	0	0	0	112.9	K182 P212 N218	K182-I214 PolarHBondContact NZ-O 3.35Å; P212-I214 VanDerWaalsContact C-N 3.25Å; P212-I214 HydrophobicContact CB-CG2 4.09Å; P212-I214 PolarHBondContact O-N 3.25Å; I214-N218 WeakPolarHBondContact O-CA 3.5Å; I214-N218 PolarHBondContact O-N 3.5Å; I214-N218 PolarHBondContact O-OD1 2.94Å
215	S	91.4	Very high	93.7	Very high	44 Å²	44	52.2 Å²	52.2	31%	0.308	28%	0.282	S	S	.	.	H	α-helix	trans	-70.1	-34.8	175.6	-60.3	0	0	0	0	111.7	K182 V192 P212 L213	K182-S215 WeakPolarHBondContact CD-O 3.28Å; K182-S215 WeakPolarHBondContact CE-O 3.16Å; K182-S215 PolarHBondContact NZ-O 3.16Å; V192-S215 WeakPolarHBondContact CG1-O 3.19Å; V192-S215 WeakPolarHBondContact CG2-O 3.49Å; P212-S215 WeakPolarHBondContact O-CB 3.41Å; P212-S215 PolarHBondContact O-N 2.99Å; L213-S215 VanDerWaalsContact C-N 3.28Å; L213-S215 PolarHBondContact O-N 3.07Å
216	L	93.1	Very high	93.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-82.6	-41.1	-177.2	-171.8	64.8	0	0	0	113.7	I156 F180 K182 V192 V211 P212 L213 I225 V248 M251	I156-L216 HydrophobicContact CD1-CD2 4.08Å; I156-L216 HydrophobicContact CG2-CD2 3.69Å; F180-L216 HydrophobicContact CB-CD1 4.23Å; F180-L216 HydrophobicContact CD1-CD1 4.41Å; K182-L216 VanDerWaalsContact CB-O 3.24Å; K182-L216 WeakPolarHBondContact CB-O 3.24Å; V192-L216 HydrophobicContact CB-CD1 4.49Å; V192-L216 HydrophobicContact CG1-CD1 4.25Å; V211-L216 HydrophobicContact CG2-CB 4.16Å; V211-L216 HydrophobicContact CG2-CD2 4.36Å; P212-L216 PolarHBondContact O-N 2.68Å; L213-L216 PolarHBondContact O-N 3.33Å; L213-L216 VanDerWaalsContact O-N 3.13Å; L216-I225 HydrophobicContact CD1-CD1 4.29Å; L216-I225 HydrophobicContact CD1-CG1 4.48Å; L216-I225 HydrophobicContact CD1-CG2 4.08Å; L216-I225 HydrophobicContact CD2-CD1 3.85Å; L216-I225 HydrophobicContact CG-CD1 3.67Å; L216-I225 HydrophobicContact CG-CG1 4.21Å; L216-V248 HydrophobicContact CD2-CG2 4.35Å; L216-M251 HydrophobicContact CD2-CE 4.32Å
217	C	91.6	Very high	93.7	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.014	26%	0.263	C	S	.	.	H	α-helix	trans	-144.1	18.5	-173	67.9	0	0	0	0	114.1	L213 G219 D220 R223 I225 V248	L213-C217 PolarHBondContact O-N 3.42Å; L213-C217 PolarHBondContact O-SG 3.28Å; L213-C217 VanDerWaalsContact O-SG 3.4Å; C217-G219 PolarHBondContact O-N 2.94Å; C217-D220 VanDerWaalsContact CB-O 3.3Å; C217-D220 WeakPolarHBondContact CB-O 3.49Å; C217-D220 PolarHBondContact O-N 2.83Å; C217-D220 PolarHBondContact SG-O 3.26Å; C217-R223 HydrophobicContact CB-CB 4.23Å; C217-R223 WeakPolarHBondContact O-CD 3.26Å; C217-I225 HydrophobicContact CB-CD1 4.19Å; C217-I225 HydrophobicContact CB-CG1 4.4Å; C217-V248 HydrophobicContact CB-CG2 4.27Å
218	N	86.4	Confident	93.7	Very high	58 Å²	58	42.9 Å²	42.9	31%	0.31	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	29.6	-175.9	-56.6	-23.2	0	0	0	113.3	K182 I214 D220 R223	K182-N218 PolarHBondContact NZ-OD1 3.12Å; I214-N218 WeakPolarHBondContact O-CA 3.5Å; I214-N218 PolarHBondContact O-N 3.5Å; I214-N218 PolarHBondContact O-OD1 2.94Å; N218-D220 PolarHBondContact O-N 2.79Å; N218-R223 PolarHBondContact ND2-NH1 2.73Å
219	G	84.4	Confident	93.8	Very high	17 Å²	17	39.1 Å²	39.1	18%	0.175	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-11.2	179.1	0	0	0	0	0	114.8	D152 R154 C217	D152-G219 WeakPolarHBondContact OD2-CA 3.33Å; R154-G219 PolarHBondContact NH2-O 2.53Å; C217-G219 PolarHBondContact O-N 2.94Å
220	D	89.9	Confident	93.8	Very high	71 Å²	71	40.7 Å²	40.7	38%	0.38	22%	0.216	S	C	.	.			trans	-89.4	109.8	177.5	-179.1	-8.3	0	0	0	110	C217 N218 E222 R223	C217-D220 VanDerWaalsContact CB-O 3.3Å; C217-D220 WeakPolarHBondContact CB-O 3.49Å; C217-D220 PolarHBondContact O-N 2.83Å; C217-D220 PolarHBondContact SG-O 3.26Å; N218-D220 PolarHBondContact O-N 2.79Å; D220-E222 PolarHBondContact O-N 2.84Å; D220-E222 PolarHBondContact OD1-N 3.33Å; D220-R223 HydrophobicContact CB-CB 4.43Å; D220-R223 HydrophobicContact CB-CG 3.86Å; D220-R223 PolarHBondContact O-N 2.93Å; D220-R223 IonicContact OD2-NE 3.38Å
221	V	93.8	Very high	93.7	Very high	43 Å²	43	37.2 Å²	37.2	26%	0.261	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.4	-174.3	-64.1	0	0	0	0	113.8	L213 T247 V248 S249	L213-V221 HydrophobicContact CD2-CG1 4.41Å; V221-T247 WeakPolarHBondContact O-CB 3.22Å; V221-V248 HydrophobicContact CB-CB 3.97Å; V221-V248 HydrophobicContact CB-CG1 4.24Å; V221-V248 HydrophobicContact CG1-CB 4.16Å; V221-V248 HydrophobicContact CG1-CG1 3.99Å; V221-V248 PolarHBondContact O-N 3.03Å; V221-S249 WeakPolarHBondContact CG2-OG 3.36Å; V221-S249 PolarHBondContact O-N 2.58Å; V221-S249 VanDerWaalsContact O-N 3.11Å; V221-S249 PolarHBondContact O-OG 3.31Å
222	E	95.4	Very high	93.7	Very high	117 Å²	117	40.5 Å²	40.5	55%	0.547	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-6.3	177.8	-62.4	-56.4	148.4	0	0	113.2	D220 T247 S249	D220-E222 PolarHBondContact O-N 2.84Å; D220-E222 PolarHBondContact OD1-N 3.33Å; E222-T247 VanDerWaalsContact O-CG2 3.26Å; E222-T247 WeakPolarHBondContact O-CG2 3.31Å; E222-S249 WeakPolarHBondContact OE1-CB 3.44Å; E222-S249 PolarHBondContact OE1-OG 3.25Å
223	R	94.1	Very high	93.4	Very high	99 Å²	99	39.3 Å²	39.3	37%	0.374	20%	0.197	S	C	.	.	S	Bend	trans	-67.6	139.8	177.4	-84.2	-176.6	-178.4	-132.5	5.7	111.9	C217 N218 D220 I225	C217-R223 HydrophobicContact CB-CB 4.23Å; C217-R223 WeakPolarHBondContact O-CD 3.26Å; N218-R223 PolarHBondContact ND2-NH1 2.73Å; D220-R223 HydrophobicContact CB-CB 4.43Å; D220-R223 HydrophobicContact CB-CG 3.86Å; D220-R223 PolarHBondContact O-N 2.93Å; D220-R223 IonicContact OD2-NE 3.38Å; R223-I225 PolarHBondContact O-N 2.9Å
224	N	95.4	Very high	92.7	Very high	74 Å²	74	46.3 Å²	46.3	40%	0.396	23%	0.234	S	C	.	.			trans	-66	131	177.4	-78.2	-19.9	0	0	0	111.5	W189	W189-N224 HydrophobicContact CH2-CB 4.21Å
225	I	97.6	Very high	92.2	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	127.4	172.8	-64.5	158.3	0	0	0	106.9	F180 L216 C217 R223 V227 Q245 T246 V248 M251	F180-I225 HydrophobicContact CD1-CG2 4.29Å; L216-I225 HydrophobicContact CD1-CD1 4.29Å; L216-I225 HydrophobicContact CD1-CG1 4.48Å; L216-I225 HydrophobicContact CD1-CG2 4.08Å; L216-I225 HydrophobicContact CD2-CD1 3.85Å; L216-I225 HydrophobicContact CG-CD1 3.67Å; L216-I225 HydrophobicContact CG-CG1 4.21Å; C217-I225 HydrophobicContact CB-CD1 4.19Å; C217-I225 HydrophobicContact CB-CG1 4.4Å; R223-I225 PolarHBondContact O-N 2.9Å; I225-V227 HydrophobicContact CG2-CG2 4.28Å; I225-Q245 CarbonylContact O-C 3.42Å; I225-Q245 VanDerWaalsContact O-CA 3.26Å; I225-Q245 WeakPolarHBondContact O-CA 3.35Å; I225-T246 HydrophobicContact CB-CG2 4.41Å; I225-T246 PolarHBondContact N-O 3.46Å; I225-T246 PolarHBondContact O-N 2.95Å; I225-V248 HydrophobicContact CD1-CG2 3.71Å; I225-M251 HydrophobicContact CD1-CE 3.25Å; I225-M251 HydrophobicContact CG1-CE 4.48Å
226	K	98.1	Very high	91.2	Very high	34 Å²	34	49.3 Å²	49.3	15%	0.148	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	127.4	177	-171.2	178.4	-166.1	-165.3	0	109.5	H181 W189 L228 E243 Q245	H181-K226 HydrophobicContact CB-CB 4.3Å; H181-K226 PolarHBondContact N-O 3.37Å; H181-K226 PolarHBondContact O-N 3.24Å; W189-K226 HydrophobicContact CD2-CB 3.9Å; W189-K226 HydrophobicContact CD2-CD 4Å; W189-K226 HydrophobicContact CE3-CB 3.56Å; W189-K226 HydrophobicContact CG-CD 4.26Å; W189-K226 HydrophobicContact CH2-CB 3.76Å; W189-K226 HydrophobicContact CZ2-CB 4.07Å; W189-K226 HydrophobicContact CZ2-CD 4.31Å; W189-K226 HydrophobicContact CZ3-CB 3.48Å; W189-K226 VanDerWaalsContact CZ3-CB 3.48Å; K226-L228 HydrophobicContact CD-CD2 3.95Å; K226-L228 HydrophobicContact CG-CD2 3.96Å; K226-E243 WeakPolarHBondContact CE-OE2 3.35Å; K226-E243 IonicContact NZ-OE1 3.17Å; K226-E243 PolarHBondContact NZ-OE1 3.11Å; K226-E243 IonicContact NZ-OE2 2.81Å; K226-E243 PolarHBondContact NZ-OE2 3.28Å; K226-Q245 HydrophobicContact CB-CG 4.31Å; K226-Q245 HydrophobicContact CG-CG 4.23Å
227	V	98.4	Very high	90.5	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	124.6	177.1	-173.9	0	0	0	0	108.7	L178 E179 F180 I225 E243 F244	L178-V227 HydrophobicContact CB-CG1 4.35Å; L178-V227 HydrophobicContact CD1-CG1 4.46Å; L178-V227 HydrophobicContact CD2-CG1 4.27Å; E179-V227 WeakPolarHBondContact O-CA 3.45Å; F180-V227 HydrophobicContact CD1-CG2 3.66Å; F180-V227 HydrophobicContact CE1-CG1 4.33Å; F180-V227 HydrophobicContact CE1-CG2 3.67Å; F180-V227 HydrophobicContact CE2-CG1 4.4Å; F180-V227 HydrophobicContact CG-CG2 4.37Å; F180-V227 HydrophobicContact CZ-CG1 4.22Å; F180-V227 HydrophobicContact CZ-CG2 4.37Å; I225-V227 HydrophobicContact CG2-CG2 4.28Å; V227-E243 VanDerWaalsContact O-CA 3.24Å; V227-E243 WeakPolarHBondContact O-CA 3.38Å; V227-F244 HydrophobicContact CB-CD1 3.97Å; V227-F244 HydrophobicContact CB-CD2 4.4Å; V227-F244 HydrophobicContact CB-CE1 3.46Å; V227-F244 VanDerWaalsContact CB-CE1 3.46Å; V227-F244 HydrophobicContact CB-CE2 3.95Å; V227-F244 HydrophobicContact CB-CG 4.42Å; V227-F244 HydrophobicContact CB-CZ 3.46Å; V227-F244 VanDerWaalsContact CB-CZ 3.46Å; V227-F244 HydrophobicContact CG1-CD1 4.38Å; V227-F244 HydrophobicContact CG1-CE1 3.53Å; V227-F244 HydrophobicContact CG1-CZ 3.69Å; V227-F244 HydrophobicContact CG2-CD2 4.49Å; V227-F244 HydrophobicContact CG2-CE1 4.16Å; V227-F244 HydrophobicContact CG2-CE2 3.79Å; V227-F244 HydrophobicContact CG2-CZ 3.6Å; V227-F244 PolarHBondContact N-O 3.35Å; V227-F244 PolarHBondContact O-N 3.2Å
228	L	98.5	Very high	90.3	Very high	15 Å²	15	54 Å²	54	8%	0.079	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	138.1	177.5	-49.7	-179.1	0	0	0	109.1	L178 E179 K226 Y230 F240 E243	L178-L228 CarbonylContact C-O 3.59Å; L178-L228 VanDerWaalsContact CA-O 3.29Å; L178-L228 WeakPolarHBondContact CA-O 3.3Å; E179-L228 HydrophobicContact CB-CB 4.33Å; E179-L228 PolarHBondContact N-O 2.8Å; E179-L228 PolarHBondContact O-N 2.86Å; K226-L228 HydrophobicContact CD-CD2 3.95Å; K226-L228 HydrophobicContact CG-CD2 3.96Å; L228-Y230 HydrophobicContact CB-CD2 4.02Å; L228-Y230 HydrophobicContact CB-CE2 3.45Å; L228-Y230 VanDerWaalsContact CB-CE2 3.45Å; L228-Y230 HydrophobicContact CD1-CE2 3.79Å; L228-Y230 HydrophobicContact CG-CE2 4.26Å; L228-F240 HydrophobicContact CB-CE2 4.43Å; L228-F240 HydrophobicContact CD2-CE2 4.26Å; L228-E243 HydrophobicContact CD2-CB 3.62Å
229	C	98.4	Very high	90.6	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.014	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127	173	-173.6	0	0	0	0	109.3	Y177 L178 I241 G242	Y177-C229 WeakPolarHBondContact O-CA 3.39Å; L178-C229 HydrophobicContact CD2-CB 3.66Å; C229-I241 HydrophobicContact CB-CB 4.29Å; C229-I241 WeakPolarHBondContact O-CA 3.39Å; C229-I241 WeakPolarHBondContact O-CB 3.49Å; C229-I241 PolarHBondContact O-N 3.44Å; C229-G242 PolarHBondContact N-O 3.1Å; C229-G242 PolarHBondContact O-N 3.3Å
230	Y	97.7	Very high	91.1	Very high	51 Å²	51	55.7 Å²	55.7	20%	0.2	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	154.8	-177.6	-74.2	-85	0	0	0	110.6	P176 Y177 E179 L228 H238 F240	P176-Y230 VanDerWaalsContact CA-O 3.25Å; P176-Y230 WeakPolarHBondContact CA-O 3.47Å; Y177-Y230 HydrophobicContact CE1-CG 4.43Å; Y177-Y230 HydrophobicContact CE2-CD2 4.2Å; Y177-Y230 HydrophobicContact CE2-CG 4.44Å; Y177-Y230 AromaticContact CZ-CG 3.97Å; Y177-Y230 PolarHBondContact N-O 3.48Å; Y177-Y230 PolarHBondContact O-N 3.36Å; Y177-Y230 WeakPolarHBondContact OH-CB 3.16Å; E179-Y230 HydrophobicContact CG-CD2 4.39Å; L228-Y230 HydrophobicContact CB-CD2 4.02Å; L228-Y230 HydrophobicContact CB-CE2 3.45Å; L228-Y230 VanDerWaalsContact CB-CE2 3.45Å; L228-Y230 HydrophobicContact CD1-CE2 3.79Å; L228-Y230 HydrophobicContact CG-CE2 4.26Å; Y230-H238 HydrophobicContact CD1-CB 4.36Å; Y230-F240 HydrophobicContact CD1-CB 4.12Å; Y230-F240 HydrophobicContact CD1-CD2 4.17Å; Y230-F240 HydrophobicContact CE1-CB 3.85Å; Y230-F240 AromaticContact CE1-CD2 3.68Å; Y230-F240 HydrophobicContact CE1-CD2 3.68Å; Y230-F240 HydrophobicContact CE1-CG 4.25Å; Y230-F240 HydrophobicContact CE2-CD2 4.37Å; Y230-F240 AromaticContact CZ-CD2 3.78Å
231	D	95	Very high	91.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	133	164.1	-170.4	23.9	0	0	0	109.9	K168 S174 D175 D233 H238 D239 I241	K168-D231 HydrophobicContact CB-CB 3.93Å; K168-D231 WeakPolarHBondContact CB-OD2 3.33Å; K168-D231 HydrophobicContact CG-CB 4.03Å; S174-D231 WeakPolarHBondContact CA-OD1 3.11Å; S174-D231 WeakPolarHBondContact CB-OD1 3.27Å; D175-D231 WeakPolarHBondContact CA-OD1 3.31Å; D175-D231 PolarHBondContact N-OD1 3.2Å; D231-D233 PolarHBondContact O-N 3.48Å; D231-H238 CarbonylContact O-C 3.11Å; D231-H238 VanDerWaalsContact O-CA 3.27Å; D231-H238 WeakPolarHBondContact O-CA 3.38Å; D231-H238 VanDerWaalsContact O-CB 3.28Å; D231-H238 WeakPolarHBondContact O-CB 3.41Å; D231-D239 HydrophobicContact CB-CB 3.86Å; D231-D239 WeakPolarHBondContact CB-O 3.48Å; D231-D239 PolarHBondContact N-O 3.17Å; D231-D239 PolarHBondContact O-N 2.91Å; D231-I241 HydrophobicContact CB-CD1 4.23Å; D231-I241 HydrophobicContact CB-CG1 4.32Å
232	Y	92.6	Very high	91.7	Very high	81 Å²	81	50.2 Å²	50.2	32%	0.318	27%	0.267	S	S	.	.			trans	-85.3	110.9	-178.1	177.2	-92	0	0	0	112.2	D175 V197 N234 H238	D175-Y232 PolarHBondContact O-N 3.4Å; V197-Y232 HydrophobicContact CG1-CD1 4.38Å; V197-Y232 HydrophobicContact CG1-CG 4.07Å; V197-Y232 HydrophobicContact CG2-CD2 4Å; V197-Y232 HydrophobicContact CG2-CG 3.97Å; Y232-N234 WeakPolarHBondContact CE1-OD1 3.38Å; Y232-H238 AromaticContact CD2-CE1 3.24Å; Y232-H238 WeakPolarHBondContact CD2-CE1 3.41Å; Y232-H238 AromaticContact CD2-ND1 3.65Å; Y232-H238 AromaticContact CD2-NE2 3.96Å; Y232-H238 AromaticContact CE2-CE1 3.28Å; Y232-H238 WeakPolarHBondContact CE2-CE1 2.96Å; Y232-H238 AromaticContact CE2-NE2 3.96Å
233	D	87	Confident	91.8	Very high	35 Å²	35	47 Å²	47	19%	0.187	25%	0.252	C	S	.	.			trans	-98.4	140.2	167	-60.3	-68.4	0	0	0	113.8	D231 D235 G236 H238 D239	D231-D233 PolarHBondContact O-N 3.48Å; D233-D235 VanDerWaalsContact CB-OD1 3.29Å; D233-D235 WeakPolarHBondContact CB-OD1 3.37Å; D233-D235 PolarHBondContact O-N 2.94Å; D233-G236 PolarHBondContact O-N 3.42Å; D233-H238 PolarHBondContact N-ND1 3.03Å; D233-H238 VanDerWaalsContact N-ND1 3.15Å; D233-H238 PolarHBondContact O-CE1 3.42Å; D233-H238 PolarHBondContact O-ND1 3.39Å; D233-H238 VanDerWaalsContact O-ND1 3.15Å; D233-D239 PolarHBondContact OD2-N 3.46Å; D233-D239 VanDerWaalsContact OD2-N 3.15Å
234	N	77.7	Confident	92	Very high	147 Å²	147	43.3 Å²	43.3	79%	0.786	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-16.1	179.5	-72.1	-54.5	0	0	0	114.2	Y232 G236	Y232-N234 WeakPolarHBondContact CE1-OD1 3.38Å; N234-G236 VanDerWaalsContact C-N 3.3Å
235	D	78.9	Confident	92.1	Very high	135 Å²	135	44.4 Å²	44.4	72%	0.722	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-1.3	179.5	68.3	-2	0	0	0	113.3	D233 G237	D233-D235 VanDerWaalsContact CB-OD1 3.29Å; D233-D235 WeakPolarHBondContact CB-OD1 3.37Å; D233-D235 PolarHBondContact O-N 2.94Å; D235-G237 VanDerWaalsContact C-N 3.27Å; D235-G237 WeakPolarHBondContact OD1-CA 3.42Å; D235-G237 PolarHBondContact OD1-N 3.36Å
236	G	71.7	Confident	92.1	Very high	54 Å²	54	44.8 Å²	44.8	56%	0.557	24%	0.244	S	C	*	.	S	Bend	trans	81.5	-0.6	-177.4	0	0	0	0	0	114.4	D233 N234 H238	D233-G236 PolarHBondContact O-N 3.42Å; N234-G236 VanDerWaalsContact C-N 3.3Å; G236-H238 PolarHBondContact O-N 2.84Å
237	G	78.7	Confident	92.1	Very high	49 Å²	49	44 Å²	44	51%	0.505	24%	0.242	S	C	.	.			trans	-85.4	36.2	178.7	0	0	0	0	0	114.3	D235 D239	D235-G237 VanDerWaalsContact C-N 3.27Å; D235-G237 WeakPolarHBondContact OD1-CA 3.42Å; D235-G237 PolarHBondContact OD1-N 3.36Å; G237-D239 PolarHBondContact O-N 2.66Å
238	H	87.7	Confident	92	Very high	53 Å²	53	44 Å²	44	25%	0.245	24%	0.242	C	C	.	.			trans	-42.6	124.4	-169.5	-54.8	-41.6	0	0	0	114.1	Y177 Y230 D231 Y232 D233 G236 F240	Y177-H238 HydrophobicContact CE1-CB 4.44Å; Y177-H238 PolarHBondContact OH-CD2 3.47Å; Y177-H238 VanDerWaalsContact OH-CD2 3.31Å; Y230-H238 HydrophobicContact CD1-CB 4.36Å; D231-H238 CarbonylContact O-C 3.11Å; D231-H238 VanDerWaalsContact O-CA 3.27Å; D231-H238 WeakPolarHBondContact O-CA 3.38Å; D231-H238 VanDerWaalsContact O-CB 3.28Å; D231-H238 WeakPolarHBondContact O-CB 3.41Å; Y232-H238 AromaticContact CD2-CE1 3.24Å; Y232-H238 WeakPolarHBondContact CD2-CE1 3.41Å; Y232-H238 AromaticContact CD2-ND1 3.65Å; Y232-H238 AromaticContact CD2-NE2 3.96Å; Y232-H238 AromaticContact CE2-CE1 3.28Å; Y232-H238 WeakPolarHBondContact CE2-CE1 2.96Å; Y232-H238 AromaticContact CE2-NE2 3.96Å; D233-H238 PolarHBondContact N-ND1 3.03Å; D233-H238 VanDerWaalsContact N-ND1 3.15Å; D233-H238 PolarHBondContact O-CE1 3.42Å; D233-H238 PolarHBondContact O-ND1 3.39Å; D233-H238 VanDerWaalsContact O-ND1 3.15Å; G236-H238 PolarHBondContact O-N 2.84Å; H238-F240 PolarHBondContact O-N 3.27Å
239	D	90.9	Very high	91.9	Very high	63 Å²	63	45.1 Å²	45.1	34%	0.337	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	117.6	-167.5	-140	24.2	0	0	0	112.6	K168 D231 D233 G237 I241	K168-D239 HydrophobicContact CB-CB 4.25Å; K168-D239 WeakPolarHBondContact CD-OD2 3.37Å; K168-D239 HydrophobicContact CG-CB 4.28Å; K168-D239 VanDerWaalsContact NZ-CG 3.35Å; K168-D239 IonicContact NZ-OD1 2.66Å; K168-D239 IonicContact NZ-OD2 3.57Å; K168-D239 PolarHBondContact NZ-OD2 3.02Å; D231-D239 HydrophobicContact CB-CB 3.86Å; D231-D239 WeakPolarHBondContact CB-O 3.48Å; D231-D239 PolarHBondContact N-O 3.17Å; D231-D239 PolarHBondContact O-N 2.91Å; D233-D239 PolarHBondContact OD2-N 3.46Å; D233-D239 VanDerWaalsContact OD2-N 3.15Å; G237-D239 PolarHBondContact O-N 2.66Å; D239-I241 PolarHBondContact O-N 2.84Å
240	F	96.3	Very high	91.8	Very high	46 Å²	46	49 Å²	49	20%	0.202	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	120.3	-176.8	179.8	-108.2	0	0	0	112.3	K168 L228 Y230 H238 G242 E243 N266	K168-F240 WeakPolarHBondContact CE-O 3.48Å; K168-F240 PolarHBondContact NZ-O 2.65Å; L228-F240 HydrophobicContact CB-CE2 4.43Å; L228-F240 HydrophobicContact CD2-CE2 4.26Å; Y230-F240 HydrophobicContact CD1-CB 4.12Å; Y230-F240 HydrophobicContact CD1-CD2 4.17Å; Y230-F240 HydrophobicContact CE1-CB 3.85Å; Y230-F240 AromaticContact CE1-CD2 3.68Å; Y230-F240 HydrophobicContact CE1-CD2 3.68Å; Y230-F240 HydrophobicContact CE1-CG 4.25Å; Y230-F240 HydrophobicContact CE2-CD2 4.37Å; Y230-F240 AromaticContact CZ-CD2 3.78Å; H238-F240 PolarHBondContact O-N 3.27Å; F240-G242 VanDerWaalsContact CE2-O 3.27Å; F240-G242 WeakPolarHBondContact CE2-O 3.27Å; F240-G242 VanDerWaalsContact CZ-CA 3.44Å; F240-G242 WeakPolarHBondContact CZ-O 3.34Å; F240-E243 HydrophobicContact CE2-CB 4.23Å; F240-E243 HydrophobicContact CZ-CB 3.82Å; F240-E243 HydrophobicContact CZ-CG 3.93Å; F240-N266 PolarHBondContact O-ND2 2.82Å
241	I	97.1	Very high	91.7	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-59.7	176.7	-62.6	175.8	0	0	0	109.3	D166 K168 P176 C229 D231 D239 N266 S279	D166-I241 HydrophobicContact CB-CG2 4.43Å; K168-I241 HydrophobicContact CG-CG1 4Å; P176-I241 HydrophobicContact CB-CD1 4.21Å; C229-I241 HydrophobicContact CB-CB 4.29Å; C229-I241 WeakPolarHBondContact O-CA 3.39Å; C229-I241 WeakPolarHBondContact O-CB 3.49Å; C229-I241 PolarHBondContact O-N 3.44Å; D231-I241 HydrophobicContact CB-CD1 4.23Å; D231-I241 HydrophobicContact CB-CG1 4.32Å; D239-I241 PolarHBondContact O-N 2.84Å; I241-N266 VanDerWaalsContact O-CB 3.31Å; I241-N266 WeakPolarHBondContact O-CB 3.19Å; I241-N266 PolarHBondContact O-ND2 3.31Å; I241-S279 WeakPolarHBondContact O-CB 3.26Å; I241-S279 PolarHBondContact O-OG 3.35Å
242	G	97.9	Very high	91.7	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.2	179.9	-179.6	0	0	0	0	0	113.2	C229 F240 C264 I265	C229-G242 PolarHBondContact N-O 3.1Å; C229-G242 PolarHBondContact O-N 3.3Å; F240-G242 VanDerWaalsContact CE2-O 3.27Å; F240-G242 WeakPolarHBondContact CE2-O 3.27Å; F240-G242 VanDerWaalsContact CZ-CA 3.44Å; F240-G242 WeakPolarHBondContact CZ-O 3.34Å; G242-C264 WeakPolarHBondContact CA-SG 3.25Å; G242-I265 CarbonylContact C-O 3.53Å; G242-I265 VanDerWaalsContact CA-O 3.29Å; G242-I265 WeakPolarHBondContact CA-O 3.23Å
243	E	98.4	Very high	91.7	Very high	50 Å²	50	48.9 Å²	48.9	23%	0.234	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	159.6	-179	62	-177.1	-145.5	0	0	111.8	K226 V227 L228 F240 I265 P267	K226-E243 WeakPolarHBondContact CE-OE2 3.35Å; K226-E243 IonicContact NZ-OE1 3.17Å; K226-E243 PolarHBondContact NZ-OE1 3.11Å; K226-E243 IonicContact NZ-OE2 2.81Å; K226-E243 PolarHBondContact NZ-OE2 3.28Å; V227-E243 VanDerWaalsContact O-CA 3.24Å; V227-E243 WeakPolarHBondContact O-CA 3.38Å; L228-E243 HydrophobicContact CD2-CB 3.62Å; F240-E243 HydrophobicContact CE2-CB 4.23Å; F240-E243 HydrophobicContact CZ-CB 3.82Å; F240-E243 HydrophobicContact CZ-CG 3.93Å; E243-I265 PolarHBondContact N-O 2.97Å; E243-I265 PolarHBondContact O-N 3.23Å; E243-P267 HydrophobicContact CG-CG 4.34Å
244	F	98.2	Very high	91.9	Very high	21 Å²	21	47.2 Å²	47.2	9%	0.092	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	166.3	164.6	66.2	-84.3	0	0	0	110.1	V227 T246 F262 I282	V227-F244 HydrophobicContact CB-CD1 3.97Å; V227-F244 HydrophobicContact CB-CD2 4.4Å; V227-F244 HydrophobicContact CB-CE1 3.46Å; V227-F244 VanDerWaalsContact CB-CE1 3.46Å; V227-F244 HydrophobicContact CB-CE2 3.95Å; V227-F244 HydrophobicContact CB-CG 4.42Å; V227-F244 HydrophobicContact CB-CZ 3.46Å; V227-F244 VanDerWaalsContact CB-CZ 3.46Å; V227-F244 HydrophobicContact CG1-CD1 4.38Å; V227-F244 HydrophobicContact CG1-CE1 3.53Å; V227-F244 HydrophobicContact CG1-CZ 3.69Å; V227-F244 HydrophobicContact CG2-CD2 4.49Å; V227-F244 HydrophobicContact CG2-CE1 4.16Å; V227-F244 HydrophobicContact CG2-CE2 3.79Å; V227-F244 HydrophobicContact CG2-CZ 3.6Å; V227-F244 PolarHBondContact N-O 3.35Å; V227-F244 PolarHBondContact O-N 3.2Å; F244-T246 HydrophobicContact CD2-CG2 4.48Å; F244-T246 HydrophobicContact CE2-CG2 4.02Å; F244-F262 HydrophobicContact CB-CB 4.35Å; F244-F262 HydrophobicContact CD1-CB 4.05Å; F244-F262 HydrophobicContact CD2-CB 3.56Å; F244-F262 AromaticContact CD2-CD1 3.69Å; F244-F262 HydrophobicContact CD2-CD1 3.69Å; F244-F262 HydrophobicContact CD2-CD2 4.23Å; F244-F262 HydrophobicContact CD2-CE1 4.46Å; F244-F262 AromaticContact CD2-CG 3.56Å; F244-F262 HydrophobicContact CD2-CG 3.56Å; F244-F262 HydrophobicContact CE1-CB 4.19Å; F244-F262 HydrophobicContact CE2-CB 3.71Å; F244-F262 AromaticContact CE2-CD1 3.84Å; F244-F262 HydrophobicContact CE2-CD1 3.84Å; F244-F262 AromaticContact CE2-CD2 3.6Å; F244-F262 HydrophobicContact CE2-CD2 3.6Å; F244-F262 HydrophobicContact CE2-CE1 4.36Å; F244-F262 HydrophobicContact CE2-CE2 4.15Å; F244-F262 AromaticContact CE2-CG 3.42Å; F244-F262 HydrophobicContact CE2-CG 3.42Å; F244-F262 VanDerWaalsContact CE2-CG 3.42Å; F244-F262 HydrophobicContact CE2-CZ 4.5Å; F244-F262 HydrophobicContact CG-CB 3.73Å; F244-F262 HydrophobicContact CG-CG 4.26Å; F244-F262 HydrophobicContact CZ-CB 4.02Å; F244-F262 AromaticContact CZ-CD2 3.95Å; F244-F262 HydrophobicContact CZ-CD2 3.95Å; F244-F262 HydrophobicContact CZ-CG 4.03Å; F244-I282 HydrophobicContact CD1-CG1 4.37Å; F244-I282 HydrophobicContact CE1-CB 3.78Å; F244-I282 HydrophobicContact CE1-CG1 3.79Å; F244-I282 HydrophobicContact CE1-CG2 3.97Å; F244-I282 HydrophobicContact CZ-CB 4.25Å; F244-I282 HydrophobicContact CZ-CG2 4.07Å
245	Q	97.7	Very high	92.1	Very high	96 Å²	96	45 Å²	45	45%	0.449	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	148.1	169.9	-66.5	-175.4	31.9	0	0	109.6	I225 K226	I225-Q245 CarbonylContact O-C 3.42Å; I225-Q245 VanDerWaalsContact O-CA 3.26Å; I225-Q245 WeakPolarHBondContact O-CA 3.35Å; K226-Q245 HydrophobicContact CB-CG 4.31Å; K226-Q245 HydrophobicContact CG-CG 4.23Å
246	T	97.6	Very high	91.8	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.049	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	177.8	179.5	-168.4	0	0	0	0	110.1	I225 F244 M251 F262	I225-T246 HydrophobicContact CB-CG2 4.41Å; I225-T246 PolarHBondContact N-O 3.46Å; I225-T246 PolarHBondContact O-N 2.95Å; F244-T246 HydrophobicContact CD2-CG2 4.48Å; F244-T246 HydrophobicContact CE2-CG2 4.02Å; T246-M251 HydrophobicContact CG2-CE 3.8Å; T246-M251 HydrophobicContact CG2-CG 3.81Å; T246-M251 HydrophobicContact CG2-SD 3.87Å; T246-F262 HydrophobicContact CG2-CZ 4.44Å; T246-F262 WeakPolarHBondContact OG1-CE1 3.47Å; T246-F262 VanDerWaalsContact OG1-CZ 3.29Å; T246-F262 WeakPolarHBondContact OG1-CZ 3.21Å
247	T	97.6	Very high	92	Very high	19 Å²	19	49.3 Å²	49.3	12%	0.117	27%	0.271	C	S	.	.			trans	-126	163.8	172.2	67	0	0	0	0	109.3	V221 E222 S249 K250 M251	V221-T247 WeakPolarHBondContact O-CB 3.22Å; E222-T247 VanDerWaalsContact O-CG2 3.26Å; E222-T247 WeakPolarHBondContact O-CG2 3.31Å; T247-S249 PolarHBondContact O-N 2.75Å; T247-K250 PolarHBondContact O-N 2.97Å; T247-K250 PolarHBondContact OG1-N 2.92Å; T247-K250 VanDerWaalsContact OG1-N 3.15Å; T247-M251 WeakPolarHBondContact O-CG 3.38Å; T247-M251 PolarHBondContact O-N 3.02Å
248	V	96.1	Very high	92.5	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-63.4	-36.6	174.4	174.6	0	0	0	0	110.6	I156 L213 L216 C217 V221 I225 K250 M251 S252 I289	I156-V248 HydrophobicContact CD1-CG1 3.94Å; I156-V248 HydrophobicContact CD1-CG2 4.17Å; L213-V248 HydrophobicContact CD1-CG1 4.06Å; L213-V248 HydrophobicContact CD1-CG2 3.91Å; L216-V248 HydrophobicContact CD2-CG2 4.35Å; C217-V248 HydrophobicContact CB-CG2 4.27Å; V221-V248 HydrophobicContact CB-CB 3.97Å; V221-V248 HydrophobicContact CB-CG1 4.24Å; V221-V248 HydrophobicContact CG1-CB 4.16Å; V221-V248 HydrophobicContact CG1-CG1 3.99Å; V221-V248 PolarHBondContact O-N 3.03Å; I225-V248 HydrophobicContact CD1-CG2 3.71Å; V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 2.91Å; V248-M251 HydrophobicContact CG2-CE 4.05Å; V248-M251 PolarHBondContact O-N 2.76Å; V248-S252 VanDerWaalsContact O-CB 3.31Å; V248-S252 WeakPolarHBondContact O-CB 3.23Å; V248-S252 PolarHBondContact O-N 3.44Å; V248-S252 PolarHBondContact O-OG 2.88Å; V248-I289 HydrophobicContact CG1-CD1 3.57Å; V248-I289 HydrophobicContact CG1-CG1 4.5Å
249	S	96	Very high	92.8	Very high	37 Å²	37	53 Å²	53	26%	0.259	28%	0.281	S	S	.	.	H	α-helix	trans	-57.4	-46	173.9	-60.6	0	0	0	0	111.9	V221 E222 T247 S252	V221-S249 WeakPolarHBondContact CG2-OG 3.36Å; V221-S249 PolarHBondContact O-N 2.58Å; V221-S249 VanDerWaalsContact O-N 3.11Å; V221-S249 PolarHBondContact O-OG 3.31Å; E222-S249 WeakPolarHBondContact OE1-CB 3.44Å; E222-S249 PolarHBondContact OE1-OG 3.25Å; T247-S249 PolarHBondContact O-N 2.75Å; S249-S252 PolarHBondContact O-N 2.83Å
250	K	96.3	Very high	93.1	Very high	84 Å²	84	50.5 Å²	50.5	37%	0.365	27%	0.267	S	S	.	.	H	α-helix	trans	-66.5	-41.9	176.2	-176.7	52.3	169.3	177.6	0	112.4	T247 V248 S252 E253 F262	T247-K250 PolarHBondContact O-N 2.97Å; T247-K250 PolarHBondContact OG1-N 2.92Å; T247-K250 VanDerWaalsContact OG1-N 3.15Å; V248-K250 VanDerWaalsContact C-N 3.34Å; V248-K250 PolarHBondContact O-N 2.91Å; K250-S252 VanDerWaalsContact C-N 3.25Å; K250-S252 PolarHBondContact O-N 3.45Å; K250-E253 HydrophobicContact CD-CG 4.46Å; K250-E253 WeakPolarHBondContact CD-OE1 2.87Å; K250-E253 IonicContact NZ-OE1 2.98Å; K250-E253 PolarHBondContact NZ-OE1 2.95Å; K250-E253 IonicContact NZ-OE2 2.9Å; K250-E253 PolarHBondContact NZ-OE2 3.12Å; K250-E253 WeakPolarHBondContact O-CB 3.37Å; K250-E253 PolarHBondContact O-N 3.39Å; K250-F262 HydrophobicContact CG-CE1 3.94Å; K250-F262 HydrophobicContact CG-CZ 4.17Å
251	M	96	Very high	93.1	Very high	3 Å²	3	52.8 Å²	52.8	2%	0.015	28%	0.279	C	S	.	.	H	α-helix	trans	-62.5	-34.9	176.2	-73.8	-170.1	-85.2	0	0	112.1	L158 L216 I225 T246 T247 V248 E253 A254 F262 L284 C287	L158-M251 HydrophobicContact CD1-SD 4.08Å; L158-M251 HydrophobicContact CD2-SD 4.31Å; L216-M251 HydrophobicContact CD2-CE 4.32Å; I225-M251 HydrophobicContact CD1-CE 3.25Å; I225-M251 HydrophobicContact CG1-CE 4.48Å; T246-M251 HydrophobicContact CG2-CE 3.8Å; T246-M251 HydrophobicContact CG2-CG 3.81Å; T246-M251 HydrophobicContact CG2-SD 3.87Å; T247-M251 WeakPolarHBondContact O-CG 3.38Å; T247-M251 PolarHBondContact O-N 3.02Å; V248-M251 HydrophobicContact CG2-CE 4.05Å; V248-M251 PolarHBondContact O-N 2.76Å; M251-E253 PolarHBondContact O-N 3.27Å; M251-A254 VanDerWaalsContact O-CB 3.25Å; M251-A254 WeakPolarHBondContact O-CB 3.43Å; M251-A254 PolarHBondContact O-N 3.33Å; M251-F262 HydrophobicContact CG-CZ 4.32Å; M251-L284 HydrophobicContact CB-CD2 3.49Å; M251-L284 VanDerWaalsContact CB-CD2 3.49Å; M251-L284 HydrophobicContact CG-CD2 3.66Å; M251-L284 VanDerWaalsContact O-CD2 3.28Å; M251-L284 WeakPolarHBondContact O-CD2 3.07Å; M251-L284 HydrophobicContact SD-CD2 4.4Å; M251-C287 WeakPolarHBondContact O-CB 3.17Å
252	S	94.4	Very high	93.2	Very high	24 Å²	24	53.7 Å²	53.7	17%	0.168	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-10.6	-179.3	-59.3	0	0	0	0	113.9	V248 S249 K250 A254 Q255	V248-S252 VanDerWaalsContact O-CB 3.31Å; V248-S252 WeakPolarHBondContact O-CB 3.23Å; V248-S252 PolarHBondContact O-N 3.44Å; V248-S252 PolarHBondContact O-OG 2.88Å; S249-S252 PolarHBondContact O-N 2.83Å; K250-S252 VanDerWaalsContact C-N 3.25Å; K250-S252 PolarHBondContact O-N 3.45Å; S252-A254 PolarHBondContact O-N 2.99Å; S252-Q255 VanDerWaalsContact O-CD 3.3Å; S252-Q255 VanDerWaalsContact O-CG 3.25Å; S252-Q255 WeakPolarHBondContact O-CG 3.28Å; S252-Q255 PolarHBondContact O-NE2 2.93Å
253	E	93.6	Very high	93.2	Very high	102 Å²	102	57.9 Å²	57.9	48%	0.477	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-18.5	166.6	-62	176.7	-157.2	0	0	112.2	K250 M251 Q255 V260	K250-E253 HydrophobicContact CD-CG 4.46Å; K250-E253 WeakPolarHBondContact CD-OE1 2.87Å; K250-E253 IonicContact NZ-OE1 2.98Å; K250-E253 PolarHBondContact NZ-OE1 2.95Å; K250-E253 IonicContact NZ-OE2 2.9Å; K250-E253 PolarHBondContact NZ-OE2 3.12Å; K250-E253 WeakPolarHBondContact O-CB 3.37Å; K250-E253 PolarHBondContact O-N 3.39Å; M251-E253 PolarHBondContact O-N 3.27Å; E253-Q255 PolarHBondContact O-N 3.35Å; E253-V260 HydrophobicContact CB-CG2 3.77Å
254	A	91.2	Very high	93.1	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	29%	0.294	C	S	.	.			trans	-77.3	62.9	175.7	0	0	0	0	0	112.2	M251 S252 V258 V260 L284 S286 C287	M251-A254 VanDerWaalsContact O-CB 3.25Å; M251-A254 WeakPolarHBondContact O-CB 3.43Å; M251-A254 PolarHBondContact O-N 3.33Å; S252-A254 PolarHBondContact O-N 2.99Å; A254-V258 CarbonylContact C-O 3.41Å; A254-V258 VanDerWaalsContact CA-O 3.25Å; A254-V258 WeakPolarHBondContact CA-O 3.22Å; A254-V260 HydrophobicContact CB-CB 4.29Å; A254-V260 HydrophobicContact CB-CG2 3.77Å; A254-L284 HydrophobicContact CB-CB 4.37Å; A254-L284 HydrophobicContact CB-CD2 3.83Å; A254-L284 HydrophobicContact CB-CG 3.73Å; A254-S286 WeakPolarHBondContact O-CA 3.34Å; A254-C287 HydrophobicContact CB-CB 4.36Å; A254-C287 PolarHBondContact O-N 3.06Å; A254-C287 VanDerWaalsContact O-N 3.09Å
255	Q	81.4	Confident	93.1	Very high	102 Å²	102	56.3 Å²	56.3	48%	0.477	30%	0.299	S	S	.	.			trans	-122.9	157.7	178.7	-73.1	177.8	5.6	0	0	111.1	S252 E253 S257 V258	S252-Q255 VanDerWaalsContact O-CD 3.3Å; S252-Q255 VanDerWaalsContact O-CG 3.25Å; S252-Q255 WeakPolarHBondContact O-CG 3.28Å; S252-Q255 PolarHBondContact O-NE2 2.93Å; E253-Q255 PolarHBondContact O-N 3.35Å; Q255-S257 VanDerWaalsContact C-N 3.35Å; Q255-S257 PolarHBondContact O-N 3.44Å; Q255-V258 WeakPolarHBondContact O-CB 3.15Å; Q255-V258 PolarHBondContact O-N 3.2Å
256	N	73.4	Confident	93.1	Very high	153 Å²	153	52.1 Å²	52.1	82%	0.818	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	42.4	173	-59.6	-38.3	0	0	0	115.2	V258	N256-V258 PolarHBondContact O-N 2.93Å
257	S	74.8	Confident	93	Very high	125 Å²	125	53.7 Å²	53.7	87%	0.874	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	10.8	-177.9	-39.1	0	0	0	0	115.4	Q255	Q255-S257 VanDerWaalsContact C-N 3.35Å; Q255-S257 PolarHBondContact O-N 3.44Å
258	V	89.2	Confident	92.9	Very high	85 Å²	85	60.5 Å²	60.5	52%	0.515	32%	0.318	S	S	.	.			trans	-82.7	123	166.1	-177.5	0	0	0	0	108	A254 Q255 N256	A254-V258 CarbonylContact C-O 3.41Å; A254-V258 VanDerWaalsContact CA-O 3.25Å; A254-V258 WeakPolarHBondContact CA-O 3.22Å; Q255-V258 WeakPolarHBondContact O-CB 3.15Å; Q255-V258 PolarHBondContact O-N 3.2Å; N256-V258 PolarHBondContact O-N 2.93Å
259	E	94.4	Very high	92.7	Very high	96 Å²	96	62.5 Å²	62.5	45%	0.449	33%	0.327	S	S	.	.			trans	-92.6	141.4	173.8	-61.2	-173.5	151.3	0	0	109.7	I283 L284	E259-I283 HydrophobicContact CB-CG2 3.8Å; E259-I283 HydrophobicContact CG-CG2 4.17Å; E259-I283 WeakPolarHBondContact OE2-CG2 3.34Å; E259-L284 WeakPolarHBondContact CA-O 3.37Å
260	V	96.9	Very high	92.6	Very high	9 Å²	9	66.2 Å²	66.2	6%	0.055	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	123.5	172.1	-179.9	0	0	0	0	108.5	E253 A254 F262 L284	E253-V260 HydrophobicContact CB-CG2 3.77Å; A254-V260 HydrophobicContact CB-CB 4.29Å; A254-V260 HydrophobicContact CB-CG2 3.77Å; V260-F262 HydrophobicContact CB-CE2 4.29Å; V260-F262 HydrophobicContact CB-CZ 4.39Å; V260-F262 HydrophobicContact CG1-CD2 4.42Å; V260-F262 HydrophobicContact CG1-CE1 3.98Å; V260-F262 HydrophobicContact CG1-CE2 3.68Å; V260-F262 HydrophobicContact CG1-CZ 3.42Å; V260-F262 VanDerWaalsContact CG1-CZ 3.42Å; V260-L284 HydrophobicContact CB-CB 4.4Å; V260-L284 PolarHBondContact N-O 3.5Å; V260-L284 PolarHBondContact O-N 2.98Å
261	E	97.5	Very high	92.5	Very high	95 Å²	95	70.9 Å²	70.9	44%	0.444	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	133.7	179.6	-63.3	-163.5	168.8	0	0	111.1	R163 V281 I283	R163-E261 IonicContact CZ-OE1 3.45Å; R163-E261 IonicContact CZ-OE2 2.7Å; R163-E261 IonicContact NH1-OE1 2.87Å; R163-E261 PolarHBondContact NH1-OE1 3.15Å; R163-E261 IonicContact NH2-OE1 3.77Å; R163-E261 PolarHBondContact NH2-OE1 2.9Å; R163-E261 IonicContact NH2-OE2 3.51Å; R163-E261 PolarHBondContact NH2-OE2 2.81Å; E261-V281 HydrophobicContact CB-CG1 3.73Å; E261-V281 HydrophobicContact CG-CG1 4.13Å; E261-I283 HydrophobicContact CG-CG1 4.2Å; E261-I283 HydrophobicContact CG-CG2 4.45Å
262	F	98.2	Very high	92.3	Very high	19 Å²	19	79.3 Å²	79.3	8%	0.083	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	121.4	174.3	-58.2	-78.8	0	0	0	109.7	F244 T246 K250 M251 V260 C264 V281 I282 L284	F244-F262 HydrophobicContact CB-CB 4.35Å; F244-F262 HydrophobicContact CD1-CB 4.05Å; F244-F262 HydrophobicContact CD2-CB 3.56Å; F244-F262 AromaticContact CD2-CD1 3.69Å; F244-F262 HydrophobicContact CD2-CD1 3.69Å; F244-F262 HydrophobicContact CD2-CD2 4.23Å; F244-F262 HydrophobicContact CD2-CE1 4.46Å; F244-F262 AromaticContact CD2-CG 3.56Å; F244-F262 HydrophobicContact CD2-CG 3.56Å; F244-F262 HydrophobicContact CE1-CB 4.19Å; F244-F262 HydrophobicContact CE2-CB 3.71Å; F244-F262 AromaticContact CE2-CD1 3.84Å; F244-F262 HydrophobicContact CE2-CD1 3.84Å; F244-F262 AromaticContact CE2-CD2 3.6Å; F244-F262 HydrophobicContact CE2-CD2 3.6Å; F244-F262 HydrophobicContact CE2-CE1 4.36Å; F244-F262 HydrophobicContact CE2-CE2 4.15Å; F244-F262 AromaticContact CE2-CG 3.42Å; F244-F262 HydrophobicContact CE2-CG 3.42Å; F244-F262 VanDerWaalsContact CE2-CG 3.42Å; F244-F262 HydrophobicContact CE2-CZ 4.5Å; F244-F262 HydrophobicContact CG-CB 3.73Å; F244-F262 HydrophobicContact CG-CG 4.26Å; F244-F262 HydrophobicContact CZ-CB 4.02Å; F244-F262 AromaticContact CZ-CD2 3.95Å; F244-F262 HydrophobicContact CZ-CD2 3.95Å; F244-F262 HydrophobicContact CZ-CG 4.03Å; T246-F262 HydrophobicContact CG2-CZ 4.44Å; T246-F262 WeakPolarHBondContact OG1-CE1 3.47Å; T246-F262 VanDerWaalsContact OG1-CZ 3.29Å; T246-F262 WeakPolarHBondContact OG1-CZ 3.21Å; K250-F262 HydrophobicContact CG-CE1 3.94Å; K250-F262 HydrophobicContact CG-CZ 4.17Å; M251-F262 HydrophobicContact CG-CZ 4.32Å; V260-F262 HydrophobicContact CB-CE2 4.29Å; V260-F262 HydrophobicContact CB-CZ 4.39Å; V260-F262 HydrophobicContact CG1-CD2 4.42Å; V260-F262 HydrophobicContact CG1-CE1 3.98Å; V260-F262 HydrophobicContact CG1-CE2 3.68Å; V260-F262 HydrophobicContact CG1-CZ 3.42Å; V260-F262 VanDerWaalsContact CG1-CZ 3.42Å; F262-C264 PolarHBondContact O-N 2.76Å; F262-V281 WeakPolarHBondContact O-CA 3.27Å; F262-I282 PolarHBondContact N-O 2.67Å; F262-I282 PolarHBondContact O-N 2.84Å; F262-L284 HydrophobicContact CE2-CB 4.09Å; F262-L284 HydrophobicContact CE2-CD2 4.42Å
263	D	98.1	Very high	92.2	Very high	88 Å²	88	84 Å²	84	47%	0.471	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	123	171.9	-81.2	-34.1	0	0	0	110.1	I265 N278	D263-I265 HydrophobicContact CB-CD1 3.9Å; D263-I265 HydrophobicContact CB-CG1 4.38Å; D263-I265 PolarHBondContact O-N 3.3Å; D263-N278 HydrophobicContact CB-CB 4.05Å; D263-N278 PolarHBondContact OD1-ND2 3.26Å
264	C	97.1	Very high	91.9	Very high	0 Å²	0	89.3 Å²	89.3	0%	0	44%	0.436	C	S	.	.			trans	-81.4	107.8	176.1	-167	0	0	0	0	109	G242 F262 Y276 S279 G280 I282	G242-C264 WeakPolarHBondContact CA-SG 3.25Å; F262-C264 PolarHBondContact O-N 2.76Å; C264-Y276 PolarHBondContact O-OH 2.78Å; C264-S279 PolarHBondContact O-N 3.41Å; C264-G280 WeakPolarHBondContact CB-O 3.22Å; C264-G280 PolarHBondContact N-O 3.34Å; C264-I282 HydrophobicContact CB-CG1 4.42Å
265	I	98.2	Very high	91.9	Very high	37 Å²	37	96.9 Å²	96.9	19%	0.19	48%	0.476	C	S	.	.	B	Isolated β-bridge	trans	-102	124.6	-171.8	-58.7	-56.1	0	0	0	111.1	G242 E243 D263 P267 Q270 Y276 K277 N278	G242-I265 CarbonylContact C-O 3.53Å; G242-I265 VanDerWaalsContact CA-O 3.29Å; G242-I265 WeakPolarHBondContact CA-O 3.23Å; E243-I265 PolarHBondContact N-O 2.97Å; E243-I265 PolarHBondContact O-N 3.23Å; D263-I265 HydrophobicContact CB-CD1 3.9Å; D263-I265 HydrophobicContact CB-CG1 4.38Å; D263-I265 PolarHBondContact O-N 3.3Å; I265-P267 WeakPolarHBondContact O-CD 3.07Å; I265-Q270 HydrophobicContact CG2-CB 4.41Å; I265-Y276 WeakPolarHBondContact CA-OH 3.48Å; I265-Y276 HydrophobicContact CD1-CE1 4.18Å; I265-Y276 HydrophobicContact CG2-CE1 4.26Å; I265-K277 WeakPolarHBondContact CD1-O 3.5Å; I265-N278 HydrophobicContact CD1-CB 4.1Å
266	N	97.4	Very high	92.5	Very high	9 Å²	9	93.8 Å²	93.8	5%	0.048	46%	0.46	C	S	.	.			trans	-93.8	108.9	167.9	-169.7	-60.3	0	0	0	109.7	F240 I241 K268 K269 Q270 Y276 S279	F240-N266 PolarHBondContact O-ND2 2.82Å; I241-N266 VanDerWaalsContact O-CB 3.31Å; I241-N266 WeakPolarHBondContact O-CB 3.19Å; I241-N266 PolarHBondContact O-ND2 3.31Å; N266-K268 PolarHBondContact O-N 3.29Å; N266-K268 VanDerWaalsContact O-N 3.16Å; N266-K268 WeakPolarHBondContact OD1-CB 3.35Å; N266-K268 PolarHBondContact OD1-N 3.07Å; N266-K268 VanDerWaalsContact OD1-N 3.13Å; N266-K269 HydrophobicContact CB-CB 4.01Å; N266-K269 HydrophobicContact CB-CD 3.99Å; N266-K269 HydrophobicContact CB-CG 4Å; N266-K269 PolarHBondContact O-N 2.7Å; N266-K269 PolarHBondContact OD1-N 3.23Å; N266-K269 VanDerWaalsContact OD1-N 3.15Å; N266-Q270 PolarHBondContact O-N 2.95Å; N266-Y276 PolarHBondContact N-OH 3.02Å; N266-S279 WeakPolarHBondContact CB-OG 3.37Å
267	P	95.5	Very high	93.5	Very high	41 Å²	41	95 Å²	95	27%	0.266	46%	0.458	S	S	.	.	H	α-helix	trans	-61.7	-30.4	-174.9	-24.9	36	0	0	0	113.1	E243 I265 K271	E243-P267 HydrophobicContact CG-CG 4.34Å; I265-P267 WeakPolarHBondContact O-CD 3.07Å; P267-K271 WeakPolarHBondContact O-CG 3.14Å; P267-K271 PolarHBondContact O-N 2.81Å
268	K	94.4	Very high	94.5	Very high	162 Å²	162	91.3 Å²	91.3	70%	0.704	43%	0.429	S	S	*	.	H	α-helix	trans	-69.4	-40.2	176.5	-64.3	179.4	-179.1	173	0	111.1	N266 K272	N266-K268 PolarHBondContact O-N 3.29Å; N266-K268 VanDerWaalsContact O-N 3.16Å; N266-K268 WeakPolarHBondContact OD1-CB 3.35Å; N266-K268 PolarHBondContact OD1-N 3.07Å; N266-K268 VanDerWaalsContact OD1-N 3.13Å; K268-K272 WeakPolarHBondContact O-CB 3.38Å; K268-K272 VanDerWaalsContact O-CG 3.29Å; K268-K272 WeakPolarHBondContact O-CG 3.47Å; K268-K272 PolarHBondContact O-N 3.15Å
269	K	93.6	Very high	94.9	Very high	42 Å²	42	87.3 Å²	87.3	18%	0.183	40%	0.404	C	S	.	.	H	α-helix	trans	-71.4	-42.1	176.7	-65.7	-179.6	179.8	173.2	0	111.4	D166 N266 K271 K272 K273 Y276	D166-K269 IonicContact OD2-NZ 3.76Å; D166-K269 PolarHBondContact OD2-NZ 3.17Å; N266-K269 HydrophobicContact CB-CB 4.01Å; N266-K269 HydrophobicContact CB-CD 3.99Å; N266-K269 HydrophobicContact CB-CG 4Å; N266-K269 PolarHBondContact O-N 2.7Å; N266-K269 PolarHBondContact OD1-N 3.23Å; N266-K269 VanDerWaalsContact OD1-N 3.15Å; K269-K271 VanDerWaalsContact C-N 3.3Å; K269-K271 PolarHBondContact O-N 2.92Å; K269-K272 PolarHBondContact O-N 3.42Å; K269-K272 VanDerWaalsContact O-N 3.08Å; K269-K273 WeakPolarHBondContact O-CB 2.92Å; K269-K273 PolarHBondContact O-N 2.9Å; K269-Y276 HydrophobicContact CB-CD2 3.69Å; K269-Y276 HydrophobicContact CB-CE2 3.63Å; K269-Y276 HydrophobicContact CB-CG 4.27Å; K269-Y276 HydrophobicContact CD-CD2 4.48Å; K269-Y276 HydrophobicContact CD-CE2 3.99Å; K269-Y276 HydrophobicContact CG-CE2 4.44Å
270	Q	93.3	Very high	95.1	Very high	115 Å²	115	82.8 Å²	82.8	54%	0.537	38%	0.383	S	S	.	.	H	α-helix	trans	-58.1	-41.3	178.2	-168.1	-179.3	38.5	0	0	112.1	I265 N266 Y276	I265-Q270 HydrophobicContact CG2-CB 4.41Å; N266-Q270 PolarHBondContact O-N 2.95Å; Q270-Y276 HydrophobicContact CB-CD1 3.83Å; Q270-Y276 HydrophobicContact CB-CE1 3.99Å; Q270-Y276 HydrophobicContact CG-CD1 4.14Å; Q270-Y276 HydrophobicContact CG-CE1 4.47Å
271	K	93.1	Very high	95.1	Very high	182 Å²	182	82.9 Å²	82.9	79%	0.791	38%	0.384	S	S	*	.	H	α-helix	trans	-70.5	-29.8	176	-70.5	177.1	-177	-177.4	0	113.9	P267 K269	P267-K271 WeakPolarHBondContact O-CG 3.14Å; P267-K271 PolarHBondContact O-N 2.81Å; K269-K271 VanDerWaalsContact C-N 3.3Å; K269-K271 PolarHBondContact O-N 2.92Å
272	K	93.3	Very high	95.2	Very high	179 Å²	179	78.3 Å²	78.3	78%	0.778	36%	0.363	S	S	*	.	H	α-helix	trans	-97.2	-29.4	-171.2	-72.1	-177.6	179	-172.9	0	114.6	K268 K269	K268-K272 WeakPolarHBondContact O-CB 3.38Å; K268-K272 VanDerWaalsContact O-CG 3.29Å; K268-K272 WeakPolarHBondContact O-CG 3.47Å; K268-K272 PolarHBondContact O-N 3.15Å; K269-K272 PolarHBondContact O-N 3.42Å; K269-K272 VanDerWaalsContact O-N 3.08Å
273	K	91.9	Very high	95.2	Very high	124 Å²	124	77.8 Å²	77.8	54%	0.539	36%	0.361	S	S	.	.			trans	-112.6	114.3	-170.3	-70.2	-174.6	179.3	-172.2	0	110.6	K269 N275 Y276	K269-K273 WeakPolarHBondContact O-CB 2.92Å; K269-K273 PolarHBondContact O-N 2.9Å; K273-N275 VanDerWaalsContact C-N 3.28Å; K273-N275 PolarHBondContact O-N 3.43Å; K273-Y276 WeakPolarHBondContact O-CB 3.35Å; K273-Y276 PolarHBondContact O-N 3.36Å
274	K	86.9	Confident	95.2	Very high	213 Å²	213	73.6 Å²	73.6	93%	0.926	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-33.5	-178.5	-77.8	-171.9	175.4	-176.9	0	114.8
275	N	91	Very high	95.1	Very high	158 Å²	158	77.3 Å²	77.3	85%	0.845	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	23.8	-177.2	-63.2	-14.4	0	0	0	112.8	K273	K273-N275 VanDerWaalsContact C-N 3.28Å; K273-N275 PolarHBondContact O-N 3.43Å
276	Y	94.3	Very high	94.9	Very high	38 Å²	38	77 Å²	77	15%	0.149	36%	0.355	C	S	.	.			trans	-71.5	128.2	178	175.6	-96	0	0	0	110.9	C264 I265 N266 K269 Q270 K273 N278 S279	C264-Y276 PolarHBondContact O-OH 2.78Å; I265-Y276 WeakPolarHBondContact CA-OH 3.48Å; I265-Y276 HydrophobicContact CD1-CE1 4.18Å; I265-Y276 HydrophobicContact CG2-CE1 4.26Å; N266-Y276 PolarHBondContact N-OH 3.02Å; K269-Y276 HydrophobicContact CB-CD2 3.69Å; K269-Y276 HydrophobicContact CB-CE2 3.63Å; K269-Y276 HydrophobicContact CB-CG 4.27Å; K269-Y276 HydrophobicContact CD-CD2 4.48Å; K269-Y276 HydrophobicContact CD-CE2 3.99Å; K269-Y276 HydrophobicContact CG-CE2 4.44Å; Q270-Y276 HydrophobicContact CB-CD1 3.83Å; Q270-Y276 HydrophobicContact CB-CE1 3.99Å; Q270-Y276 HydrophobicContact CG-CD1 4.14Å; Q270-Y276 HydrophobicContact CG-CE1 4.47Å; K273-Y276 WeakPolarHBondContact O-CB 3.35Å; K273-Y276 PolarHBondContact O-N 3.36Å; Y276-N278 VanDerWaalsContact CE2-C 3.48Å; Y276-N278 VanDerWaalsContact CE2-O 3.3Å; Y276-N278 WeakPolarHBondContact CE2-O 3.45Å; Y276-N278 VanDerWaalsContact CZ-C 3.41Å; Y276-N278 VanDerWaalsContact CZ-CA 3.5Å; Y276-N278 WeakPolarHBondContact OH-CA 3.43Å; Y276-S279 WeakPolarHBondContact CE2-OG 3.21Å; Y276-S279 PolarHBondContact OH-N 3.11Å; Y276-S279 PolarHBondContact OH-OG 2.76Å
277	K	93.8	Very high	94.8	Very high	179 Å²	179	76.7 Å²	76.7	78%	0.778	35%	0.354	S	S	*	.			trans	-100.3	-65.7	173.7	-66.9	-171.3	175.3	-172.1	0	110.7	I265	I265-K277 WeakPolarHBondContact CD1-O 3.5Å
278	N	96.9	Very high	94.7	Very high	47 Å²	47	81.1 Å²	81.1	25%	0.251	37%	0.369	S	S	.	.			trans	-154.5	176.2	177.6	59.7	39.7	0	0	0	109.7	D263 I265 Y276 G280	D263-N278 HydrophobicContact CB-CB 4.05Å; D263-N278 PolarHBondContact OD1-ND2 3.26Å; I265-N278 HydrophobicContact CD1-CB 4.1Å; Y276-N278 VanDerWaalsContact CE2-C 3.48Å; Y276-N278 VanDerWaalsContact CE2-O 3.3Å; Y276-N278 WeakPolarHBondContact CE2-O 3.45Å; Y276-N278 VanDerWaalsContact CZ-C 3.41Å; Y276-N278 VanDerWaalsContact CZ-CA 3.5Å; Y276-N278 WeakPolarHBondContact OH-CA 3.43Å; N278-G280 VanDerWaalsContact C-N 3.34Å; N278-G280 WeakPolarHBondContact CB-O 3.38Å; N278-G280 PolarHBondContact OD1-N 3.04Å; N278-G280 VanDerWaalsContact OD1-N 3.08Å
279	S	97.4	Very high	94.6	Very high	0 Å²	0	76.7 Å²	76.7	0%	0	35%	0.352	C	S	.	.	S	Bend	trans	-105.1	31.8	172.9	-58.7	0	0	0	0	110	L165 D166 I241 C264 N266 Y276	L165-S279 WeakPolarHBondContact CA-O 3.49Å; D166-S279 PolarHBondContact N-O 3.18Å; D166-S279 WeakPolarHBondContact OD2-CA 3.25Å; D166-S279 VanDerWaalsContact OD2-CB 3.26Å; D166-S279 WeakPolarHBondContact OD2-CB 3.25Å; D166-S279 PolarHBondContact OD2-OG 2.95Å; I241-S279 WeakPolarHBondContact O-CB 3.26Å; I241-S279 PolarHBondContact O-OG 3.35Å; C264-S279 PolarHBondContact O-N 3.41Å; N266-S279 WeakPolarHBondContact CB-OG 3.37Å; Y276-S279 WeakPolarHBondContact CE2-OG 3.21Å; Y276-S279 PolarHBondContact OH-N 3.11Å; Y276-S279 PolarHBondContact OH-OG 2.76Å
280	G	97.6	Very high	94.4	Very high	1 Å²	1	77 Å²	77	1%	0.01	36%	0.363	C	S	.	.			trans	107.3	178.8	-169	0	0	0	0	0	113.4	R163 K164 C264 N278	R163-G280 WeakPolarHBondContact O-CA 3.38Å; K164-G280 WeakPolarHBondContact O-CA 3.41Å; C264-G280 WeakPolarHBondContact CB-O 3.22Å; C264-G280 PolarHBondContact N-O 3.34Å; N278-G280 VanDerWaalsContact C-N 3.34Å; N278-G280 WeakPolarHBondContact CB-O 3.38Å; N278-G280 PolarHBondContact OD1-N 3.04Å; N278-G280 VanDerWaalsContact OD1-N 3.08Å
281	V	98.4	Very high	94.2	Very high	11 Å²	11	74.9 Å²	74.9	7%	0.067	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	134.7	-177.2	179.8	0	0	0	0	109.2	G162 R163 E261 F262 I283	G162-V281 CarbonylContact C-O 3.6Å; G162-V281 WeakPolarHBondContact CA-O 3.45Å; R163-V281 PolarHBondContact N-O 3.34Å; R163-V281 PolarHBondContact O-N 2.93Å; E261-V281 HydrophobicContact CB-CG1 3.73Å; E261-V281 HydrophobicContact CG-CG1 4.13Å; F262-V281 WeakPolarHBondContact O-CA 3.27Å; V281-I283 HydrophobicContact CG1-CG1 4.08Å
282	I	98.5	Very high	94	Very high	0 Å²	0	69.1 Å²	69.1	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.4	169	-57.3	-57	0	0	0	107.9	L160 L165 L178 W206 F244 F262 C264	L160-I282 HydrophobicContact CD2-CG2 3.84Å; L165-I282 HydrophobicContact CD2-CD1 3.95Å; L178-I282 HydrophobicContact CD1-CG2 4.19Å; L178-I282 HydrophobicContact CD2-CD1 3.96Å; L178-I282 HydrophobicContact CD2-CG1 4.39Å; W206-I282 HydrophobicContact CH2-CD1 3.83Å; W206-I282 HydrophobicContact CZ3-CD1 4.15Å; F244-I282 HydrophobicContact CD1-CG1 4.37Å; F244-I282 HydrophobicContact CE1-CB 3.78Å; F244-I282 HydrophobicContact CE1-CG1 3.79Å; F244-I282 HydrophobicContact CE1-CG2 3.97Å; F244-I282 HydrophobicContact CZ-CB 4.25Å; F244-I282 HydrophobicContact CZ-CG2 4.07Å; F262-I282 PolarHBondContact N-O 2.67Å; F262-I282 PolarHBondContact O-N 2.84Å; C264-I282 HydrophobicContact CB-CG1 4.42Å
283	I	98.1	Very high	93.9	Very high	8 Å²	8	63.1 Å²	63.1	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.1	-175.4	-51.9	177.9	0	0	0	107.5	L160 S161 R163 E259 E261 V281 K285	L160-I283 CarbonylContact C-O 3.58Å; L160-I283 VanDerWaalsContact CA-O 3.28Å; L160-I283 WeakPolarHBondContact CA-O 3.25Å; S161-I283 PolarHBondContact N-O 2.93Å; S161-I283 PolarHBondContact O-N 3.26Å; R163-I283 HydrophobicContact CB-CD1 3.92Å; E259-I283 HydrophobicContact CB-CG2 3.8Å; E259-I283 HydrophobicContact CG-CG2 4.17Å; E259-I283 WeakPolarHBondContact OE2-CG2 3.34Å; E261-I283 HydrophobicContact CG-CG1 4.2Å; E261-I283 HydrophobicContact CG-CG2 4.45Å; V281-I283 HydrophobicContact CG1-CG1 4.08Å; I283-K285 HydrophobicContact CG2-CG 4.42Å
284	L	97.7	Very high	93.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	111.2	169.8	179.2	65.6	0	0	0	108.6	L158 L160 M251 A254 E259 V260 F262 S286 C287	L158-L284 HydrophobicContact CB-CD1 4.23Å; L158-L284 HydrophobicContact CD2-CD1 3.96Å; L160-L284 HydrophobicContact CD1-CD1 4.38Å; L160-L284 HydrophobicContact CD2-CB 4.45Å; L160-L284 HydrophobicContact CD2-CD1 4.02Å; L160-L284 HydrophobicContact CG-CD1 3.78Å; M251-L284 HydrophobicContact CB-CD2 3.49Å; M251-L284 VanDerWaalsContact CB-CD2 3.49Å; M251-L284 HydrophobicContact CG-CD2 3.66Å; M251-L284 VanDerWaalsContact O-CD2 3.28Å; M251-L284 WeakPolarHBondContact O-CD2 3.07Å; M251-L284 HydrophobicContact SD-CD2 4.4Å; A254-L284 HydrophobicContact CB-CB 4.37Å; A254-L284 HydrophobicContact CB-CD2 3.83Å; A254-L284 HydrophobicContact CB-CG 3.73Å; E259-L284 WeakPolarHBondContact CA-O 3.37Å; V260-L284 HydrophobicContact CB-CB 4.4Å; V260-L284 PolarHBondContact N-O 3.5Å; V260-L284 PolarHBondContact O-N 2.98Å; F262-L284 HydrophobicContact CE2-CB 4.09Å; F262-L284 HydrophobicContact CE2-CD2 4.42Å; L284-S286 WeakPolarHBondContact CD1-O 3.44Å; L284-C287 HydrophobicContact CD2-CB 4.21Å
285	K	95.6	Very high	94.1	Very high	78 Å²	78	49.4 Å²	49.4	34%	0.339	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	-31.7	-176.7	-64.3	-173.9	168.3	169	0	113.2	T159 S161 I283	T159-K285 HydrophobicContact CG2-CB 4.2Å; T159-K285 HydrophobicContact CG2-CD 4.5Å; T159-K285 PolarHBondContact O-N 2.95Å; S161-K285 WeakPolarHBondContact OG-CE 3.5Å; I283-K285 HydrophobicContact CG2-CG 4.42Å
286	S	94.9	Very high	94.2	Very high	30 Å²	30	42 Å²	42	21%	0.21	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	133.2	179.5	-172.1	0	0	0	0	110.2	L158 T159 A254 L284	L158-S286 WeakPolarHBondContact CA-O 3.45Å; T159-S286 PolarHBondContact N-O 3.43Å; T159-S286 PolarHBondContact O-N 2.98Å; A254-S286 WeakPolarHBondContact O-CA 3.34Å; L284-S286 WeakPolarHBondContact CD1-O 3.44Å
287	C	94.9	Very high	94	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.014	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117.9	165.6	-178.3	0	0	0	0	108.6	L158 M251 A254 L284	L158-C287 HydrophobicContact CD2-CB 4.05Å; M251-C287 WeakPolarHBondContact O-CB 3.17Å; A254-C287 HydrophobicContact CB-CB 4.36Å; A254-C287 PolarHBondContact O-N 3.06Å; A254-C287 VanDerWaalsContact O-N 3.09Å; L284-C287 HydrophobicContact CD2-CB 4.21Å
288	K	93.3	Very high	94.1	Very high	135 Å²	135	32.8 Å²	32.8	59%	0.587	17%	0.169	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122.2	119.2	176.2	-65.1	-176.7	-178.7	-178.3	0	109.5	I156 T157	I156-K288 WeakPolarHBondContact CA-O 3.47Å; T157-K288 PolarHBondContact N-O 2.72Å; T157-K288 PolarHBondContact O-N 3.24Å
289	I	92.4	Very high	94	Very high	69 Å²	69	30.6 Å²	30.6	35%	0.354	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	130.4	169	-57.9	174.2	0	0	0	106.9	R154 I155 I156 V248	R154-I289 HydrophobicContact CB-CG2 4.22Å; I155-I289 WeakPolarHBondContact O-CA 3.26Å; I156-I289 HydrophobicContact CG1-CG1 4.26Å; V248-I289 HydrophobicContact CG1-CD1 3.57Å; V248-I289 HydrophobicContact CG1-CG1 4.5Å
290	A	90	Very high	93.7	Very high	49 Å²	49	31.4 Å²	31.4	41%	0.405	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	158.8	177.6	0	0	0	0	0	109.7	R154 I155	R154-A290 CarbonylContact C-O 3.53Å; R154-A290 WeakPolarHBondContact CA-O 3.35Å; I155-A290 HydrophobicContact CG1-CB 4.29Å; I155-A290 WeakPolarHBondContact CG1-O 3.33Å; I155-A290 PolarHBondContact N-O 3.24Å; I155-A290 PolarHBondContact O-N 3.44Å
291	H	87.4	Confident	93.5	Very high	69 Å²	69	31.4 Å²	31.4	32%	0.319	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	126.7	169.1	-85.3	89.2	0	0	0	110	Y293	H291-Y293 HydrophobicContact CB-CD1 4.22Å; H291-Y293 HydrophobicContact CB-CE1 3.77Å
292	D	89.5	Confident	93.2	Very high	62 Å²	62	32.1 Å²	32.1	33%	0.332	17%	0.171	S	C	.	.			trans	-95.5	86.8	169.2	-172.5	37.7	0	0	0	109.5	N153 I155 T294 K535	N153-D292 WeakPolarHBondContact O-CB 3.38Å; N153-D292 PolarHBondContact O-N 3.5Å; I155-D292 HydrophobicContact CB-CB 4.43Å; I155-D292 HydrophobicContact CD1-CB 4.03Å; I155-D292 HydrophobicContact CG1-CB 4Å; I155-D292 HydrophobicContact CG2-CB 3.62Å; D292-T294 PolarHBondContact O-N 2.83Å; D292-K535 WeakPolarHBondContact OD1-CE 3.4Å; D292-K535 IonicContact OD1-NZ 3.87Å; D292-K535 PolarHBondContact OD1-NZ 3.3Å; D292-K535 IonicContact OD2-NZ 2.73Å; D292-K535 PolarHBondContact OD2-NZ 2.57Å
293	Y	90.3	Very high	93.1	Very high	53 Å²	53	32.2 Å²	32.2	21%	0.208	17%	0.172	C	C	.	.			trans	-57	129.4	-171.4	-61.1	-63.5	0	0	0	112.8	H291 D297 K535 P540 P541	H291-Y293 HydrophobicContact CB-CD1 4.22Å; H291-Y293 HydrophobicContact CB-CE1 3.77Å; Y293-D297 WeakPolarHBondContact CA-OD2 3.24Å; Y293-D297 HydrophobicContact CD1-CB 4Å; Y293-D297 HydrophobicContact CG-CB 4.5Å; Y293-K535 WeakPolarHBondContact O-CE 3.5Å; Y293-K535 PolarHBondContact O-NZ 3.18Å; Y293-P540 HydrophobicContact CE2-CB 3.92Å; Y293-P541 HydrophobicContact CD1-CG 3.62Å; Y293-P541 HydrophobicContact CD2-CG 4.35Å; Y293-P541 HydrophobicContact CE1-CG 3.86Å; Y293-P541 HydrophobicContact CG-CG 3.89Å
294	T	91.1	Very high	92.9	Very high	33 Å²	33	34.4 Å²	34.4	20%	0.202	18%	0.182	C	C	.	.			trans	-81.5	176.3	172.7	65.9	0	0	0	0	110.8	E149 N153 D292 L296 D297 Y298	E149-T294 VanDerWaalsContact CD-OG1 3.3Å; E149-T294 PolarHBondContact OE1-OG1 2.9Å; E149-T294 VanDerWaalsContact OE1-OG1 3.04Å; E149-T294 PolarHBondContact OE2-OG1 2.98Å; N153-T294 VanDerWaalsContact CG-CG2 3.49Å; N153-T294 WeakPolarHBondContact ND2-CG2 3.49Å; D292-T294 PolarHBondContact O-N 2.83Å; T294-L296 VanDerWaalsContact C-N 3.27Å; T294-L296 PolarHBondContact O-N 2.74Å; T294-L296 PolarHBondContact OG1-N 3.27Å; T294-D297 PolarHBondContact N-OD2 3.13Å; T294-D297 PolarHBondContact O-N 2.95Å; T294-D297 PolarHBondContact OG1-N 3.06Å; T294-D297 VanDerWaalsContact OG1-N 3.11Å; T294-D297 PolarHBondContact OG1-OD2 3.29Å; T294-Y298 WeakPolarHBondContact O-CD2 3.38Å; T294-Y298 PolarHBondContact O-N 3.28Å
295	F	93.3	Very high	92.8	Very high	15 Å²	15	34.4 Å²	34.4	7%	0.066	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-43	170.8	172.9	-107.9	0	0	0	111.4	Y82 F84 Y298 I299 L305 P527 V530 T531	Y82-F295 HydrophobicContact CE1-CD1 4.45Å; Y82-F295 HydrophobicContact CE1-CE1 4.48Å; F84-F295 HydrophobicContact CB-CE1 4.2Å; F84-F295 AromaticContact CD2-CE1 3.46Å; F84-F295 HydrophobicContact CD2-CE1 3.46Å; F84-F295 VanDerWaalsContact CD2-CE1 3.46Å; F84-F295 AromaticContact CD2-CZ 3.6Å; F84-F295 HydrophobicContact CD2-CZ 3.6Å; F84-F295 HydrophobicContact CE2-CE1 4.03Å; F84-F295 AromaticContact CE2-CZ 3.66Å; F84-F295 HydrophobicContact CE2-CZ 3.66Å; F84-F295 AromaticContact CG-CE1 3.92Å; F84-F295 HydrophobicContact CG-CE1 3.92Å; F84-F295 HydrophobicContact CG-CZ 4.24Å; F84-F295 HydrophobicContact CZ-CZ 4.33Å; F295-Y298 WeakPolarHBondContact O-CB 3.4Å; F295-Y298 PolarHBondContact O-N 3.4Å; F295-Y298 VanDerWaalsContact O-N 3.16Å; F295-I299 HydrophobicContact CD1-CG1 4.28Å; F295-I299 HydrophobicContact CD2-CG1 4.44Å; F295-I299 HydrophobicContact CE1-CD1 4.49Å; F295-I299 HydrophobicContact CE1-CG1 3.79Å; F295-I299 HydrophobicContact CE2-CD1 4.02Å; F295-I299 HydrophobicContact CE2-CG1 3.97Å; F295-I299 HydrophobicContact CZ-CD1 3.84Å; F295-I299 HydrophobicContact CZ-CG1 3.62Å; F295-I299 PolarHBondContact O-N 2.62Å; F295-I299 VanDerWaalsContact O-N 3.12Å; F295-L305 HydrophobicContact CE2-CD1 4.47Å; F295-L305 HydrophobicContact CZ-CD1 4.19Å; F295-P527 HydrophobicContact CB-CB 3.94Å; F295-P527 HydrophobicContact CD1-CB 4.01Å; F295-P527 HydrophobicContact CD1-CG 4.3Å; F295-P527 HydrophobicContact CD2-CB 3.91Å; F295-P527 HydrophobicContact CE1-CB 4.5Å; F295-P527 HydrophobicContact CE1-CG 4.38Å; F295-P527 HydrophobicContact CE2-CB 4.41Å; F295-P527 HydrophobicContact CG-CB 3.67Å; F295-P527 HydrophobicContact CG-CG 4.39Å; F295-V530 HydrophobicContact CD2-CB 4.06Å; F295-V530 HydrophobicContact CD2-CG1 3.99Å; F295-V530 HydrophobicContact CE2-CB 4.22Å; F295-V530 HydrophobicContact CE2-CG1 4.17Å; F295-V530 HydrophobicContact CE2-CG2 4.2Å; F295-T531 VanDerWaalsContact CA-CG2 3.44Å; F295-T531 HydrophobicContact CB-CG2 3.79Å
296	L	92	Very high	92.8	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-71.8	-31.9	-176.7	-169.5	65.4	0	0	0	112	T23 V25 Y82 V121 E149 T294 Y298 I299 L300	T23-L296 HydrophobicContact CG2-CD2 3.74Å; V25-L296 HydrophobicContact CG2-CD2 3.54Å; Y82-L296 HydrophobicContact CD1-CD1 4.31Å; Y82-L296 HydrophobicContact CD1-CD2 4.35Å; Y82-L296 HydrophobicContact CE1-CD1 3.98Å; V121-L296 HydrophobicContact CB-CD1 3.77Å; V121-L296 HydrophobicContact CG1-CD1 4.01Å; V121-L296 HydrophobicContact CG2-CD1 3.97Å; E149-L296 HydrophobicContact CB-CD2 3.95Å; E149-L296 HydrophobicContact CG-CD2 4.11Å; E149-L296 WeakPolarHBondContact OE2-CB 3.32Å; T294-L296 VanDerWaalsContact C-N 3.27Å; T294-L296 PolarHBondContact O-N 2.74Å; T294-L296 PolarHBondContact OG1-N 3.27Å; L296-Y298 VanDerWaalsContact C-N 3.27Å; L296-Y298 PolarHBondContact O-N 3.45Å; L296-I299 HydrophobicContact CD1-CB 4.43Å; L296-I299 PolarHBondContact O-N 2.78Å; L296-L300 HydrophobicContact CD1-CD1 4.45Å; L296-L300 HydrophobicContact CD1-CG 4.22Å; L296-L300 HydrophobicContact CD2-CD1 4.15Å; L296-L300 HydrophobicContact CG-CD1 3.77Å; L296-L300 HydrophobicContact CG-CG 4.05Å; L296-L300 VanDerWaalsContact O-CB 3.29Å; L296-L300 WeakPolarHBondContact O-CB 3.32Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 2.83Å
297	D	91.8	Very high	92.9	Very high	23 Å²	23	30.8 Å²	30.8	12%	0.123	16%	0.163	C	C	.	.	H	α-helix	trans	-54.3	-42.6	167.8	-81.6	-47.7	0	0	0	112.1	E149 N153 Y293 T294 G301 P541	E149-D297 PolarHBondContact OE2-N 3.12Å; N153-D297 PolarHBondContact ND2-OD2 2.88Å; Y293-D297 WeakPolarHBondContact CA-OD2 3.24Å; Y293-D297 HydrophobicContact CD1-CB 4Å; Y293-D297 HydrophobicContact CG-CB 4.5Å; T294-D297 PolarHBondContact N-OD2 3.13Å; T294-D297 PolarHBondContact O-N 2.95Å; T294-D297 PolarHBondContact OG1-N 3.06Å; T294-D297 VanDerWaalsContact OG1-N 3.11Å; T294-D297 PolarHBondContact OG1-OD2 3.29Å; D297-G301 WeakPolarHBondContact O-CA 3.46Å; D297-G301 PolarHBondContact O-N 3.14Å; D297-P541 HydrophobicContact CB-CG 4.33Å
298	Y	94.3	Very high	93	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.008	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-46.3	177	-70.7	-62.1	0	0	0	111.8	T294 F295 L296 G301 G302 C303 A432 T531 F534 L539 P541	T294-Y298 WeakPolarHBondContact O-CD2 3.38Å; T294-Y298 PolarHBondContact O-N 3.28Å; F295-Y298 WeakPolarHBondContact O-CB 3.4Å; F295-Y298 PolarHBondContact O-N 3.4Å; F295-Y298 VanDerWaalsContact O-N 3.16Å; L296-Y298 VanDerWaalsContact C-N 3.27Å; L296-Y298 PolarHBondContact O-N 3.45Å; Y298-G301 CarbonylContact O-C 3.46Å; Y298-G301 WeakPolarHBondContact O-CA 3.4Å; Y298-G301 PolarHBondContact O-N 3.42Å; Y298-G302 PolarHBondContact O-N 2.99Å; Y298-C303 WeakPolarHBondContact O-CB 3.32Å; Y298-C303 PolarHBondContact O-N 2.92Å; Y298-A432 HydrophobicContact CD1-CB 3.38Å; Y298-A432 HydrophobicContact CE1-CB 3.54Å; Y298-A432 HydrophobicContact CG-CB 4.43Å; Y298-T531 HydrophobicContact CD2-CG2 4.14Å; Y298-T531 HydrophobicContact CE2-CG2 4.2Å; Y298-F534 AromaticContact CD1-CD2 3.94Å; Y298-F534 HydrophobicContact CD1-CD2 3.94Å; Y298-F534 HydrophobicContact CD1-CG 4.43Å; Y298-F534 HydrophobicContact CD2-CD2 4.05Å; Y298-F534 HydrophobicContact CE1-CB 3.74Å; Y298-F534 HydrophobicContact CE1-CD2 4.01Å; Y298-F534 HydrophobicContact CE1-CG 4.08Å; Y298-F534 HydrophobicContact CE2-CB 3.92Å; Y298-F534 HydrophobicContact CE2-CD2 4.14Å; Y298-F534 AromaticContact CG-CD2 3.97Å; Y298-F534 HydrophobicContact CG-CD2 3.97Å; Y298-F534 VanDerWaalsContact OH-CB 3.3Å; Y298-F534 WeakPolarHBondContact OH-CB 3.5Å; Y298-L539 WeakPolarHBondContact CE1-O 3.45Å; Y298-L539 PolarHBondContact OH-O 3.43Å; Y298-L539 VanDerWaalsContact OH-O 3.05Å; Y298-P541 HydrophobicContact CD1-CB 4.21Å; Y298-P541 HydrophobicContact CD1-CG 3.82Å; Y298-P541 HydrophobicContact CE1-CG 4.02Å
299	I	94.9	Very high	93.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-64.5	-52.1	179.8	-62.9	-56	0	0	0	111.6	V121 F295 L296 G301 G302 L305 Y351	V121-I299 HydrophobicContact CB-CG2 4.5Å; V121-I299 HydrophobicContact CG2-CG2 4.1Å; F295-I299 HydrophobicContact CD1-CG1 4.28Å; F295-I299 HydrophobicContact CD2-CG1 4.44Å; F295-I299 HydrophobicContact CE1-CD1 4.49Å; F295-I299 HydrophobicContact CE1-CG1 3.79Å; F295-I299 HydrophobicContact CE2-CD1 4.02Å; F295-I299 HydrophobicContact CE2-CG1 3.97Å; F295-I299 HydrophobicContact CZ-CD1 3.84Å; F295-I299 HydrophobicContact CZ-CG1 3.62Å; F295-I299 PolarHBondContact O-N 2.62Å; F295-I299 VanDerWaalsContact O-N 3.12Å; L296-I299 HydrophobicContact CD1-CB 4.43Å; L296-I299 PolarHBondContact O-N 2.78Å; I299-G301 PolarHBondContact O-N 2.96Å; I299-G302 WeakPolarHBondContact O-CA 3.37Å; I299-G302 PolarHBondContact O-N 3.29Å; I299-L305 HydrophobicContact CD1-CD2 4.37Å; I299-L305 HydrophobicContact CD1-CG 4.21Å; I299-Y351 HydrophobicContact CD1-CD1 4.05Å; I299-Y351 HydrophobicContact CG1-CD1 4.24Å; I299-Y351 HydrophobicContact CG2-CD1 3.77Å; I299-Y351 HydrophobicContact CG2-CE1 4.06Å
300	L	92.4	Very high	93.5	Very high	17 Å²	17	21.5 Å²	21.5	9%	0.089	12%	0.121	C	C	.	.	H	α-helix	trans	-61	-29.4	174.3	-73.5	169.4	0	0	0	111.8	V121 K124 A147 E149 L296 G302	V121-L300 HydrophobicContact CB-CD2 4.1Å; V121-L300 HydrophobicContact CG1-CD2 4.46Å; V121-L300 WeakPolarHBondContact O-CD2 3.35Å; K124-L300 WeakPolarHBondContact CD-O 3.44Å; A147-L300 HydrophobicContact CB-CD2 3.9Å; E149-L300 HydrophobicContact CB-CD1 3.91Å; L296-L300 HydrophobicContact CD1-CD1 4.45Å; L296-L300 HydrophobicContact CD1-CG 4.22Å; L296-L300 HydrophobicContact CD2-CD1 4.15Å; L296-L300 HydrophobicContact CG-CD1 3.77Å; L296-L300 HydrophobicContact CG-CG 4.05Å; L296-L300 VanDerWaalsContact O-CB 3.29Å; L296-L300 WeakPolarHBondContact O-CB 3.32Å; L296-L300 WeakPolarHBondContact O-CG 3.48Å; L296-L300 PolarHBondContact O-N 2.83Å; L300-G302 PolarHBondContact O-N 2.86Å
301	G	91.9	Very high	93.9	Very high	1 Å²	1	19.2 Å²	19.2	1%	0.01	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-15.1	173.2	0	0	0	0	0	114	D297 Y298 I299 I542 N543	D297-G301 WeakPolarHBondContact O-CA 3.46Å; D297-G301 PolarHBondContact O-N 3.14Å; Y298-G301 CarbonylContact O-C 3.46Å; Y298-G301 WeakPolarHBondContact O-CA 3.4Å; Y298-G301 PolarHBondContact O-N 3.42Å; I299-G301 PolarHBondContact O-N 2.96Å; G301-I542 WeakPolarHBondContact O-CB 3.3Å; G301-N543 WeakPolarHBondContact O-CB 3.34Å; G301-N543 PolarHBondContact O-N 2.92Å; G301-N543 PolarHBondContact O-ND2 3.11Å; G301-N543 VanDerWaalsContact O-ND2 3.17Å
302	G	93.1	Very high	94.4	Very high	26 Å²	26	15.9 Å²	15.9	27%	0.268	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	104.4	12.3	179.6	0	0	0	0	0	114.7	Y298 I299 L300 I542	Y298-G302 PolarHBondContact O-N 2.99Å; I299-G302 WeakPolarHBondContact O-CA 3.37Å; I299-G302 PolarHBondContact O-N 3.29Å; L300-G302 PolarHBondContact O-N 2.86Å; G302-I542 WeakPolarHBondContact O-CD1 3.16Å
303	C	95.3	Very high	94.7	Very high	3 Å²	3	13 Å²	13	2%	0.02	7%	0.071	C	C	.	.			trans	-64.6	133.7	172	-175.1	0	0	0	0	110.2	Y298 A432 A433	Y298-C303 WeakPolarHBondContact O-CB 3.32Å; Y298-C303 PolarHBondContact O-N 2.92Å; C303-A432 WeakPolarHBondContact CB-O 3.08Å; C303-A433 WeakPolarHBondContact CA-O 3.42Å
304	Q	94.8	Very high	95	Very high	54 Å²	54	10.6 Å²	10.6	25%	0.252	6%	0.062	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	141.1	177.7	-65.6	176.5	-15.3	0	0	111.1	M306 Y351 T353 A433 Y435	Q304-M306 HydrophobicContact CB-CE 3.31Å; Q304-M306 HydrophobicContact CG-CE 4.22Å; Q304-Y351 WeakPolarHBondContact CA-O 3.34Å; Q304-T353 VanDerWaalsContact NE2-CB 3.29Å; Q304-T353 PolarHBondContact NE2-OG1 2.76Å; Q304-A433 PolarHBondContact N-O 2.83Å; Q304-Y435 PolarHBondContact O-N 3.01Å
305	L	95.6	Very high	95.2	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	99.7	173.6	-57.4	-174.1	0	0	0	109.6	F84 F295 I299 F307 I348 Y351 Y435 L526 V530	F84-L305 HydrophobicContact CE2-CD1 3.88Å; F84-L305 HydrophobicContact CZ-CD1 4.01Å; F295-L305 HydrophobicContact CE2-CD1 4.47Å; F295-L305 HydrophobicContact CZ-CD1 4.19Å; I299-L305 HydrophobicContact CD1-CD2 4.37Å; I299-L305 HydrophobicContact CD1-CG 4.21Å; L305-F307 PolarHBondContact O-N 3.23Å; L305-I348 HydrophobicContact CB-CG2 4.5Å; L305-Y351 HydrophobicContact CD1-CD2 4.43Å; L305-Y351 HydrophobicContact CD1-CG 4.09Å; L305-Y351 PolarHBondContact N-O 3.5Å; L305-Y435 CarbonylContact C-O 3.6Å; L305-Y435 WeakPolarHBondContact CA-O 3.33Å; L305-L526 HydrophobicContact CD1-CD2 4.48Å; L305-V530 HydrophobicContact CD2-CG2 4.2Å
306	M	95.8	Very high	95.2	Very high	30 Å²	30	14.5 Å²	14.5	15%	0.148	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	111.8	-179.8	-56.1	-76.9	113	0	0	109.7	Q304 Q434 Y435 F436 T437	Q304-M306 HydrophobicContact CB-CE 3.31Å; Q304-M306 HydrophobicContact CG-CE 4.22Å; M306-Q434 HydrophobicContact CE-CG 4.26Å; M306-Q434 HydrophobicContact CG-CB 4.24Å; M306-Y435 PolarHBondContact N-O 3.48Å; M306-F436 HydrophobicContact CB-CD1 3.64Å; M306-F436 HydrophobicContact CB-CE1 3.9Å; M306-F436 HydrophobicContact CB-CG 4.08Å; M306-F436 HydrophobicContact CG-CD1 4.05Å; M306-F436 HydrophobicContact CG-CE1 3.87Å; M306-F436 HydrophobicContact CG-CE2 4.42Å; M306-F436 HydrophobicContact CG-CG 4.41Å; M306-F436 HydrophobicContact CG-CZ 4.07Å; M306-F436 CarbonylContact O-C 3.52Å; M306-T437 PolarHBondContact O-N 3.01Å
307	F	96.5	Very high	95.3	Very high	2 Å²	2	14.6 Å²	14.6	1%	0.009	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	126.9	-172.8	-175.5	-124	0	0	0	113.1	L305 V309 V344 I348 F357 P358 I393 T437 L439	L305-F307 PolarHBondContact O-N 3.23Å; F307-V309 HydrophobicContact CD1-CG2 4.12Å; F307-V309 HydrophobicContact CE1-CG2 3.39Å; F307-V309 HydrophobicContact CE2-CG2 4.41Å; F307-V309 HydrophobicContact CZ-CG2 3.57Å; F307-V344 HydrophobicContact CE2-CG1 4.1Å; F307-V344 HydrophobicContact CZ-CG1 4.09Å; F307-I348 HydrophobicContact CB-CG2 3.68Å; F307-I348 HydrophobicContact CD2-CB 4.42Å; F307-I348 HydrophobicContact CD2-CD1 3.82Å; F307-I348 HydrophobicContact CD2-CG2 3.89Å; F307-I348 HydrophobicContact CE2-CD1 3.8Å; F307-I348 HydrophobicContact CG-CB 4.46Å; F307-I348 HydrophobicContact CG-CG2 3.79Å; F307-F357 HydrophobicContact CB-CD1 3.68Å; F307-F357 HydrophobicContact CB-CE1 3.87Å; F307-F357 HydrophobicContact CD1-CD1 4.09Å; F307-F357 HydrophobicContact CD1-CE1 4.48Å; F307-F357 HydrophobicContact CD1-CG 4.14Å; F307-F357 HydrophobicContact CG-CD1 4.4Å; F307-P358 WeakPolarHBondContact O-CD 3.41Å; F307-I393 HydrophobicContact CE1-CD1 4.41Å; F307-T437 HydrophobicContact CD2-CG2 4.32Å; F307-L439 HydrophobicContact CE2-CB 3.68Å; F307-L439 HydrophobicContact CE2-CD2 4.34Å; F307-L439 HydrophobicContact CZ-CB 3.93Å; F307-L439 HydrophobicContact CZ-CD2 3.82Å
308	T	97.8	Very high	95.4	Very high	11 Å²	11	14.9 Å²	14.9	7%	0.067	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	138.6	174.2	-63.3	0	0	0	0	110.2	P358 L360 V419 T437 L438 L439	T308-P358 WeakPolarHBondContact CA-O 3.45Å; T308-P358 HydrophobicContact CG2-CB 4.09Å; T308-L360 HydrophobicContact CG2-CD1 4.26Å; T308-V419 HydrophobicContact CG2-CG2 3.81Å; T308-T437 PolarHBondContact N-O 2.7Å; T308-L438 HydrophobicContact CG2-CD1 3.93Å; T308-L438 WeakPolarHBondContact O-CA 3.46Å; T308-L439 PolarHBondContact O-N 2.87Å
309	V	98.3	Very high	95.2	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	126.6	177.5	-173.6	0	0	0	0	110.3	F307 I311 I341 P358 L360 I393 L439	F307-V309 HydrophobicContact CD1-CG2 4.12Å; F307-V309 HydrophobicContact CE1-CG2 3.39Å; F307-V309 HydrophobicContact CE2-CG2 4.41Å; F307-V309 HydrophobicContact CZ-CG2 3.57Å; V309-I311 HydrophobicContact CG1-CD1 4.36Å; V309-I311 HydrophobicContact CG1-CG1 3.89Å; V309-I341 HydrophobicContact CG1-CG1 4.29Å; V309-P358 PolarHBondContact N-O 3.38Å; V309-L360 PolarHBondContact O-N 3.25Å; V309-I393 HydrophobicContact CG2-CD1 3.81Å; V309-I393 HydrophobicContact CG2-CG2 4.5Å; V309-L439 CarbonylContact C-O 3.56Å; V309-L439 WeakPolarHBondContact CA-O 3.37Å; V309-L439 HydrophobicContact CG1-CD2 4.4Å
310	G	98.1	Very high	95	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120	171.6	0	0	0	0	0	111.2	L360 L439 I440 I441	G310-L360 CarbonylContact C-O 3.58Å; G310-L360 WeakPolarHBondContact CA-O 3.38Å; G310-L439 PolarHBondContact N-O 3.19Å; G310-I440 WeakPolarHBondContact O-CA 3.39Å; G310-I441 PolarHBondContact O-N 2.87Å
311	I	98.2	Very high	94.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.8	-177.1	-53.4	176.9	0	0	0	109.4	V309 F313 Y337 I341 L360 G361 F362 I378 Y397	V309-I311 HydrophobicContact CG1-CD1 4.36Å; V309-I311 HydrophobicContact CG1-CG1 3.89Å; I311-F313 HydrophobicContact CB-CD2 4.38Å; I311-F313 HydrophobicContact CB-CE2 3.73Å; I311-F313 HydrophobicContact CB-CZ 3.99Å; I311-F313 HydrophobicContact CD1-CZ 4.5Å; I311-F313 HydrophobicContact CG2-CD1 4.44Å; I311-F313 HydrophobicContact CG2-CD2 4.24Å; I311-F313 HydrophobicContact CG2-CE1 3.95Å; I311-F313 HydrophobicContact CG2-CE2 3.72Å; I311-F313 HydrophobicContact CG2-CZ 3.57Å; I311-F313 VanDerWaalsContact O-CD2 3.29Å; I311-F313 WeakPolarHBondContact O-CD2 3.26Å; I311-Y337 HydrophobicContact CG2-CD1 3.78Å; I311-Y337 HydrophobicContact CG2-CE1 3.97Å; I311-I341 HydrophobicContact CD1-CD1 3.75Å; I311-I341 HydrophobicContact CG1-CD1 4.48Å; I311-L360 PolarHBondContact N-O 3.15Å; I311-G361 CarbonylContact O-C 3.57Å; I311-G361 VanDerWaalsContact O-CA 3.27Å; I311-G361 WeakPolarHBondContact O-CA 3.39Å; I311-F362 VanDerWaalsContact C-CE1 3.5Å; I311-F362 WeakPolarHBondContact O-CD1 3.44Å; I311-F362 PolarHBondContact O-N 3.22Å; I311-I378 HydrophobicContact CD1-CD1 3.97Å; I311-Y397 HydrophobicContact CD1-CD2 3.7Å; I311-Y397 HydrophobicContact CD1-CE2 4.48Å; I311-Y397 HydrophobicContact CD1-CG 4.27Å; I311-Y397 HydrophobicContact CG2-CD2 4.21Å; I311-Y397 HydrophobicContact CG2-CE2 4.05Å
312	D	97.2	Very high	94.9	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	126.8	171.1	-170.8	-14.2	0	0	0	110.2	T314 H327 Y337 F362 T410 I441 T442	D312-T314 VanDerWaalsContact OD1-CB 3.22Å; D312-T314 WeakPolarHBondContact OD1-CB 3.46Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.34Å; D312-T314 PolarHBondContact OD1-N 2.82Å; D312-T314 PolarHBondContact OD1-OG1 2.97Å; D312-T314 PolarHBondContact OD2-OG1 2.98Å; D312-H327 PolarHBondContact O-CE1 3.29Å; D312-H327 PolarHBondContact O-NE2 2.87Å; D312-Y337 HydrophobicContact CB-CE1 4.32Å; D312-F362 HydrophobicContact CB-CE1 4.27Å; D312-F362 HydrophobicContact CB-CE2 3.66Å; D312-F362 HydrophobicContact CB-CZ 3.52Å; D312-T410 WeakPolarHBondContact OD2-CG2 3.09Å; D312-I441 WeakPolarHBondContact CB-O 3.29Å; D312-I441 PolarHBondContact N-O 3.44Å; D312-T442 WeakPolarHBondContact OD2-CB 3.36Å; D312-T442 PolarHBondContact OD2-OG1 2.74Å
313	F	97	Very high	94.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.199	C	C	.	.			trans	-123	32.6	173.6	-66.9	-73.9	0	0	0	111.3	I311 H327 F362 A364 F376 I378 Y397 C400 L401 I404 F406	I311-F313 HydrophobicContact CB-CD2 4.38Å; I311-F313 HydrophobicContact CB-CE2 3.73Å; I311-F313 HydrophobicContact CB-CZ 3.99Å; I311-F313 HydrophobicContact CD1-CZ 4.5Å; I311-F313 HydrophobicContact CG2-CD1 4.44Å; I311-F313 HydrophobicContact CG2-CD2 4.24Å; I311-F313 HydrophobicContact CG2-CE1 3.95Å; I311-F313 HydrophobicContact CG2-CE2 3.72Å; I311-F313 HydrophobicContact CG2-CZ 3.57Å; I311-F313 VanDerWaalsContact O-CD2 3.29Å; I311-F313 WeakPolarHBondContact O-CD2 3.26Å; F313-H327 AromaticContact CD1-CE1 3.82Å; F313-H327 AromaticContact CD1-NE2 3.96Å; F313-H327 AromaticContact CE1-CE1 3.97Å; F313-F362 PolarHBondContact N-O 3.28Å; F313-A364 HydrophobicContact CB-CB 3.85Å; F313-F376 HydrophobicContact CD2-CE1 4.15Å; F313-F376 AromaticContact CD2-CZ 3.67Å; F313-F376 HydrophobicContact CD2-CZ 3.67Å; F313-F376 AromaticContact CE2-CZ 3.93Å; F313-F376 HydrophobicContact CE2-CZ 3.93Å; F313-F376 HydrophobicContact CG-CZ 4.48Å; F313-I378 HydrophobicContact CE2-CG2 3.89Å; F313-I378 HydrophobicContact CZ-CG2 4.35Å; F313-Y397 HydrophobicContact CE1-CD2 4.07Å; F313-Y397 AromaticContact CE1-CE2 3.88Å; F313-Y397 HydrophobicContact CE1-CE2 3.88Å; F313-Y397 AromaticContact CZ-CD2 3.94Å; F313-Y397 HydrophobicContact CZ-CD2 3.94Å; F313-Y397 HydrophobicContact CZ-CE2 4.19Å; F313-C400 VanDerWaalsContact CZ-SG 3.5Å; F313-L401 HydrophobicContact CD1-CD2 3.97Å; F313-L401 HydrophobicContact CE1-CD2 3.58Å; F313-L401 HydrophobicContact CE1-CG 4.44Å; F313-I404 HydrophobicContact CB-CD1 3.95Å; F313-I404 HydrophobicContact CD1-CD1 3.48Å; F313-I404 VanDerWaalsContact CD1-CD1 3.48Å; F313-I404 HydrophobicContact CD2-CD1 4.04Å; F313-I404 HydrophobicContact CE1-CD1 3.86Å; F313-I404 HydrophobicContact CE2-CD1 4.37Å; F313-I404 HydrophobicContact CG-CD1 3.56Å; F313-I404 HydrophobicContact CZ-CD1 4.27Å; F313-F406 HydrophobicContact CB-CD1 3.99Å; F313-F406 HydrophobicContact CB-CE1 4.05Å; F313-F406 HydrophobicContact CD1-CD1 4.44Å; F313-F406 AromaticContact CD1-CE1 3.65Å; F313-F406 HydrophobicContact CD1-CE1 3.65Å; F313-F406 HydrophobicContact CD1-CZ 4.05Å; F313-F406 HydrophobicContact CG-CE1 4.31Å; F313-F406 WeakPolarHBondContact O-CA 3.28Å; F313-F406 WeakPolarHBondContact O-CB 3.43Å; F313-F406 WeakPolarHBondContact O-CD1 3.38Å; F313-F406 VanDerWaalsContact O-CG 3.26Å; F313-F406 WeakPolarHBondContact O-CG 3.02Å
314	T	95.8	Very high	94.6	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.018	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-74.8	158.4	177.8	56.5	0	0	0	0	113	D312 S316 N317 Y407 T410	D312-T314 VanDerWaalsContact OD1-CB 3.22Å; D312-T314 WeakPolarHBondContact OD1-CB 3.46Å; D312-T314 WeakPolarHBondContact OD1-CG2 3.34Å; D312-T314 PolarHBondContact OD1-N 2.82Å; D312-T314 PolarHBondContact OD1-OG1 2.97Å; D312-T314 PolarHBondContact OD2-OG1 2.98Å; T314-S316 PolarHBondContact O-N 3.49Å; T314-S316 PolarHBondContact OG1-OG 2.72Å; T314-N317 WeakPolarHBondContact O-CB 3.42Å; T314-N317 PolarHBondContact O-N 3.44Å; T314-N317 PolarHBondContact O-ND2 2.87Å; T314-N317 VanDerWaalsContact O-ND2 3.16Å; T314-Y407 CarbonylContact C-O 3.57Å; T314-Y407 WeakPolarHBondContact CA-O 3.29Å; T314-Y407 VanDerWaalsContact CB-O 3.24Å; T314-Y407 WeakPolarHBondContact CB-O 3.35Å; T314-T410 WeakPolarHBondContact CG2-OG1 3.36Å
315	A	94.3	Very high	94.6	Very high	58 Å²	58	38 Å²	38	48%	0.479	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-66.9	-18.3	-172.4	0	0	0	0	0	113.7	N317 G318 F406 Y407	A315-N317 PolarHBondContact O-N 2.9Å; A315-G318 PolarHBondContact O-N 2.63Å; A315-G318 VanDerWaalsContact O-N 3.09Å; A315-F406 HydrophobicContact CB-CB 4.41Å; A315-Y407 PolarHBondContact N-O 3.02Å
316	S	93.6	Very high	94.6	Very high	73 Å²	73	40 Å²	40	51%	0.51	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-55.7	-30.4	172	43.7	0	0	0	0	112.3	T314 G318 D443	T314-S316 PolarHBondContact O-N 3.49Å; T314-S316 PolarHBondContact OG1-OG 2.72Å; S316-G318 PolarHBondContact O-N 2.63Å; S316-D443 WeakPolarHBondContact CB-OD2 3.38Å; S316-D443 VanDerWaalsContact OG-CG 3.28Å; S316-D443 PolarHBondContact OG-OD1 3.43Å; S316-D443 PolarHBondContact OG-OD2 2.61Å
317	N	94.6	Very high	94.6	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.021	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-69.7	-10.2	178.3	-72.2	-78.9	0	0	0	115	T314 A315 S325 L326 H327 Y337 F406 D443	T314-N317 WeakPolarHBondContact O-CB 3.42Å; T314-N317 PolarHBondContact O-N 3.44Å; T314-N317 PolarHBondContact O-ND2 2.87Å; T314-N317 VanDerWaalsContact O-ND2 3.16Å; A315-N317 PolarHBondContact O-N 2.9Å; N317-S325 VanDerWaalsContact O-CA 3.23Å; N317-S325 WeakPolarHBondContact O-CA 3.39Å; N317-S325 WeakPolarHBondContact O-CB 3.39Å; N317-S325 PolarHBondContact O-OG 2.79Å; N317-L326 HydrophobicContact CB-CB 4.49Å; N317-L326 PolarHBondContact O-N 3.17Å; N317-L326 VanDerWaalsContact O-N 3.11Å; N317-L326 WeakPolarHBondContact OD1-CD1 3.26Å; N317-H327 VanDerWaalsContact CB-CD2 3.45Å; N317-H327 WeakPolarHBondContact CB-CD2 3.32Å; N317-Y337 PolarHBondContact ND2-OH 2.83Å; N317-Y337 VanDerWaalsContact OD1-CE2 3.32Å; N317-Y337 WeakPolarHBondContact OD1-CE2 3.2Å; N317-Y337 PolarHBondContact OD1-OH 3.38Å; N317-F406 HydrophobicContact CB-CD2 4.2Å; N317-F406 HydrophobicContact CB-CE2 4.1Å; N317-D443 PolarHBondContact N-OD2 3.36Å; N317-D443 VanDerWaalsContact N-OD2 3.15Å; N317-D443 PolarHBondContact ND2-OD1 3.47Å; N317-D443 VanDerWaalsContact OD1-CB 3.24Å; N317-D443 WeakPolarHBondContact OD1-CB 3.47Å; N317-D443 VanDerWaalsContact OD1-CG 3.24Å
318	G	93.3	Very high	94.5	Very high	29 Å²	29	41.8 Å²	41.8	30%	0.299	24%	0.238	S	C	.	.			trans	72.5	173.4	-174.6	0	0	0	0	0	113.7	A315 S316 S325 F406	A315-G318 PolarHBondContact O-N 2.63Å; A315-G318 VanDerWaalsContact O-N 3.09Å; S316-G318 PolarHBondContact O-N 2.63Å; G318-S325 PolarHBondContact O-OG 2.94Å; G318-F406 WeakPolarHBondContact O-CD2 3.22Å; G318-F406 WeakPolarHBondContact O-CE2 3.29Å
319	N	91.3	Very high	93.9	Very high	72 Å²	72	44.5 Å²	44.5	39%	0.385	25%	0.251	S	S	.	.			trans	-70.4	123.4	-176.6	179.1	-10.2	0	0	0	111.1	R321 E322 S325	N319-R321 PolarHBondContact O-N 3.41Å; N319-R321 WeakPolarHBondContact OD1-CB 3.1Å; N319-R321 PolarHBondContact OD1-N 3.13Å; N319-R321 VanDerWaalsContact OD1-N 3.14Å; N319-E322 HydrophobicContact CB-CB 4.48Å; N319-E322 HydrophobicContact CB-CG 4.03Å; N319-E322 PolarHBondContact ND2-OE1 2.84Å; N319-E322 WeakPolarHBondContact O-CB 3.25Å; N319-E322 PolarHBondContact O-N 2.83Å; N319-S325 WeakPolarHBondContact O-CB 3.24Å
320	P	90.5	Very high	93	Very high	25 Å²	25	47.7 Å²	47.7	16%	0.162	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-11.3	-174.3	25.8	-34.9	0	0	0	114.2	H327 L401 F406	P320-H327 HydrophobicContact CB-CB 3.97Å; P320-L401 HydrophobicContact CB-CB 4.48Å; P320-L401 HydrophobicContact CB-CD2 4.17Å; P320-F406 HydrophobicContact CB-CE2 4.22Å; P320-F406 HydrophobicContact CB-CZ 3.88Å; P320-F406 HydrophobicContact CG-CE1 4.16Å; P320-F406 HydrophobicContact CG-CE2 4.08Å; P320-F406 HydrophobicContact CG-CZ 3.71Å
321	R	89.2	Confident	92	Very high	189 Å²	189	53.1 Å²	53.1	71%	0.713	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	-14.1	173.5	-61.1	-178.5	-179.8	165.4	2.3	113.3	N319	N319-R321 PolarHBondContact O-N 3.41Å; N319-R321 WeakPolarHBondContact OD1-CB 3.1Å; N319-R321 PolarHBondContact OD1-N 3.13Å; N319-R321 VanDerWaalsContact OD1-N 3.14Å
322	E	92.4	Very high	90.5	Very high	94 Å²	94	61.1 Å²	61.1	44%	0.439	35%	0.346	S	S	.	.	S	Bend	trans	-96.8	133.6	-177	-67.2	174.5	-162.9	0	0	110.5	N319 S324 S325 Y328	N319-E322 HydrophobicContact CB-CB 4.48Å; N319-E322 HydrophobicContact CB-CG 4.03Å; N319-E322 PolarHBondContact ND2-OE1 2.84Å; N319-E322 WeakPolarHBondContact O-CB 3.25Å; N319-E322 PolarHBondContact O-N 2.83Å; E322-S324 PolarHBondContact O-N 2.93Å; E322-S325 WeakPolarHBondContact O-CB 3.33Å; E322-S325 PolarHBondContact O-N 2.97Å; E322-Y328 WeakPolarHBondContact O-CB 3.17Å; E322-Y328 WeakPolarHBondContact O-CD2 3.15Å
323	P	91.2	Very high	89.2	Confident	100 Å²	100	63.1 Å²	63.1	65%	0.649	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.6	179.7	-27.8	35.8	0	0	0	115.8	S325 Y328	P323-S325 VanDerWaalsContact C-N 3.33Å; P323-Y328 HydrophobicContact CB-CD1 4.37Å; P323-Y328 HydrophobicContact CB-CE1 4.22Å; P323-Y328 HydrophobicContact CG-CE1 4.44Å; P323-Y328 HydrophobicContact CG-CE2 4.16Å
324	S	91.6	Very high	88.5	Confident	100 Å²	100	65.9 Å²	65.9	70%	0.699	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-12	176.1	47.1	0	0	0	0	113.9	E322	E322-S324 PolarHBondContact O-N 2.93Å
325	S	94.6	Very high	88.3	Confident	9 Å²	9	66.4 Å²	66.4	6%	0.063	39%	0.388	C	S	.	.	S	Bend	trans	-74.6	143	179.7	175.1	0	0	0	0	111.9	N317 G318 N319 E322 P323 H327 Y328	N317-S325 VanDerWaalsContact O-CA 3.23Å; N317-S325 WeakPolarHBondContact O-CA 3.39Å; N317-S325 WeakPolarHBondContact O-CB 3.39Å; N317-S325 PolarHBondContact O-OG 2.79Å; G318-S325 PolarHBondContact O-OG 2.94Å; N319-S325 WeakPolarHBondContact O-CB 3.24Å; E322-S325 WeakPolarHBondContact O-CB 3.33Å; E322-S325 PolarHBondContact O-N 2.97Å; P323-S325 VanDerWaalsContact C-N 3.33Å; S325-H327 PolarHBondContact O-N 2.74Å; S325-H327 PolarHBondContact OG-N 3.02Å; S325-H327 VanDerWaalsContact OG-N 3.13Å; S325-Y328 VanDerWaalsContact O-CB 3.26Å; S325-Y328 WeakPolarHBondContact O-CB 3.23Å; S325-Y328 PolarHBondContact O-N 3.38Å; S325-Y328 VanDerWaalsContact O-N 3.1Å
326	L	95.1	Very high	88.3	Confident	42 Å²	42	65 Å²	65	22%	0.22	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-19.2	173.4	-62.3	174.7	0	0	0	112.6	N317 N335 Y337 D443 V471	N317-L326 HydrophobicContact CB-CB 4.49Å; N317-L326 PolarHBondContact O-N 3.17Å; N317-L326 VanDerWaalsContact O-N 3.11Å; N317-L326 WeakPolarHBondContact OD1-CD1 3.26Å; L326-N335 VanDerWaalsContact O-CB 3.31Å; L326-N335 WeakPolarHBondContact O-CB 3.21Å; L326-Y337 HydrophobicContact CB-CD2 4.39Å; L326-Y337 HydrophobicContact CB-CE2 3.92Å; L326-D443 HydrophobicContact CD1-CB 3.32Å; L326-V471 HydrophobicContact CD1-CG2 4.36Å
327	H	95.8	Very high	88.4	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	2.1	173.5	-72.6	-70.6	0	0	0	114	D312 F313 N317 P320 S325 I329 N335 Y337 Y397 L401 F406	D312-H327 PolarHBondContact O-CE1 3.29Å; D312-H327 PolarHBondContact O-NE2 2.87Å; F313-H327 AromaticContact CD1-CE1 3.82Å; F313-H327 AromaticContact CD1-NE2 3.96Å; F313-H327 AromaticContact CE1-CE1 3.97Å; N317-H327 VanDerWaalsContact CB-CD2 3.45Å; N317-H327 WeakPolarHBondContact CB-CD2 3.32Å; P320-H327 HydrophobicContact CB-CB 3.97Å; S325-H327 PolarHBondContact O-N 2.74Å; S325-H327 PolarHBondContact OG-N 3.02Å; S325-H327 VanDerWaalsContact OG-N 3.13Å; H327-I329 PolarHBondContact O-N 2.83Å; H327-I329 VanDerWaalsContact O-N 3.16Å; H327-N335 PolarHBondContact O-ND2 3.42Å; H327-Y337 AromaticContact CE1-CD1 3.71Å; H327-Y337 AromaticContact CE1-CD2 3.54Å; H327-Y337 AromaticContact CE1-CE1 3.56Å; H327-Y337 AromaticContact CE1-CE2 3.4Å; H327-Y337 WeakPolarHBondContact CE1-CE2 3.26Å; H327-Y337 AromaticContact CE1-CG 3.7Å; H327-Y337 AromaticContact CE1-CZ 3.42Å; H327-Y337 VanDerWaalsContact CE1-CZ 3.42Å; H327-Y337 AromaticContact ND1-CD2 3.63Å; H327-Y337 AromaticContact ND1-CE2 3.85Å; H327-Y337 AromaticContact ND1-CG 3.89Å; H327-Y337 AromaticContact NE2-CE2 3.54Å; H327-Y337 AromaticContact NE2-CZ 3.51Å; H327-Y397 AromaticContact CE1-CE2 3.96Å; H327-Y397 AromaticContact ND1-CE2 3.48Å; H327-Y397 WeakPolarHBondContact ND1-CE2 3.21Å; H327-Y397 AromaticContact ND1-CZ 3.58Å; H327-Y397 PolarHBondContact ND1-OH 3.05Å; H327-L401 HydrophobicContact CB-CD1 4.42Å; H327-L401 HydrophobicContact CB-CD2 3.83Å; H327-F406 HydrophobicContact CB-CE2 4.02Å; H327-F406 HydrophobicContact CB-CZ 3.82Å; H327-F406 AromaticContact CD2-CE2 3.26Å; H327-F406 WeakPolarHBondContact CD2-CE2 3.22Å; H327-F406 AromaticContact CD2-CZ 3.33Å; H327-F406 WeakPolarHBondContact CD2-CZ 3.41Å; H327-F406 AromaticContact CG-CE2 3.9Å; H327-F406 AromaticContact CG-CZ 3.66Å
328	Y	93.9	Very high	88.4	Confident	69 Å²	69	62.6 Å²	62.6	27%	0.271	35%	0.353	S	S	.	.			trans	-58.6	123.2	179.6	-179	-110.3	0	0	0	110.8	E322 P323 S325 N330 N335	E322-Y328 WeakPolarHBondContact O-CB 3.17Å; E322-Y328 WeakPolarHBondContact O-CD2 3.15Å; P323-Y328 HydrophobicContact CB-CD1 4.37Å; P323-Y328 HydrophobicContact CB-CE1 4.22Å; P323-Y328 HydrophobicContact CG-CE1 4.44Å; P323-Y328 HydrophobicContact CG-CE2 4.16Å; S325-Y328 VanDerWaalsContact O-CB 3.26Å; S325-Y328 WeakPolarHBondContact O-CB 3.23Å; S325-Y328 PolarHBondContact O-N 3.38Å; S325-Y328 VanDerWaalsContact O-N 3.1Å; Y328-N330 HydrophobicContact CD1-CB 4.27Å; Y328-N330 HydrophobicContact CE1-CB 4.06Å; Y328-N330 PolarHBondContact O-N 3.16Å; Y328-N335 WeakPolarHBondContact O-CB 3.3Å; Y328-N335 PolarHBondContact O-ND2 2.9Å
329	I	86.3	Confident	88.3	Confident	67 Å²	67	62.3 Å²	62.3	34%	0.344	35%	0.346	S	S	.	.			trans	-88.9	101.1	174.2	-62.4	-177.5	0	0	0	107.8	H327 P331 L401	H327-I329 PolarHBondContact O-N 2.83Å; H327-I329 VanDerWaalsContact O-N 3.16Å; I329-P331 WeakPolarHBondContact O-CD 3.46Å; I329-L401 HydrophobicContact CD1-CD1 3.61Å; I329-L401 HydrophobicContact CG1-CD1 3.88Å
330	N	80.2	Confident	88.5	Confident	68 Å²	68	58.9 Å²	58.9	36%	0.364	33%	0.328	S	S	.	.			trans	-68.7	125.4	174.5	-177.1	-11.2	0	0	0	110	Y328 L332 G333	Y328-N330 HydrophobicContact CD1-CB 4.27Å; Y328-N330 HydrophobicContact CE1-CB 4.06Å; Y328-N330 PolarHBondContact O-N 3.16Å; N330-L332 PolarHBondContact O-N 3.36Å; N330-L332 PolarHBondContact OD1-N 3.16Å; N330-G333 PolarHBondContact O-N 3.12Å; N330-G333 VanDerWaalsContact O-N 3.13Å
331	P	75.1	Confident	88.7	Confident	114 Å²	114	57.7 Å²	57.7	74%	0.74	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-19.7	175.4	-25.7	34.7	0	0	0	115	I329	I329-P331 WeakPolarHBondContact O-CD 3.46Å
332	L	68.3	Low	88.9	Confident	168 Å²	168	50.8 Å²	50.8	88%	0.88	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	3.1	-178.2	-63	172.3	0	0	0	113.6	N330	N330-L332 PolarHBondContact O-N 3.36Å; N330-L332 PolarHBondContact OD1-N 3.16Å
333	G	69.6	Low	88.8	Confident	41 Å²	41	47 Å²	47	42%	0.423	28%	0.282	S	S	.	.	S	Bend	trans	-160.6	-171	-172.2	0	0	0	0	0	114.6	N330	N330-G333 PolarHBondContact O-N 3.12Å; N330-G333 VanDerWaalsContact O-N 3.13Å
334	S	82.3	Confident	88.8	Confident	58 Å²	58	42.2 Å²	42.2	41%	0.406	25%	0.251	S	S	.	.			trans	-111.1	160.4	173.7	55.6	0	0	0	0	110.9	S339	S334-S339 PolarHBondContact OG-OG 3.32Å
335	N	92.1	Very high	88.9	Confident	15 Å²	15	37.5 Å²	37.5	8%	0.08	22%	0.218	C	C	.	.			trans	-95.7	172.6	163.5	56.1	47.3	0	0	0	111.3	L326 H327 Y328 Y337 L338 S339 Y397	L326-N335 VanDerWaalsContact O-CB 3.31Å; L326-N335 WeakPolarHBondContact O-CB 3.21Å; H327-N335 PolarHBondContact O-ND2 3.42Å; Y328-N335 WeakPolarHBondContact O-CB 3.3Å; Y328-N335 PolarHBondContact O-ND2 2.9Å; N335-Y337 VanDerWaalsContact C-N 3.34Å; N335-Y337 PolarHBondContact O-N 3.47Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.44Å; N335-Y337 PolarHBondContact OD1-N 3.48Å; N335-L338 PolarHBondContact O-N 3.25Å; N335-L338 WeakPolarHBondContact OD1-CB 3.18Å; N335-L338 PolarHBondContact OD1-N 3.31Å; N335-S339 WeakPolarHBondContact O-CB 3.27Å; N335-S339 PolarHBondContact O-N 3.33Å; N335-S339 PolarHBondContact O-OG 2.82Å; N335-Y397 PolarHBondContact ND2-OH 2.91Å; N335-Y397 PolarHBondContact OD1-OH 3.24Å
336	E	93.8	Very high	88.8	Confident	29 Å²	29	40.3 Å²	40.3	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-39.6	-176.7	-60.2	-168.8	178.2	0	0	111.8	S339 A340 V471 G472 F507 R511	E336-S339 PolarHBondContact O-N 2.79Å; E336-A340 WeakPolarHBondContact O-CB 3.29Å; E336-A340 PolarHBondContact O-N 3.24Å; E336-V471 HydrophobicContact CB-CB 3.86Å; E336-V471 HydrophobicContact CB-CG1 3.63Å; E336-V471 WeakPolarHBondContact OE2-CA 3.4Å; E336-V471 WeakPolarHBondContact OE2-CB 3.22Å; E336-G472 PolarHBondContact OE2-N 2.86Å; E336-F507 HydrophobicContact CB-CD1 3.86Å; E336-F507 HydrophobicContact CB-CE1 3.92Å; E336-F507 HydrophobicContact CB-CG 4.22Å; E336-F507 HydrophobicContact CB-CZ 4.29Å; E336-F507 HydrophobicContact CG-CD1 3.67Å; E336-F507 HydrophobicContact CG-CE1 3.62Å; E336-F507 HydrophobicContact CG-CG 4.5Å; E336-F507 HydrophobicContact CG-CZ 4.39Å; E336-R511 IonicContact OE1-CZ 3.03Å; E336-R511 IonicContact OE1-NE 2.64Å; E336-R511 PolarHBondContact OE1-NE 2.93Å; E336-R511 IonicContact OE1-NH2 2.77Å; E336-R511 PolarHBondContact OE1-NH2 2.89Å; E336-R511 IonicContact OE2-NH2 2.78Å
337	Y	95.9	Very high	88.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-56.5	-54.4	173.7	-77.4	-89.3	0	0	0	112.4	I311 D312 N317 L326 H327 N335 S339 A340 I341 Y397 I441 D443 V471	I311-Y337 HydrophobicContact CG2-CD1 3.78Å; I311-Y337 HydrophobicContact CG2-CE1 3.97Å; D312-Y337 HydrophobicContact CB-CE1 4.32Å; N317-Y337 PolarHBondContact ND2-OH 2.83Å; N317-Y337 VanDerWaalsContact OD1-CE2 3.32Å; N317-Y337 WeakPolarHBondContact OD1-CE2 3.2Å; N317-Y337 PolarHBondContact OD1-OH 3.38Å; L326-Y337 HydrophobicContact CB-CD2 4.39Å; L326-Y337 HydrophobicContact CB-CE2 3.92Å; H327-Y337 AromaticContact CE1-CD1 3.71Å; H327-Y337 AromaticContact CE1-CD2 3.54Å; H327-Y337 AromaticContact CE1-CE1 3.56Å; H327-Y337 AromaticContact CE1-CE2 3.4Å; H327-Y337 WeakPolarHBondContact CE1-CE2 3.26Å; H327-Y337 AromaticContact CE1-CG 3.7Å; H327-Y337 AromaticContact CE1-CZ 3.42Å; H327-Y337 VanDerWaalsContact CE1-CZ 3.42Å; H327-Y337 AromaticContact ND1-CD2 3.63Å; H327-Y337 AromaticContact ND1-CE2 3.85Å; H327-Y337 AromaticContact ND1-CG 3.89Å; H327-Y337 AromaticContact NE2-CE2 3.54Å; H327-Y337 AromaticContact NE2-CZ 3.51Å; N335-Y337 VanDerWaalsContact C-N 3.34Å; N335-Y337 PolarHBondContact O-N 3.47Å; N335-Y337 WeakPolarHBondContact OD1-CB 3.44Å; N335-Y337 PolarHBondContact OD1-N 3.48Å; Y337-S339 VanDerWaalsContact C-N 3.27Å; Y337-S339 PolarHBondContact O-N 3.45Å; Y337-A340 PolarHBondContact O-N 3.18Å; Y337-I341 VanDerWaalsContact O-CG1 3.29Å; Y337-I341 WeakPolarHBondContact O-CG1 3.35Å; Y337-I341 PolarHBondContact O-N 3.39Å; Y337-Y397 WeakPolarHBondContact CB-OH 3.46Å; Y337-I441 HydrophobicContact CD1-CB 3.81Å; Y337-I441 HydrophobicContact CD1-CG2 3.35Å; Y337-I441 HydrophobicContact CE1-CB 3.96Å; Y337-I441 HydrophobicContact CE1-CG2 3.58Å; Y337-I441 WeakPolarHBondContact CE1-O 3.38Å; Y337-I441 HydrophobicContact CG-CG2 4.09Å; Y337-D443 PolarHBondContact OH-N 3.37Å; Y337-V471 HydrophobicContact CD2-CG2 4.01Å; Y337-V471 HydrophobicContact CE1-CG2 4.26Å; Y337-V471 HydrophobicContact CE2-CG2 3.43Å; Y337-V471 VanDerWaalsContact CE2-CG2 3.43Å
338	L	93.7	Very high	88.5	Confident	26 Å²	26	38.7 Å²	38.7	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-63	-37.5	179.9	-179	59.4	0	0	0	111.6	N335 I341 L342 A394 Y397	N335-L338 PolarHBondContact O-N 3.25Å; N335-L338 WeakPolarHBondContact OD1-CB 3.18Å; N335-L338 PolarHBondContact OD1-N 3.31Å; L338-I341 PolarHBondContact O-N 3.23Å; L338-L342 HydrophobicContact CD1-CD1 4.18Å; L338-L342 HydrophobicContact CD1-CG 4.28Å; L338-L342 HydrophobicContact CG-CD1 4.09Å; L338-L342 WeakPolarHBondContact O-CB 3.14Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.11Å; L338-L342 PolarHBondContact O-N 2.69Å; L338-A394 HydrophobicContact CD1-CB 3.53Å; L338-Y397 HydrophobicContact CB-CE1 4.19Å
339	S	92.6	Very high	88.6	Confident	23 Å²	23	36.5 Å²	36.5	16%	0.161	21%	0.214	C	C	.	.	H	α-helix	trans	-66.1	-40.5	178.3	-53.6	0	0	0	0	111.6	S334 N335 E336 Y337 A343	S334-S339 PolarHBondContact OG-OG 3.32Å; N335-S339 WeakPolarHBondContact O-CB 3.27Å; N335-S339 PolarHBondContact O-N 3.33Å; N335-S339 PolarHBondContact O-OG 2.82Å; E336-S339 PolarHBondContact O-N 2.79Å; Y337-S339 VanDerWaalsContact C-N 3.27Å; Y337-S339 PolarHBondContact O-N 3.45Å; S339-A343 VanDerWaalsContact O-CB 3.26Å; S339-A343 WeakPolarHBondContact O-CB 3.33Å; S339-A343 PolarHBondContact O-N 2.91Å
340	A	94.2	Very high	89	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-65.9	-45.2	175	0	0	0	0	0	112.4	E336 Y337 L342 A343 V344 I441 I469 F507	E336-A340 WeakPolarHBondContact O-CB 3.29Å; E336-A340 PolarHBondContact O-N 3.24Å; Y337-A340 PolarHBondContact O-N 3.18Å; A340-L342 VanDerWaalsContact C-N 3.32Å; A340-L342 PolarHBondContact O-N 3.34Å; A340-A343 PolarHBondContact O-N 2.79Å; A340-V344 PolarHBondContact O-N 3.16Å; A340-V344 VanDerWaalsContact O-N 3.16Å; A340-I441 HydrophobicContact CB-CD1 3.91Å; A340-I441 HydrophobicContact CB-CG1 4.41Å; A340-I441 HydrophobicContact CB-CG2 4.45Å; A340-I469 HydrophobicContact CB-CD1 3.86Å; A340-I469 HydrophobicContact CB-CG2 4.06Å; A340-F507 HydrophobicContact CB-CD2 4.23Å; A340-F507 HydrophobicContact CB-CE2 4.31Å
341	I	95.1	Very high	89.7	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-55.1	-49.1	174.8	-68.6	166.5	0	0	0	110.4	V309 I311 Y337 L338 G345 V390 I393 Y397 I441	V309-I341 HydrophobicContact CG1-CG1 4.29Å; I311-I341 HydrophobicContact CD1-CD1 3.75Å; I311-I341 HydrophobicContact CG1-CD1 4.48Å; Y337-I341 VanDerWaalsContact O-CG1 3.29Å; Y337-I341 WeakPolarHBondContact O-CG1 3.35Å; Y337-I341 PolarHBondContact O-N 3.39Å; L338-I341 PolarHBondContact O-N 3.23Å; I341-G345 WeakPolarHBondContact O-CA 3.43Å; I341-G345 PolarHBondContact O-N 2.82Å; I341-V390 HydrophobicContact CG2-CG1 4.04Å; I341-I393 HydrophobicContact CD1-CG2 4.42Å; I341-I393 HydrophobicContact CG2-CB 4.31Å; I341-I393 HydrophobicContact CG2-CG2 3.87Å; I341-Y397 HydrophobicContact CD1-CG 4.35Å; I341-I441 HydrophobicContact CD1-CD1 4.33Å; I341-I441 HydrophobicContact CG1-CD1 3.5Å; I341-I441 VanDerWaalsContact CG1-CD1 3.5Å
342	L	92.6	Very high	90.5	Very high	43 Å²	43	26 Å²	26	23%	0.225	15%	0.152	C	C	.	.	H	α-helix	trans	-67.6	-46.4	-178.5	-68.9	170.5	0	0	0	111.7	L338 A340 V344 Q346 V390	L338-L342 HydrophobicContact CD1-CD1 4.18Å; L338-L342 HydrophobicContact CD1-CG 4.28Å; L338-L342 HydrophobicContact CG-CD1 4.09Å; L338-L342 WeakPolarHBondContact O-CB 3.14Å; L338-L342 VanDerWaalsContact O-CG 3.27Å; L338-L342 WeakPolarHBondContact O-CG 3.11Å; L338-L342 PolarHBondContact O-N 2.69Å; A340-L342 VanDerWaalsContact C-N 3.32Å; A340-L342 PolarHBondContact O-N 3.34Å; L342-V344 PolarHBondContact O-N 3.4Å; L342-Q346 WeakPolarHBondContact O-CB 3.48Å; L342-Q346 WeakPolarHBondContact O-CG 3.34Å; L342-Q346 PolarHBondContact O-N 2.87Å; L342-V390 HydrophobicContact CD2-CG1 4.13Å
343	A	90.1	Very high	91.5	Very high	15 Å²	15	22.1 Å²	22.1	12%	0.124	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-43.5	-176.3	0	0	0	0	0	112.7	S339 A340 L518	S339-A343 VanDerWaalsContact O-CB 3.26Å; S339-A343 WeakPolarHBondContact O-CB 3.33Å; S339-A343 PolarHBondContact O-N 2.91Å; A340-A343 PolarHBondContact O-N 2.79Å; A343-L518 HydrophobicContact CB-CD2 3.91Å; A343-L518 HydrophobicContact CB-CG 4.43Å
344	V	91.4	Very high	92.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-83	-48.9	-179.2	-179.7	0	0	0	0	111.1	F307 A340 L342 Q346 I347 I348 L439 I469 V522 L523	F307-V344 HydrophobicContact CE2-CG1 4.1Å; F307-V344 HydrophobicContact CZ-CG1 4.09Å; A340-V344 PolarHBondContact O-N 3.16Å; A340-V344 VanDerWaalsContact O-N 3.16Å; L342-V344 PolarHBondContact O-N 3.4Å; V344-Q346 VanDerWaalsContact C-N 3.29Å; V344-Q346 PolarHBondContact O-N 3.4Å; V344-I347 PolarHBondContact O-N 3.2Å; V344-I348 HydrophobicContact CG1-CD1 3.7Å; V344-I348 HydrophobicContact CG1-CG1 4.29Å; V344-I348 PolarHBondContact O-N 2.9Å; V344-I348 VanDerWaalsContact O-N 3.14Å; V344-L439 HydrophobicContact CB-CD2 4.01Å; V344-L439 HydrophobicContact CG1-CD2 4.15Å; V344-L439 HydrophobicContact CG2-CD1 4.48Å; V344-L439 HydrophobicContact CG2-CD2 4.3Å; V344-I469 HydrophobicContact CG2-CD1 3.73Å; V344-V522 HydrophobicContact CG1-CG1 4.42Å; V344-V522 HydrophobicContact CG2-CB 4.26Å; V344-V522 HydrophobicContact CG2-CG1 3.54Å; V344-L523 HydrophobicContact CG1-CD2 4.12Å
345	G	93.6	Very high	93.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.3	-39.5	-174.1	0	0	0	0	0	111.9	I341 I347 I348 Q349 V390	I341-G345 WeakPolarHBondContact O-CA 3.43Å; I341-G345 PolarHBondContact O-N 2.82Å; G345-I347 PolarHBondContact O-N 2.84Å; G345-I347 VanDerWaalsContact O-N 3.16Å; G345-I348 PolarHBondContact O-N 3.48Å; G345-Q349 VanDerWaalsContact O-CB 3.28Å; G345-Q349 WeakPolarHBondContact O-CB 3.42Å; G345-Q349 VanDerWaalsContact O-CG 3.29Å; G345-Q349 WeakPolarHBondContact O-CG 3.04Å; G345-Q349 PolarHBondContact O-N 2.84Å; G345-V390 WeakPolarHBondContact O-CG2 3.16Å
346	Q	93	Very high	93.3	Very high	69 Å²	69	26.2 Å²	26.2	32%	0.322	14%	0.139	S	C	.	.	H	α-helix	trans	-62.4	-25.3	-176	-77.1	179.4	-22.5	0	0	113.7	I87 L342 V344 Q349	I87-Q346 HydrophobicContact CD1-CB 3.68Å; L342-Q346 WeakPolarHBondContact O-CB 3.48Å; L342-Q346 WeakPolarHBondContact O-CG 3.34Å; L342-Q346 PolarHBondContact O-N 2.87Å; V344-Q346 VanDerWaalsContact C-N 3.29Å; V344-Q346 PolarHBondContact O-N 3.4Å; Q346-Q349 WeakPolarHBondContact O-CG 3.4Å
347	I	93.1	Very high	93.4	Very high	7 Å²	7	24.8 Å²	24.8	4%	0.036	13%	0.133	C	C	.	.	H	α-helix	trans	-89.5	-52.5	176.6	-66.9	158.7	0	0	0	110.4	F84 E85 I87 V344 G345 Q349 D350 Y351 A519 L523	F84-I347 WeakPolarHBondContact O-CG2 3.33Å; E85-I347 VanDerWaalsContact O-CD1 3.28Å; E85-I347 WeakPolarHBondContact O-CD1 3.23Å; I87-I347 HydrophobicContact CD1-CG1 4.23Å; I87-I347 HydrophobicContact CG1-CD1 4.3Å; I87-I347 HydrophobicContact CG1-CG1 3.48Å; I87-I347 VanDerWaalsContact CG1-CG1 3.48Å; V344-I347 PolarHBondContact O-N 3.2Å; G345-I347 PolarHBondContact O-N 2.84Å; G345-I347 VanDerWaalsContact O-N 3.16Å; I347-Q349 PolarHBondContact O-N 2.94Å; I347-D350 PolarHBondContact O-N 2.74Å; I347-Y351 HydrophobicContact CG2-CE2 4.34Å; I347-Y351 WeakPolarHBondContact O-CD2 3.26Å; I347-Y351 WeakPolarHBondContact O-CE2 3.12Å; I347-A519 HydrophobicContact CD1-CB 3.36Å; I347-L523 HydrophobicContact CB-CD1 3.8Å; I347-L523 HydrophobicContact CD1-CD1 3.73Å; I347-L523 HydrophobicContact CG1-CD1 4.4Å; I347-L523 HydrophobicContact CG2-CD1 3.57Å
348	I	92.4	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61	-33.8	-175.5	-67.8	-174.3	0	0	0	111.6	L305 F307 V344 G345 D350 Y351 T437 L523 L526	L305-I348 HydrophobicContact CB-CG2 4.5Å; F307-I348 HydrophobicContact CB-CG2 3.68Å; F307-I348 HydrophobicContact CD2-CB 4.42Å; F307-I348 HydrophobicContact CD2-CD1 3.82Å; F307-I348 HydrophobicContact CD2-CG2 3.89Å; F307-I348 HydrophobicContact CE2-CD1 3.8Å; F307-I348 HydrophobicContact CG-CB 4.46Å; F307-I348 HydrophobicContact CG-CG2 3.79Å; V344-I348 HydrophobicContact CG1-CD1 3.7Å; V344-I348 HydrophobicContact CG1-CG1 4.29Å; V344-I348 PolarHBondContact O-N 2.9Å; V344-I348 VanDerWaalsContact O-N 3.14Å; G345-I348 PolarHBondContact O-N 3.48Å; I348-D350 PolarHBondContact O-N 2.74Å; I348-Y351 PolarHBondContact O-N 2.95Å; I348-T437 HydrophobicContact CD1-CG2 3.95Å; I348-L523 HydrophobicContact CD1-CD2 3.68Å; I348-L523 HydrophobicContact CG1-CD2 3.81Å; I348-L526 HydrophobicContact CD1-CD2 4.21Å
349	Q	94.6	Very high	93.7	Very high	24 Å²	24	24.4 Å²	24.4	11%	0.112	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-59.7	-18.7	-176.5	68.3	166.8	-49.1	0	0	114.7	G345 Q346 I347 K355 F357 V390	G345-Q349 VanDerWaalsContact O-CB 3.28Å; G345-Q349 WeakPolarHBondContact O-CB 3.42Å; G345-Q349 VanDerWaalsContact O-CG 3.29Å; G345-Q349 WeakPolarHBondContact O-CG 3.04Å; G345-Q349 PolarHBondContact O-N 2.84Å; Q346-Q349 WeakPolarHBondContact O-CG 3.4Å; I347-Q349 PolarHBondContact O-N 2.94Å; Q349-K355 PolarHBondContact O-NZ 3.31Å; Q349-F357 HydrophobicContact CB-CE2 3.73Å; Q349-F357 HydrophobicContact CB-CZ 3.58Å; Q349-V390 HydrophobicContact CB-CG2 3.9Å; Q349-V390 HydrophobicContact CG-CG2 4.05Å
350	D	95.1	Very high	94	Very high	16 Å²	16	23.7 Å²	23.7	9%	0.086	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-77.2	-14.7	179.2	-72.7	-16.4	0	0	0	112.8	T116 V119 S122 I347 I348 K355	T116-D350 VanDerWaalsContact CB-OD2 3.32Å; T116-D350 WeakPolarHBondContact CB-OD2 3.33Å; T116-D350 VanDerWaalsContact OG1-CG 3.31Å; T116-D350 PolarHBondContact OG1-OD2 3.16Å; V119-D350 HydrophobicContact CG2-CB 3.98Å; V119-D350 WeakPolarHBondContact CG2-OD1 3.45Å; S122-D350 WeakPolarHBondContact CB-O 3.48Å; S122-D350 PolarHBondContact OG-O 2.96Å; I347-D350 PolarHBondContact O-N 2.74Å; I348-D350 PolarHBondContact O-N 2.74Å; D350-K355 IonicContact OD1-NZ 3.61Å; D350-K355 PolarHBondContact OD1-NZ 3.26Å
351	Y	94.6	Very high	94.1	Very high	5 Å²	5	23.7 Å²	23.7	2%	0.02	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-102.4	6.6	179.5	-52.6	-85.2	0	0	0	112.9	Y82 F84 V121 I299 Q304 L305 I347 I348	Y82-Y351 WeakPolarHBondContact CE2-OH 3.47Å; Y82-Y351 VanDerWaalsContact OH-CE1 3.27Å; Y82-Y351 WeakPolarHBondContact OH-CE1 3.49Å; Y82-Y351 VanDerWaalsContact OH-CZ 3.28Å; Y82-Y351 PolarHBondContact OH-OH 3.34Å; F84-Y351 HydrophobicContact CD2-CD2 4.47Å; F84-Y351 HydrophobicContact CD2-CE1 4.2Å; F84-Y351 AromaticContact CD2-CE2 3.77Å; F84-Y351 HydrophobicContact CD2-CE2 3.77Å; F84-Y351 AromaticContact CD2-CZ 3.61Å; F84-Y351 AromaticContact CE2-CD2 3.83Å; F84-Y351 HydrophobicContact CE2-CD2 3.83Å; F84-Y351 HydrophobicContact CE2-CE1 4.34Å; F84-Y351 AromaticContact CE2-CE2 3.52Å; F84-Y351 HydrophobicContact CE2-CE2 3.52Å; F84-Y351 HydrophobicContact CE2-CG 4.36Å; F84-Y351 AromaticContact CE2-CZ 3.81Å; V121-Y351 HydrophobicContact CG2-CE1 4.08Å; I299-Y351 HydrophobicContact CD1-CD1 4.05Å; I299-Y351 HydrophobicContact CG1-CD1 4.24Å; I299-Y351 HydrophobicContact CG2-CD1 3.77Å; I299-Y351 HydrophobicContact CG2-CE1 4.06Å; Q304-Y351 WeakPolarHBondContact CA-O 3.34Å; L305-Y351 HydrophobicContact CD1-CD2 4.43Å; L305-Y351 HydrophobicContact CD1-CG 4.09Å; L305-Y351 PolarHBondContact N-O 3.5Å; I347-Y351 HydrophobicContact CG2-CE2 4.34Å; I347-Y351 WeakPolarHBondContact O-CD2 3.26Å; I347-Y351 WeakPolarHBondContact O-CE2 3.12Å; I348-Y351 PolarHBondContact O-N 2.95Å
352	D	92.6	Very high	94.2	Very high	7 Å²	7	23.7 Å²	23.7	4%	0.037	13%	0.126	C	C	.	.			trans	-114.1	131.3	169.3	-168	-59.1	0	0	0	109.2	D354 K355 F357	D352-D354 PolarHBondContact OD1-N 3.01Å; D352-K355 PolarHBondContact OD1-N 2.92Å; D352-F357 HydrophobicContact CB-CE1 3.63Å; D352-F357 HydrophobicContact CB-CZ 4.02Å
353	T	88.4	Confident	94.3	Very high	86 Å²	86	21.6 Å²	21.6	53%	0.528	12%	0.115	S	C	.	.	S	Bend	trans	-80.1	-37.6	-173.3	-60	0	0	0	0	113.2	Q304	Q304-T353 VanDerWaalsContact NE2-CB 3.29Å; Q304-T353 PolarHBondContact NE2-OG1 2.76Å
354	D	90.4	Very high	94.5	Very high	96 Å²	96	20.9 Å²	20.9	51%	0.513	11%	0.109	S	C	.	.	S	Bend	trans	-91.3	-17.7	-178.2	69.9	22.1	0	0	0	112.4	D352 M356	D352-D354 PolarHBondContact OD1-N 3.01Å; D354-M356 HydrophobicContact CB-CG 4.22Å; D354-M356 PolarHBondContact O-N 2.91Å; D354-M356 VanDerWaalsContact OD1-CB 3.31Å; D354-M356 WeakPolarHBondContact OD1-CB 3.4Å; D354-M356 PolarHBondContact OD1-N 3.47Å
355	K	94.9	Very high	94.8	Very high	46 Å²	46	22.8 Å²	22.8	20%	0.2	12%	0.118	C	C	.	.			trans	56.2	29.8	-178.9	-60	177.5	173.7	-80.1	0	111.8	Q349 D350 D352 F357 G389	Q349-K355 PolarHBondContact O-NZ 3.31Å; D350-K355 IonicContact OD1-NZ 3.61Å; D350-K355 PolarHBondContact OD1-NZ 3.26Å; D352-K355 PolarHBondContact OD1-N 2.92Å; K355-F357 HydrophobicContact CB-CE2 4.1Å; K355-F357 HydrophobicContact CB-CZ 4.04Å; K355-F357 HydrophobicContact CG-CZ 4.41Å; K355-G389 PolarHBondContact O-N 3.19Å
356	M	96.4	Very high	94.8	Very high	58 Å²	58	24.2 Å²	24.2	29%	0.286	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	109.6	175.1	-63.9	-63.4	-61.4	0	0	108.2	D354 F386 Y388	D354-M356 HydrophobicContact CB-CG 4.22Å; D354-M356 PolarHBondContact O-N 2.91Å; D354-M356 VanDerWaalsContact OD1-CB 3.31Å; D354-M356 WeakPolarHBondContact OD1-CB 3.4Å; D354-M356 PolarHBondContact OD1-N 3.47Å; M356-F386 HydrophobicContact CB-CB 4.18Å; M356-F386 HydrophobicContact CB-CD1 3.82Å; M356-F386 HydrophobicContact CB-CG 4.38Å; M356-F386 HydrophobicContact CE-CB 3.66Å; M356-F386 VanDerWaalsContact O-CD1 3.32Å; M356-F386 WeakPolarHBondContact O-CD1 3.27Å; M356-Y388 HydrophobicContact SD-CD2 3.79Å; M356-Y388 HydrophobicContact SD-CG 4.45Å
357	F	97.3	Very high	94.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.9	-173.1	-55.3	-53.8	0	0	0	111.4	F307 Q349 D352 K355 A359 F386 C387 V390 I393	F307-F357 HydrophobicContact CB-CD1 3.68Å; F307-F357 HydrophobicContact CB-CE1 3.87Å; F307-F357 HydrophobicContact CD1-CD1 4.09Å; F307-F357 HydrophobicContact CD1-CE1 4.48Å; F307-F357 HydrophobicContact CD1-CG 4.14Å; F307-F357 HydrophobicContact CG-CD1 4.4Å; Q349-F357 HydrophobicContact CB-CE2 3.73Å; Q349-F357 HydrophobicContact CB-CZ 3.58Å; D352-F357 HydrophobicContact CB-CE1 3.63Å; D352-F357 HydrophobicContact CB-CZ 4.02Å; K355-F357 HydrophobicContact CB-CE2 4.1Å; K355-F357 HydrophobicContact CB-CZ 4.04Å; K355-F357 HydrophobicContact CG-CZ 4.41Å; F357-A359 PolarHBondContact O-N 2.8Å; F357-F386 CarbonylContact O-C 3.56Å; F357-F386 WeakPolarHBondContact O-CA 3.41Å; F357-C387 PolarHBondContact N-O 2.93Å; F357-C387 PolarHBondContact O-N 3.37Å; F357-V390 HydrophobicContact CE2-CG2 4.41Å; F357-I393 HydrophobicContact CB-CD1 3.61Å; F357-I393 HydrophobicContact CB-CG1 4.23Å; F357-I393 HydrophobicContact CD2-CD1 3.99Å; F357-I393 HydrophobicContact CG-CD1 4.14Å
358	P	97.4	Very high	94.6	Very high	18 Å²	18	29.3 Å²	29.3	12%	0.117	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	127.9	169	-20.3	32.2	0	0	0	110.5	F307 T308 V309 P385 F386	F307-P358 WeakPolarHBondContact O-CD 3.41Å; T308-P358 WeakPolarHBondContact CA-O 3.45Å; T308-P358 HydrophobicContact CG2-CB 4.09Å; V309-P358 PolarHBondContact N-O 3.38Å; P358-P385 WeakPolarHBondContact CA-O 3.37Å; P358-P385 HydrophobicContact CB-CB 4.49Å; P358-P385 HydrophobicContact CB-CG 4.25Å; P358-F386 HydrophobicContact CG-CD1 3.75Å; P358-F386 HydrophobicContact CG-CE1 3.47Å; P358-F386 VanDerWaalsContact CG-CE1 3.47Å; P358-F386 HydrophobicContact CG-CG 4.4Å; P358-F386 HydrophobicContact CG-CZ 3.89Å
359	A	97.8	Very high	94.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	113.3	175	0	0	0	0	0	109.8	F357 I378 P385 I393	F357-A359 PolarHBondContact O-N 2.8Å; A359-I378 HydrophobicContact CB-CD1 3.49Å; A359-I378 VanDerWaalsContact CB-CD1 3.49Å; A359-I378 HydrophobicContact CB-CG1 3.65Å; A359-I378 PolarHBondContact O-N 3.13Å; A359-P385 PolarHBondContact N-O 2.76Å; A359-P385 VanDerWaalsContact N-O 3.09Å; A359-I393 HydrophobicContact CB-CG1 4.24Å; A359-I393 HydrophobicContact CB-CG2 4.03Å
360	L	98.2	Very high	94.5	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	142.3	-171.9	-58	176.3	0	0	0	110.2	T308 V309 G310 I311 E375 F376 P385 I415	T308-L360 HydrophobicContact CG2-CD1 4.26Å; V309-L360 PolarHBondContact O-N 3.25Å; G310-L360 CarbonylContact C-O 3.58Å; G310-L360 WeakPolarHBondContact CA-O 3.38Å; I311-L360 PolarHBondContact N-O 3.15Å; L360-E375 HydrophobicContact CD1-CG 4.14Å; L360-F376 CarbonylContact C-O 3.54Å; L360-F376 VanDerWaalsContact CA-O 3.24Å; L360-F376 WeakPolarHBondContact CA-O 3.35Å; L360-P385 HydrophobicContact CD2-CB 3.95Å; L360-I415 HydrophobicContact CB-CD1 3.84Å; L360-I415 HydrophobicContact CD1-CD1 4.1Å; L360-I415 HydrophobicContact CD1-CG1 4.09Å
361	G	97.2	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	154.3	170.9	0	0	0	0	0	111.2	I311 E375 F376 I378	I311-G361 CarbonylContact O-C 3.57Å; I311-G361 VanDerWaalsContact O-CA 3.27Å; I311-G361 WeakPolarHBondContact O-CA 3.39Å; G361-E375 CarbonylContact O-C 3.49Å; G361-E375 WeakPolarHBondContact O-CA 3.44Å; G361-F376 PolarHBondContact N-O 3.36Å; G361-F376 WeakPolarHBondContact O-CD1 3.27Å; G361-F376 WeakPolarHBondContact O-CE1 3.49Å; G361-F376 PolarHBondContact O-N 2.85Å; G361-I378 VanDerWaalsContact N-CG2 3.35Å
362	F	96.4	Very high	94.3	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	154.7	172.9	60.2	-90.3	0	0	0	111.7	I311 D312 F313 H374 T410 F412 I415 I440	I311-F362 VanDerWaalsContact C-CE1 3.5Å; I311-F362 WeakPolarHBondContact O-CD1 3.44Å; I311-F362 PolarHBondContact O-N 3.22Å; D312-F362 HydrophobicContact CB-CE1 4.27Å; D312-F362 HydrophobicContact CB-CE2 3.66Å; D312-F362 HydrophobicContact CB-CZ 3.52Å; F313-F362 PolarHBondContact N-O 3.28Å; F362-H374 WeakPolarHBondContact CB-O 3.26Å; F362-T410 HydrophobicContact CE2-CG2 4.02Å; F362-F412 AromaticContact CE2-CD1 3.89Å; F362-F412 HydrophobicContact CE2-CD1 3.89Å; F362-F412 AromaticContact CE2-CE1 3.69Å; F362-F412 HydrophobicContact CE2-CE1 3.69Å; F362-F412 AromaticContact CZ-CD1 3.9Å; F362-F412 HydrophobicContact CZ-CD1 3.9Å; F362-F412 AromaticContact CZ-CE1 3.6Å; F362-F412 HydrophobicContact CZ-CE1 3.6Å; F362-I415 HydrophobicContact CD1-CD1 4.46Å; F362-I440 HydrophobicContact CE1-CG2 4.12Å; F362-I440 HydrophobicContact CZ-CG2 3.96Å
363	G	94.9	Very high	94.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	84.8	19.4	174.7	0	0	0	0	0	115.4	S373 Y407	G363-S373 PolarHBondContact N-O 3.27Å; G363-Y407 CarbonylContact O-C 3.55Å; G363-Y407 WeakPolarHBondContact O-CA 3.37Å; G363-Y407 PolarHBondContact O-N 3.32Å
364	A	95.7	Very high	94.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	156.6	-179.6	0	0	0	0	0	113	F313 S373 F376 I404 R405	F313-A364 HydrophobicContact CB-CB 3.85Å; A364-S373 PolarHBondContact N-O 3.26Å; A364-S373 PolarHBondContact O-N 3.34Å; A364-F376 HydrophobicContact CB-CE1 3.92Å; A364-F376 HydrophobicContact CB-CZ 4.19Å; A364-I404 HydrophobicContact CB-CB 4.25Å; A364-I404 HydrophobicContact CB-CD1 4.21Å; A364-R405 CarbonylContact C-O 3.52Å; A364-R405 WeakPolarHBondContact CA-O 3.35Å; A364-R405 WeakPolarHBondContact CB-O 3.18Å
365	Q	95.9	Very high	94.4	Very high	40 Å²	40	42 Å²	42	19%	0.187	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	134	167.2	-68.1	177.4	-22.7	0	0	110.8	W370 K371 V372 R405 Y407	Q365-W370 HydrophobicContact CB-CB 4.41Å; Q365-W370 HydrophobicContact CB-CE3 4.23Å; Q365-W370 WeakPolarHBondContact CB-O 3.49Å; Q365-W370 VanDerWaalsContact CD-O 3.26Å; Q365-W370 VanDerWaalsContact CG-O 3.27Å; Q365-W370 WeakPolarHBondContact CG-O 3.31Å; Q365-W370 PolarHBondContact NE2-O 3.09Å; Q365-K371 VanDerWaalsContact CA-O 3.31Å; Q365-K371 WeakPolarHBondContact CA-O 3.29Å; Q365-V372 HydrophobicContact CG-CG2 4.05Å; Q365-R405 HydrophobicContact CB-CB 4.18Å; Q365-R405 PolarHBondContact N-O 3.13Å; Q365-R405 PolarHBondContact O-N 3.22Å; Q365-R405 VanDerWaalsContact O-N 3.07Å; Q365-Y407 HydrophobicContact CG-CD1 4.39Å; Q365-Y407 HydrophobicContact CG-CD2 4.45Å; Q365-Y407 HydrophobicContact CG-CG 4.01Å
366	L	94.1	Very high	94.4	Very high	30 Å²	30	40.5 Å²	40.5	16%	0.157	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	143.6	-174.9	-55.9	176.8	0	0	0	112.4	W370 K371 F376 F380 I404	L366-W370 WeakPolarHBondContact O-CA 3.41Å; L366-W370 PolarHBondContact O-N 3.16Å; L366-K371 PolarHBondContact N-O 2.98Å; L366-F376 HydrophobicContact CD1-CB 3.44Å; L366-F376 VanDerWaalsContact CD1-CB 3.44Å; L366-F376 HydrophobicContact CD1-CD1 3.98Å; L366-F376 HydrophobicContact CD1-CD2 4.04Å; L366-F376 HydrophobicContact CD1-CG 3.56Å; L366-F376 HydrophobicContact CD2-CD1 4.03Å; L366-F376 HydrophobicContact CD2-CD2 3.76Å; L366-F376 HydrophobicContact CD2-CE1 4.05Å; L366-F376 HydrophobicContact CD2-CE2 3.79Å; L366-F376 HydrophobicContact CD2-CG 3.89Å; L366-F376 HydrophobicContact CD2-CZ 3.94Å; L366-F376 HydrophobicContact CG-CD1 4.38Å; L366-F376 HydrophobicContact CG-CG 4.27Å; L366-F380 HydrophobicContact CD2-CE1 4.41Å; L366-I404 HydrophobicContact CD2-CB 4.34Å; L366-I404 HydrophobicContact CD2-CG2 3.5Å
367	P	90.9	Very high	94.5	Very high	60 Å²	60	38.2 Å²	38.2	39%	0.39	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	157.8	170	29.9	-34.8	0	0	0	111.4	W370 H403	P367-W370 HydrophobicContact CB-CH2 4.18Å; P367-W370 HydrophobicContact CB-CZ2 4.08Å; P367-H403 WeakPolarHBondContact CD-O 3.31Å
368	P	91.3	Very high	94.5	Very high	122 Å²	122	38.3 Å²	38.3	79%	0.792	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.9	-16.8	-0.3	34	-34.9	0	0	0	114.2
369	D	92.1	Very high	94.4	Very high	88 Å²	88	39.9 Å²	39.9	47%	0.471	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-7.1	-171.2	67.6	-7.4	0	0	0	114.1	K371	D369-K371 HydrophobicContact CB-CG 4.46Å; D369-K371 PolarHBondContact O-N 2.83Å; D369-K371 PolarHBondContact OD1-N 2.87Å; D369-K371 VanDerWaalsContact OD2-CD 3.23Å; D369-K371 WeakPolarHBondContact OD2-CD 3.08Å; D369-K371 VanDerWaalsContact OD2-CE 3.23Å; D369-K371 WeakPolarHBondContact OD2-CE 3.48Å; D369-K371 WeakPolarHBondContact OD2-CG 3.37Å; D369-K371 IonicContact OD2-NZ 3.68Å; D369-K371 PolarHBondContact OD2-NZ 2.83Å
370	W	93.3	Very high	94.3	Very high	84 Å²	84	44.2 Å²	44.2	32%	0.318	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	31.8	177.8	-57.6	100.2	0	0	0	113	Q365 L366 P367 R405	Q365-W370 HydrophobicContact CB-CB 4.41Å; Q365-W370 HydrophobicContact CB-CE3 4.23Å; Q365-W370 WeakPolarHBondContact CB-O 3.49Å; Q365-W370 VanDerWaalsContact CD-O 3.26Å; Q365-W370 VanDerWaalsContact CG-O 3.27Å; Q365-W370 WeakPolarHBondContact CG-O 3.31Å; Q365-W370 PolarHBondContact NE2-O 3.09Å; L366-W370 WeakPolarHBondContact O-CA 3.41Å; L366-W370 PolarHBondContact O-N 3.16Å; P367-W370 HydrophobicContact CB-CH2 4.18Å; P367-W370 HydrophobicContact CB-CZ2 4.08Å; W370-R405 HydrophobicContact CE3-CB 4.34Å; W370-R405 HydrophobicContact CE3-CG 3.88Å; W370-R405 HydrophobicContact CH2-CG 4.29Å; W370-R405 HydrophobicContact CZ3-CB 4.22Å; W370-R405 HydrophobicContact CZ3-CG 3.55Å
371	K	92.8	Very high	94.1	Very high	138 Å²	138	46.9 Å²	46.9	60%	0.6	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75	144.7	171	-71.9	-174.6	-169.3	128.8	0	110.5	Q365 L366 D369 S373	Q365-K371 VanDerWaalsContact CA-O 3.31Å; Q365-K371 WeakPolarHBondContact CA-O 3.29Å; L366-K371 PolarHBondContact N-O 2.98Å; D369-K371 HydrophobicContact CB-CG 4.46Å; D369-K371 PolarHBondContact O-N 2.83Å; D369-K371 PolarHBondContact OD1-N 2.87Å; D369-K371 VanDerWaalsContact OD2-CD 3.23Å; D369-K371 WeakPolarHBondContact OD2-CD 3.08Å; D369-K371 VanDerWaalsContact OD2-CE 3.23Å; D369-K371 WeakPolarHBondContact OD2-CE 3.48Å; D369-K371 WeakPolarHBondContact OD2-CG 3.37Å; D369-K371 IonicContact OD2-NZ 3.68Å; D369-K371 PolarHBondContact OD2-NZ 2.83Å; K371-S373 PolarHBondContact O-N 2.98Å
372	V	91.9	Very high	93.7	Very high	53 Å²	53	52.3 Å²	52.3	32%	0.321	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	128.2	172.7	-172.4	0	0	0	0	108.5	Q365 Y407	Q365-V372 HydrophobicContact CG-CG2 4.05Å; V372-Y407 HydrophobicContact CB-CD1 4.18Å; V372-Y407 HydrophobicContact CG1-CD1 3.91Å; V372-Y407 HydrophobicContact CG2-CD1 3.2Å; V372-Y407 HydrophobicContact CG2-CE1 3.36Å; V372-Y407 HydrophobicContact CG2-CG 4.21Å
373	S	91.4	Very high	93.6	Very high	25 Å²	25	58.5 Å²	58.5	18%	0.175	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.2	169.9	-169.6	0	0	0	0	110	G363 A364 K371 E375	G363-S373 PolarHBondContact N-O 3.27Å; A364-S373 PolarHBondContact N-O 3.26Å; A364-S373 PolarHBondContact O-N 3.34Å; K371-S373 PolarHBondContact O-N 2.98Å; S373-E375 VanDerWaalsContact C-N 3.28Å; S373-E375 VanDerWaalsContact OG-C 3.23Å; S373-E375 PolarHBondContact OG-N 3.13Å; S373-E375 PolarHBondContact OG-O 3.43Å
374	H	89.1	Confident	93.6	Very high	54 Å²	54	61.8 Å²	61.8	25%	0.25	33%	0.334	C	S	.	.	S	Bend	trans	-91.5	4.1	170.6	-62.6	-69.2	0	0	0	112.2	F362 P414	F362-H374 WeakPolarHBondContact CB-O 3.26Å; H374-P414 HydrophobicContact CB-CB 4.45Å; H374-P414 HydrophobicContact CB-CG 4.06Å
375	E	93.7	Very high	93.5	Very high	58 Å²	58	62.9 Å²	62.9	27%	0.271	34%	0.341	S	S	.	.	S	Bend	trans	-168	124	172.6	-172.2	-172.3	87.7	0	0	110.7	L360 G361 S373 H418	L360-E375 HydrophobicContact CD1-CG 4.14Å; G361-E375 CarbonylContact O-C 3.49Å; G361-E375 WeakPolarHBondContact O-CA 3.44Å; S373-E375 VanDerWaalsContact C-N 3.28Å; S373-E375 VanDerWaalsContact OG-C 3.23Å; S373-E375 PolarHBondContact OG-N 3.13Å; S373-E375 PolarHBondContact OG-O 3.43Å; E375-H418 IonicContact OE1-CE1 2.68Å; E375-H418 PolarHBondContact OE1-CE1 3.4Å; E375-H418 VanDerWaalsContact OE1-CE1 3.32Å; E375-H418 IonicContact OE1-CG 2.73Å; E375-H418 IonicContact OE1-ND1 2.79Å; E375-H418 PolarHBondContact OE1-ND1 2.9Å; E375-H418 WeakPolarHBondContact OE2-CB 3.11Å; E375-H418 IonicContact OE2-CG 3.54Å; E375-H418 VanDerWaalsContact OE2-CG 3.31Å; E375-H418 IonicContact OE2-ND1 3.5Å; E375-H418 PolarHBondContact OE2-ND1 3.24Å
376	F	95.7	Very high	93.6	Very high	15 Å²	15	65 Å²	65	7%	0.066	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	150.3	173.9	64.8	-84.3	0	0	0	112.6	F313 L360 G361 A364 L366 I378 I404	F313-F376 HydrophobicContact CD2-CE1 4.15Å; F313-F376 AromaticContact CD2-CZ 3.67Å; F313-F376 HydrophobicContact CD2-CZ 3.67Å; F313-F376 AromaticContact CE2-CZ 3.93Å; F313-F376 HydrophobicContact CE2-CZ 3.93Å; F313-F376 HydrophobicContact CG-CZ 4.48Å; L360-F376 CarbonylContact C-O 3.54Å; L360-F376 VanDerWaalsContact CA-O 3.24Å; L360-F376 WeakPolarHBondContact CA-O 3.35Å; G361-F376 PolarHBondContact N-O 3.36Å; G361-F376 WeakPolarHBondContact O-CD1 3.27Å; G361-F376 WeakPolarHBondContact O-CE1 3.49Å; G361-F376 PolarHBondContact O-N 2.85Å; A364-F376 HydrophobicContact CB-CE1 3.92Å; A364-F376 HydrophobicContact CB-CZ 4.19Å; L366-F376 HydrophobicContact CD1-CB 3.44Å; L366-F376 VanDerWaalsContact CD1-CB 3.44Å; L366-F376 HydrophobicContact CD1-CD1 3.98Å; L366-F376 HydrophobicContact CD1-CD2 4.04Å; L366-F376 HydrophobicContact CD1-CG 3.56Å; L366-F376 HydrophobicContact CD2-CD1 4.03Å; L366-F376 HydrophobicContact CD2-CD2 3.76Å; L366-F376 HydrophobicContact CD2-CE1 4.05Å; L366-F376 HydrophobicContact CD2-CE2 3.79Å; L366-F376 HydrophobicContact CD2-CG 3.89Å; L366-F376 HydrophobicContact CD2-CZ 3.94Å; L366-F376 HydrophobicContact CG-CD1 4.38Å; L366-F376 HydrophobicContact CG-CG 4.27Å; F376-I378 HydrophobicContact CE2-CG2 4.17Å; F376-I378 PolarHBondContact O-N 2.92Å; F376-I404 HydrophobicContact CE2-CG2 4.22Å; F376-I404 HydrophobicContact CZ-CD1 4.09Å; F376-I404 HydrophobicContact CZ-CG2 4.29Å
377	A	97.3	Very high	93.8	Very high	11 Å²	11	64 Å²	64	9%	0.091	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	119.4	172.9	0	0	0	0	0	110.4	N379 F380 N381 P385	A377-N379 WeakPolarHBondContact CB-OD1 3.37Å; A377-N379 PolarHBondContact O-N 3.15Å; A377-F380 WeakPolarHBondContact O-CA 3.29Å; A377-F380 PolarHBondContact O-N 2.75Å; A377-N381 WeakPolarHBondContact CB-O 3.16Å; A377-P385 HydrophobicContact CB-CB 3.76Å
378	I	97.1	Very high	94	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.01	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-17.6	-176.4	70.5	176	0	0	0	112.7	I311 F313 A359 G361 F376 F380 A396 C400	I311-I378 HydrophobicContact CD1-CD1 3.97Å; F313-I378 HydrophobicContact CE2-CG2 3.89Å; F313-I378 HydrophobicContact CZ-CG2 4.35Å; A359-I378 HydrophobicContact CB-CD1 3.49Å; A359-I378 VanDerWaalsContact CB-CD1 3.49Å; A359-I378 HydrophobicContact CB-CG1 3.65Å; A359-I378 PolarHBondContact O-N 3.13Å; G361-I378 VanDerWaalsContact N-CG2 3.35Å; F376-I378 HydrophobicContact CE2-CG2 4.17Å; F376-I378 PolarHBondContact O-N 2.92Å; I378-F380 PolarHBondContact O-N 3.11Å; I378-A396 HydrophobicContact CD1-CB 4.02Å; I378-A396 HydrophobicContact CG1-CB 3.88Å; I378-C400 HydrophobicContact CB-CB 4.32Å; I378-C400 VanDerWaalsContact O-CB 3.26Å; I378-C400 WeakPolarHBondContact O-CB 2.86Å
379	N	96.2	Very high	94.3	Very high	50 Å²	50	63.5 Å²	63.5	27%	0.267	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	3.8	171.4	71	1.4	0	0	0	113.3	A377 N381 N384 A396	A377-N379 WeakPolarHBondContact CB-OD1 3.37Å; A377-N379 PolarHBondContact O-N 3.15Å; N379-N381 PolarHBondContact O-N 3.13Å; N379-N381 VanDerWaalsContact O-N 3.15Å; N379-N381 WeakPolarHBondContact OD1-CB 3.28Å; N379-N381 PolarHBondContact OD1-N 2.83Å; N379-N384 PolarHBondContact ND2-O 2.88Å; N379-A396 HydrophobicContact CB-CB 4.36Å
380	F	94.8	Very high	94.4	Very high	92 Å²	92	59.3 Å²	59.3	40%	0.404	30%	0.299	S	S	.	.	S	Bend	trans	56.9	20.2	-175.4	-58.5	-65.7	0	0	0	115.5	L366 A377 I378 P382 C400 H403 I404	L366-F380 HydrophobicContact CD2-CE1 4.41Å; A377-F380 WeakPolarHBondContact O-CA 3.29Å; A377-F380 PolarHBondContact O-N 2.75Å; I378-F380 PolarHBondContact O-N 3.11Å; F380-P382 WeakPolarHBondContact O-CD 3.15Å; F380-C400 HydrophobicContact CE2-CB 3.95Å; F380-C400 HydrophobicContact CZ-CB 3.95Å; F380-H403 HydrophobicContact CE2-CB 3.88Å; F380-H403 HydrophobicContact CZ-CB 3.67Å; F380-I404 HydrophobicContact CE1-CG2 3.93Å; F380-I404 HydrophobicContact CZ-CG2 3.83Å
381	N	94.7	Very high	94.5	Very high	62 Å²	62	59.8 Å²	59.8	33%	0.332	31%	0.305	S	S	.	.			trans	-109.4	92.5	171.4	-171	-18.8	0	0	0	110.1	A377 N379 T383 N384	A377-N381 WeakPolarHBondContact CB-O 3.16Å; N379-N381 PolarHBondContact O-N 3.13Å; N379-N381 VanDerWaalsContact O-N 3.15Å; N379-N381 WeakPolarHBondContact OD1-CB 3.28Å; N379-N381 PolarHBondContact OD1-N 2.83Å; N381-T383 PolarHBondContact O-N 2.82Å; N381-T383 VanDerWaalsContact O-N 3.15Å; N381-T383 PolarHBondContact OD1-N 2.86Å; N381-T383 PolarHBondContact OD1-OG1 2.89Å; N381-N384 CarbonylContact O-C 3.58Å; N381-N384 PolarHBondContact O-N 2.72Å; N381-N384 PolarHBondContact OD1-N 2.79Å
382	P	89.1	Confident	94.7	Very high	114 Å²	114	53.9 Å²	53.9	74%	0.74	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	-19.8	-176.2	27.4	-35.3	0	0	0	113.2	F380	F380-P382 WeakPolarHBondContact O-CD 3.15Å
383	T	93.6	Very high	95	Very high	131 Å²	131	51.3 Å²	51.3	80%	0.804	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-17.3	176.4	57.5	0	0	0	0	113.5	N381	N381-T383 PolarHBondContact O-N 2.82Å; N381-T383 VanDerWaalsContact O-N 3.15Å; N381-T383 PolarHBondContact OD1-N 2.86Å; N381-T383 PolarHBondContact OD1-OG1 2.89Å
384	N	94.3	Very high	95.2	Very high	69 Å²	69	50.8 Å²	50.8	37%	0.369	27%	0.265	S	S	.	.			trans	-148.4	84.4	-178.9	-178.4	7.9	0	0	0	109.7	N379 N381 F386	N379-N384 PolarHBondContact ND2-O 2.88Å; N381-N384 CarbonylContact O-C 3.58Å; N381-N384 PolarHBondContact O-N 2.72Å; N381-N384 PolarHBondContact OD1-N 2.79Å; N384-F386 PolarHBondContact O-N 2.96Å; N384-F386 WeakPolarHBondContact OD1-CB 3.18Å; N384-F386 WeakPolarHBondContact OD1-CD2 3.48Å; N384-F386 PolarHBondContact OD1-N 2.91Å
385	P	95.4	Very high	95.5	Very high	22 Å²	22	54.8 Å²	54.8	14%	0.143	28%	0.284	C	S	.	.			trans	-75.2	3.3	-179.5	32.4	-37.2	0	0	0	113.7	P358 A359 L360 A377	P358-P385 WeakPolarHBondContact CA-O 3.37Å; P358-P385 HydrophobicContact CB-CB 4.49Å; P358-P385 HydrophobicContact CB-CG 4.25Å; A359-P385 PolarHBondContact N-O 2.76Å; A359-P385 VanDerWaalsContact N-O 3.09Å; L360-P385 HydrophobicContact CD2-CB 3.95Å; A377-P385 HydrophobicContact CB-CB 3.76Å
386	F	97.1	Very high	95.7	Very high	86 Å²	86	52.7 Å²	52.7	38%	0.377	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	134.3	-170.1	-63.3	-100.2	0	0	0	112.2	M356 F357 P358 N384	M356-F386 HydrophobicContact CB-CB 4.18Å; M356-F386 HydrophobicContact CB-CD1 3.82Å; M356-F386 HydrophobicContact CB-CG 4.38Å; M356-F386 HydrophobicContact CE-CB 3.66Å; M356-F386 VanDerWaalsContact O-CD1 3.32Å; M356-F386 WeakPolarHBondContact O-CD1 3.27Å; F357-F386 CarbonylContact O-C 3.56Å; F357-F386 WeakPolarHBondContact O-CA 3.41Å; P358-F386 HydrophobicContact CG-CD1 3.75Å; P358-F386 HydrophobicContact CG-CE1 3.47Å; P358-F386 VanDerWaalsContact CG-CE1 3.47Å; P358-F386 HydrophobicContact CG-CG 4.4Å; P358-F386 HydrophobicContact CG-CZ 3.89Å; N384-F386 PolarHBondContact O-N 2.96Å; N384-F386 WeakPolarHBondContact OD1-CB 3.18Å; N384-F386 WeakPolarHBondContact OD1-CD2 3.48Å; N384-F386 PolarHBondContact OD1-N 2.91Å
387	C	97.4	Very high	95.7	Very high	9 Å²	9	52 Å²	52	6%	0.061	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.6	172.2	-70.2	0	0	0	0	109.5	F357 G389 I393	F357-C387 PolarHBondContact N-O 2.93Å; F357-C387 PolarHBondContact O-N 3.37Å; C387-G389 PolarHBondContact O-N 3.03Å; C387-I393 HydrophobicContact CB-CG1 3.8Å
388	Y	96.7	Very high	95.6	Very high	168 Å²	168	53.5 Å²	53.5	66%	0.659	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.1	113.9	175.6	-178.1	-103	0	0	0	110.5	M356 G392	M356-Y388 HydrophobicContact SD-CD2 3.79Å; M356-Y388 HydrophobicContact SD-CG 4.45Å; Y388-G392 VanDerWaalsContact O-CA 3.32Å; Y388-G392 WeakPolarHBondContact O-CA 3.49Å; Y388-G392 PolarHBondContact O-N 3.29Å
389	G	96.4	Very high	95.5	Very high	3 Å²	3	56.2 Å²	56.2	3%	0.031	31%	0.306	C	S	.	.	H	α-helix	trans	67.8	174	-178.3	0	0	0	0	0	113.7	K355 C387 E391 G392 I393	K355-G389 PolarHBondContact O-N 3.19Å; C387-G389 PolarHBondContact O-N 3.03Å; G389-E391 VanDerWaalsContact C-N 3.28Å; G389-E391 PolarHBondContact O-N 3.1Å; G389-G392 PolarHBondContact O-N 3.2Å; G389-I393 PolarHBondContact O-N 2.92Å
390	V	95.4	Very high	95.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-69.2	-34.2	178	-172.6	0	0	0	0	110.3	I341 L342 G345 Q349 F357 G392 I393 A394	I341-V390 HydrophobicContact CG2-CG1 4.04Å; L342-V390 HydrophobicContact CD2-CG1 4.13Å; G345-V390 WeakPolarHBondContact O-CG2 3.16Å; Q349-V390 HydrophobicContact CB-CG2 3.9Å; Q349-V390 HydrophobicContact CG-CG2 4.05Å; F357-V390 HydrophobicContact CE2-CG2 4.41Å; V390-G392 VanDerWaalsContact C-N 3.26Å; V390-G392 PolarHBondContact O-N 2.94Å; V390-I393 WeakPolarHBondContact O-CB 3.32Å; V390-I393 PolarHBondContact O-N 3.5Å; V390-I393 VanDerWaalsContact O-N 3.14Å; V390-A394 PolarHBondContact O-N 3.02Å
391	E	95.3	Very high	95.4	Very high	93 Å²	93	49.9 Å²	49.9	44%	0.435	28%	0.276	S	S	.	.	H	α-helix	trans	-59.9	-38.2	172.8	-66.4	74	-164.6	0	0	111.2	G389 A394 Q395	G389-E391 VanDerWaalsContact C-N 3.28Å; G389-E391 PolarHBondContact O-N 3.1Å; E391-A394 PolarHBondContact O-N 3.37Å; E391-Q395 WeakPolarHBondContact O-CB 3.28Å; E391-Q395 VanDerWaalsContact O-CG 3.24Å; E391-Q395 WeakPolarHBondContact O-CG 3.28Å; E391-Q395 PolarHBondContact O-N 2.95Å
392	G	97.1	Very high	95.3	Very high	14 Å²	14	50.5 Å²	50.5	14%	0.144	28%	0.283	C	S	.	.	H	α-helix	trans	-63.8	-40.1	174.2	0	0	0	0	0	112.6	Y388 G389 V390 Q395 A396	Y388-G392 VanDerWaalsContact O-CA 3.32Å; Y388-G392 WeakPolarHBondContact O-CA 3.49Å; Y388-G392 PolarHBondContact O-N 3.29Å; G389-G392 PolarHBondContact O-N 3.2Å; V390-G392 VanDerWaalsContact C-N 3.26Å; V390-G392 PolarHBondContact O-N 2.94Å; G392-Q395 PolarHBondContact O-N 3.32Å; G392-A396 WeakPolarHBondContact O-CB 3.48Å; G392-A396 PolarHBondContact O-N 3.26Å
393	I	97.6	Very high	95.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.8	-48	174.5	-60.2	166.6	0	0	0	110	F307 V309 I341 F357 A359 C387 G389 V390 Q395 A396 Y397	F307-I393 HydrophobicContact CE1-CD1 4.41Å; V309-I393 HydrophobicContact CG2-CD1 3.81Å; V309-I393 HydrophobicContact CG2-CG2 4.5Å; I341-I393 HydrophobicContact CD1-CG2 4.42Å; I341-I393 HydrophobicContact CG2-CB 4.31Å; I341-I393 HydrophobicContact CG2-CG2 3.87Å; F357-I393 HydrophobicContact CB-CD1 3.61Å; F357-I393 HydrophobicContact CB-CG1 4.23Å; F357-I393 HydrophobicContact CD2-CD1 3.99Å; F357-I393 HydrophobicContact CG-CD1 4.14Å; A359-I393 HydrophobicContact CB-CG1 4.24Å; A359-I393 HydrophobicContact CB-CG2 4.03Å; C387-I393 HydrophobicContact CB-CG1 3.8Å; G389-I393 PolarHBondContact O-N 2.92Å; V390-I393 WeakPolarHBondContact O-CB 3.32Å; V390-I393 PolarHBondContact O-N 3.5Å; V390-I393 VanDerWaalsContact O-N 3.14Å; I393-Q395 VanDerWaalsContact C-N 3.32Å; I393-Q395 PolarHBondContact O-N 3.24Å; I393-A396 PolarHBondContact O-N 3.46Å; I393-Y397 WeakPolarHBondContact O-CB 3.39Å; I393-Y397 PolarHBondContact O-N 2.95Å
394	A	95.5	Very high	95.6	Very high	14 Å²	14	44.5 Å²	44.5	12%	0.116	24%	0.237	C	C	.	.	H	α-helix	trans	-59.5	-40.7	179.2	0	0	0	0	0	112.9	L338 V390 E391 S398	L338-A394 HydrophobicContact CD1-CB 3.53Å; V390-A394 PolarHBondContact O-N 3.02Å; E391-A394 PolarHBondContact O-N 3.37Å; A394-S398 PolarHBondContact O-N 3.25Å; A394-S398 VanDerWaalsContact O-N 3.08Å; A394-S398 PolarHBondContact O-OG 3.38Å
395	Q	95.5	Very high	95.6	Very high	138 Å²	138	47.4 Å²	47.4	65%	0.645	24%	0.242	S	C	*	.	H	α-helix	trans	-65.4	-47.5	175.1	-72.8	170.7	17.1	0	0	111.5	E391 G392 I393 S398 A399	E391-Q395 WeakPolarHBondContact O-CB 3.28Å; E391-Q395 VanDerWaalsContact O-CG 3.24Å; E391-Q395 WeakPolarHBondContact O-CG 3.28Å; E391-Q395 PolarHBondContact O-N 2.95Å; G392-Q395 PolarHBondContact O-N 3.32Å; I393-Q395 VanDerWaalsContact C-N 3.32Å; I393-Q395 PolarHBondContact O-N 3.24Å; Q395-S398 PolarHBondContact O-N 3.42Å; Q395-A399 WeakPolarHBondContact O-CB 3.41Å; Q395-A399 PolarHBondContact O-N 2.71Å
396	A	97.1	Very high	95.6	Very high	13 Å²	13	47.8 Å²	47.8	11%	0.107	24%	0.242	C	C	.	.	H	α-helix	trans	-64.2	-41.7	179.4	0	0	0	0	0	111.9	I378 N379 G392 I393 S398 A399 C400	I378-A396 HydrophobicContact CD1-CB 4.02Å; I378-A396 HydrophobicContact CG1-CB 3.88Å; N379-A396 HydrophobicContact CB-CB 4.36Å; G392-A396 WeakPolarHBondContact O-CB 3.48Å; G392-A396 PolarHBondContact O-N 3.26Å; I393-A396 PolarHBondContact O-N 3.46Å; A396-S398 PolarHBondContact O-N 2.93Å; A396-A399 PolarHBondContact O-N 2.86Å; A396-C400 WeakPolarHBondContact O-CB 3.47Å; A396-C400 PolarHBondContact O-N 3.05Å
397	Y	96.9	Very high	95.4	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.1	-51.6	172.2	167.5	-109.3	0	0	0	111.3	I311 F313 H327 N335 Y337 L338 I341 I393 A399 C400 L401	I311-Y397 HydrophobicContact CD1-CD2 3.7Å; I311-Y397 HydrophobicContact CD1-CE2 4.48Å; I311-Y397 HydrophobicContact CD1-CG 4.27Å; I311-Y397 HydrophobicContact CG2-CD2 4.21Å; I311-Y397 HydrophobicContact CG2-CE2 4.05Å; F313-Y397 HydrophobicContact CE1-CD2 4.07Å; F313-Y397 AromaticContact CE1-CE2 3.88Å; F313-Y397 HydrophobicContact CE1-CE2 3.88Å; F313-Y397 AromaticContact CZ-CD2 3.94Å; F313-Y397 HydrophobicContact CZ-CD2 3.94Å; F313-Y397 HydrophobicContact CZ-CE2 4.19Å; H327-Y397 AromaticContact CE1-CE2 3.96Å; H327-Y397 AromaticContact ND1-CE2 3.48Å; H327-Y397 WeakPolarHBondContact ND1-CE2 3.21Å; H327-Y397 AromaticContact ND1-CZ 3.58Å; H327-Y397 PolarHBondContact ND1-OH 3.05Å; N335-Y397 PolarHBondContact ND2-OH 2.91Å; N335-Y397 PolarHBondContact OD1-OH 3.24Å; Y337-Y397 WeakPolarHBondContact CB-OH 3.46Å; L338-Y397 HydrophobicContact CB-CE1 4.19Å; I341-Y397 HydrophobicContact CD1-CG 4.35Å; I393-Y397 WeakPolarHBondContact O-CB 3.39Å; I393-Y397 PolarHBondContact O-N 2.95Å; Y397-A399 VanDerWaalsContact C-N 3.31Å; Y397-A399 PolarHBondContact O-N 2.95Å; Y397-C400 PolarHBondContact O-N 3.48Å; Y397-C400 PolarHBondContact O-SG 3.38Å; Y397-L401 HydrophobicContact CE1-CD1 4.34Å; Y397-L401 HydrophobicContact CE2-CD1 4.37Å; Y397-L401 HydrophobicContact CE2-CD2 4.33Å; Y397-L401 HydrophobicContact CE2-CG 4.47Å
398	S	93.9	Very high	95.1	Very high	44 Å²	44	49.7 Å²	49.7	31%	0.308	25%	0.251	S	S	.	.	H	α-helix	trans	-64.1	-38	-179.5	-55.9	0	0	0	0	112.6	A394 Q395 A396	A394-S398 PolarHBondContact O-N 3.25Å; A394-S398 VanDerWaalsContact O-N 3.08Å; A394-S398 PolarHBondContact O-OG 3.38Å; Q395-S398 PolarHBondContact O-N 3.42Å; A396-S398 PolarHBondContact O-N 2.93Å
399	A	94.6	Very high	94.9	Very high	58 Å²	58	44.5 Å²	44.5	48%	0.479	24%	0.238	S	C	.	.	H	α-helix	trans	-72.5	-28.4	179.8	0	0	0	0	0	113.2	Q395 A396 Y397 P402 H403	Q395-A399 WeakPolarHBondContact O-CB 3.41Å; Q395-A399 PolarHBondContact O-N 2.71Å; A396-A399 PolarHBondContact O-N 2.86Å; Y397-A399 VanDerWaalsContact C-N 3.31Å; Y397-A399 PolarHBondContact O-N 2.95Å; A399-P402 WeakPolarHBondContact O-CD 3.48Å; A399-H403 PolarHBondContact O-CE1 2.9Å; A399-H403 VanDerWaalsContact O-CE1 3.3Å; A399-H403 PolarHBondContact O-ND1 3.4Å
400	C	95.3	Very high	94.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-79.1	-33	-175.5	80.7	0	0	0	0	113.6	F313 I378 F380 A396 Y397 P402 H403	F313-C400 VanDerWaalsContact CZ-SG 3.5Å; I378-C400 HydrophobicContact CB-CB 4.32Å; I378-C400 VanDerWaalsContact O-CB 3.26Å; I378-C400 WeakPolarHBondContact O-CB 2.86Å; F380-C400 HydrophobicContact CE2-CB 3.95Å; F380-C400 HydrophobicContact CZ-CB 3.95Å; A396-C400 WeakPolarHBondContact O-CB 3.47Å; A396-C400 PolarHBondContact O-N 3.05Å; Y397-C400 PolarHBondContact O-N 3.48Å; Y397-C400 PolarHBondContact O-SG 3.38Å; C400-P402 VanDerWaalsContact C-CD 3.47Å; C400-H403 PolarHBondContact O-N 2.92Å
401	L	94.1	Very high	94.7	Very high	9 Å²	9	46.1 Å²	46.1	5%	0.047	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-51	-43.5	-173.6	-72.9	171.1	0	0	0	115	F313 P320 H327 I329 Y397 H403 F406	F313-L401 HydrophobicContact CD1-CD2 3.97Å; F313-L401 HydrophobicContact CE1-CD2 3.58Å; F313-L401 HydrophobicContact CE1-CG 4.44Å; P320-L401 HydrophobicContact CB-CB 4.48Å; P320-L401 HydrophobicContact CB-CD2 4.17Å; H327-L401 HydrophobicContact CB-CD1 4.42Å; H327-L401 HydrophobicContact CB-CD2 3.83Å; I329-L401 HydrophobicContact CD1-CD1 3.61Å; I329-L401 HydrophobicContact CG1-CD1 3.88Å; Y397-L401 HydrophobicContact CE1-CD1 4.34Å; Y397-L401 HydrophobicContact CE2-CD1 4.37Å; Y397-L401 HydrophobicContact CE2-CD2 4.33Å; Y397-L401 HydrophobicContact CE2-CG 4.47Å; L401-H403 PolarHBondContact O-N 3.38Å; L401-F406 HydrophobicContact CD2-CE1 3.98Å; L401-F406 HydrophobicContact CD2-CZ 3.69Å
402	P	92.9	Very high	94.7	Very high	75 Å²	75	41.7 Å²	41.7	49%	0.487	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-71.5	-13.4	-179	-18.5	33.9	0	0	0	114.4	A399 C400	A399-P402 WeakPolarHBondContact O-CD 3.48Å; C400-P402 VanDerWaalsContact C-CD 3.47Å
403	H	93.9	Very high	94.7	Very high	106 Å²	106	41.6 Å²	41.6	49%	0.491	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-106.2	-6.6	-168.6	-58	104.4	0	0	0	113.7	P367 F380 A399 C400 L401	P367-H403 WeakPolarHBondContact CD-O 3.31Å; F380-H403 HydrophobicContact CE2-CB 3.88Å; F380-H403 HydrophobicContact CZ-CB 3.67Å; A399-H403 PolarHBondContact O-CE1 2.9Å; A399-H403 VanDerWaalsContact O-CE1 3.3Å; A399-H403 PolarHBondContact O-ND1 3.4Å; C400-H403 PolarHBondContact O-N 2.92Å; L401-H403 PolarHBondContact O-N 3.38Å
404	I	94.9	Very high	94.7	Very high	14 Å²	14	43.8 Å²	43.8	7%	0.072	24%	0.237	C	C	.	.			trans	-114.6	159.5	-180	63.1	179.1	0	0	0	111.1	F313 A364 L366 F376 F380 F406	F313-I404 HydrophobicContact CB-CD1 3.95Å; F313-I404 HydrophobicContact CD1-CD1 3.48Å; F313-I404 VanDerWaalsContact CD1-CD1 3.48Å; F313-I404 HydrophobicContact CD2-CD1 4.04Å; F313-I404 HydrophobicContact CE1-CD1 3.86Å; F313-I404 HydrophobicContact CE2-CD1 4.37Å; F313-I404 HydrophobicContact CG-CD1 3.56Å; F313-I404 HydrophobicContact CZ-CD1 4.27Å; A364-I404 HydrophobicContact CB-CB 4.25Å; A364-I404 HydrophobicContact CB-CD1 4.21Å; L366-I404 HydrophobicContact CD2-CB 4.34Å; L366-I404 HydrophobicContact CD2-CG2 3.5Å; F376-I404 HydrophobicContact CE2-CG2 4.22Å; F376-I404 HydrophobicContact CZ-CD1 4.09Å; F376-I404 HydrophobicContact CZ-CG2 4.29Å; F380-I404 HydrophobicContact CE1-CG2 3.93Å; F380-I404 HydrophobicContact CZ-CG2 3.83Å; I404-F406 HydrophobicContact CD1-CD1 4.27Å; I404-F406 HydrophobicContact CD1-CE1 3.9Å; I404-F406 HydrophobicContact CG1-CD1 4.25Å; I404-F406 HydrophobicContact CG1-CE1 4.05Å
405	R	95.1	Very high	94.7	Very high	130 Å²	130	43.1 Å²	43.1	49%	0.491	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.8	169.8	-70.5	173.7	-170.6	176.9	2.1	109.2	A364 Q365 W370	A364-R405 CarbonylContact C-O 3.52Å; A364-R405 WeakPolarHBondContact CA-O 3.35Å; A364-R405 WeakPolarHBondContact CB-O 3.18Å; Q365-R405 HydrophobicContact CB-CB 4.18Å; Q365-R405 PolarHBondContact N-O 3.13Å; Q365-R405 PolarHBondContact O-N 3.22Å; Q365-R405 VanDerWaalsContact O-N 3.07Å; W370-R405 HydrophobicContact CE3-CB 4.34Å; W370-R405 HydrophobicContact CE3-CG 3.88Å; W370-R405 HydrophobicContact CH2-CG 4.29Å; W370-R405 HydrophobicContact CZ3-CB 4.22Å; W370-R405 HydrophobicContact CZ3-CG 3.55Å
406	F	94.8	Very high	94.8	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.127	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.8	178.1	-64.7	0.9	0	0	0	110.5	F313 A315 N317 G318 P320 H327 L401 I404	F313-F406 HydrophobicContact CB-CD1 3.99Å; F313-F406 HydrophobicContact CB-CE1 4.05Å; F313-F406 HydrophobicContact CD1-CD1 4.44Å; F313-F406 AromaticContact CD1-CE1 3.65Å; F313-F406 HydrophobicContact CD1-CE1 3.65Å; F313-F406 HydrophobicContact CD1-CZ 4.05Å; F313-F406 HydrophobicContact CG-CE1 4.31Å; F313-F406 WeakPolarHBondContact O-CA 3.28Å; F313-F406 WeakPolarHBondContact O-CB 3.43Å; F313-F406 WeakPolarHBondContact O-CD1 3.38Å; F313-F406 VanDerWaalsContact O-CG 3.26Å; F313-F406 WeakPolarHBondContact O-CG 3.02Å; A315-F406 HydrophobicContact CB-CB 4.41Å; N317-F406 HydrophobicContact CB-CD2 4.2Å; N317-F406 HydrophobicContact CB-CE2 4.1Å; G318-F406 WeakPolarHBondContact O-CD2 3.22Å; G318-F406 WeakPolarHBondContact O-CE2 3.29Å; P320-F406 HydrophobicContact CB-CE2 4.22Å; P320-F406 HydrophobicContact CB-CZ 3.88Å; P320-F406 HydrophobicContact CG-CE1 4.16Å; P320-F406 HydrophobicContact CG-CE2 4.08Å; P320-F406 HydrophobicContact CG-CZ 3.71Å; H327-F406 HydrophobicContact CB-CE2 4.02Å; H327-F406 HydrophobicContact CB-CZ 3.82Å; H327-F406 AromaticContact CD2-CE2 3.26Å; H327-F406 WeakPolarHBondContact CD2-CE2 3.22Å; H327-F406 AromaticContact CD2-CZ 3.33Å; H327-F406 WeakPolarHBondContact CD2-CZ 3.41Å; H327-F406 AromaticContact CG-CE2 3.9Å; H327-F406 AromaticContact CG-CZ 3.66Å; L401-F406 HydrophobicContact CD2-CE1 3.98Å; L401-F406 HydrophobicContact CD2-CZ 3.69Å; I404-F406 HydrophobicContact CD1-CD1 4.27Å; I404-F406 HydrophobicContact CD1-CE1 3.9Å; I404-F406 HydrophobicContact CG1-CD1 4.25Å; I404-F406 HydrophobicContact CG1-CE1 4.05Å
407	Y	93.7	Very high	94.9	Very high	119 Å²	119	39 Å²	39	47%	0.467	22%	0.218	S	C	.	.	B	Isolated β-bridge	trans	-147.7	-143.1	-174.1	-162.2	-107.4	0	0	0	110.7	T314 A315 G363 Q365 V372	T314-Y407 CarbonylContact C-O 3.57Å; T314-Y407 WeakPolarHBondContact CA-O 3.29Å; T314-Y407 VanDerWaalsContact CB-O 3.24Å; T314-Y407 WeakPolarHBondContact CB-O 3.35Å; A315-Y407 PolarHBondContact N-O 3.02Å; G363-Y407 CarbonylContact O-C 3.55Å; G363-Y407 WeakPolarHBondContact O-CA 3.37Å; G363-Y407 PolarHBondContact O-N 3.32Å; Q365-Y407 HydrophobicContact CG-CD1 4.39Å; Q365-Y407 HydrophobicContact CG-CD2 4.45Å; Q365-Y407 HydrophobicContact CG-CG 4.01Å; V372-Y407 HydrophobicContact CB-CD1 4.18Å; V372-Y407 HydrophobicContact CG1-CD1 3.91Å; V372-Y407 HydrophobicContact CG2-CD1 3.2Å; V372-Y407 HydrophobicContact CG2-CE1 3.36Å; V372-Y407 HydrophobicContact CG2-CG 4.21Å
408	G	90.1	Very high	94.8	Very high	16 Å²	16	41 Å²	41	17%	0.165	23%	0.227	C	C	.	.			trans	-172.9	-174.8	174.7	0	0	0	0	0	111.2
409	P	93.1	Very high	95	Very high	60 Å²	60	39 Å²	39	39%	0.39	21%	0.213	S	C	.	.			cis	-70.9	171.8	-3.8	27.9	-37.9	0	0	0	115.1	N411 S447	P409-N411 WeakPolarHBondContact CG-OD1 3.22Å; P409-N411 PolarHBondContact O-N 3.16Å; P409-S447 VanDerWaalsContact CB-CB 3.47Å; P409-S447 WeakPolarHBondContact CB-OG 3.21Å
410	T	92.6	Very high	95.2	Very high	10 Å²	10	36.9 Å²	36.9	6%	0.061	20%	0.195	C	C	.	.			trans	-83.4	99.2	171.6	-46.7	0	0	0	0	109.2	D312 T314 F362 F412 V445 S447	D312-T410 WeakPolarHBondContact OD2-CG2 3.09Å; T314-T410 WeakPolarHBondContact CG2-OG1 3.36Å; F362-T410 HydrophobicContact CE2-CG2 4.02Å; T410-F412 HydrophobicContact CG2-CD1 4.49Å; T410-F412 HydrophobicContact CG2-CE1 3.81Å; T410-V445 WeakPolarHBondContact CB-O 3.4Å; T410-V445 PolarHBondContact OG1-O 2.79Å; T410-S447 PolarHBondContact N-OG 2.72Å; T410-S447 WeakPolarHBondContact O-CB 3.39Å; T410-S447 PolarHBondContact O-N 3.42Å
411	N	94.4	Very high	95.2	Very high	27 Å²	27	42.7 Å²	42.7	14%	0.144	22%	0.217	C	C	.	.			trans	-118.2	122.6	-174.3	-73.1	0.2	0	0	0	111.5	P409 P414 S447 D448	P409-N411 WeakPolarHBondContact CG-OD1 3.22Å; P409-N411 PolarHBondContact O-N 3.16Å; N411-P414 HydrophobicContact CB-CG 4.46Å; N411-S447 WeakPolarHBondContact OD1-CB 3.44Å; N411-D448 VanDerWaalsContact CA-CG 3.44Å; N411-D448 WeakPolarHBondContact CA-OD1 3.13Å; N411-D448 WeakPolarHBondContact CA-OD2 3.49Å; N411-D448 HydrophobicContact CB-CB 4.33Å; N411-D448 VanDerWaalsContact CB-OD2 3.26Å; N411-D448 WeakPolarHBondContact CB-OD2 3.49Å
412	F	96.1	Very high	95.2	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.			trans	-98.2	-26.3	-179.6	-69	0.3	0	0	0	113.3	F362 T410 P414 I415 I416 I440 T442 I446 D448 T452 I468 M479	F362-F412 AromaticContact CE2-CD1 3.89Å; F362-F412 HydrophobicContact CE2-CD1 3.89Å; F362-F412 AromaticContact CE2-CE1 3.69Å; F362-F412 HydrophobicContact CE2-CE1 3.69Å; F362-F412 AromaticContact CZ-CD1 3.9Å; F362-F412 HydrophobicContact CZ-CD1 3.9Å; F362-F412 AromaticContact CZ-CE1 3.6Å; F362-F412 HydrophobicContact CZ-CE1 3.6Å; T410-F412 HydrophobicContact CG2-CD1 4.49Å; T410-F412 HydrophobicContact CG2-CE1 3.81Å; F412-P414 VanDerWaalsContact C-N 3.31Å; F412-I415 VanDerWaalsContact O-CG2 3.27Å; F412-I415 WeakPolarHBondContact O-CG2 3.35Å; F412-I415 PolarHBondContact O-N 2.96Å; F412-I416 HydrophobicContact CB-CD1 3.95Å; F412-I416 WeakPolarHBondContact O-CG1 3.49Å; F412-I416 PolarHBondContact O-N 3.4Å; F412-I416 VanDerWaalsContact O-N 3.11Å; F412-I440 HydrophobicContact CB-CD1 4.44Å; F412-I440 HydrophobicContact CD1-CG2 4.23Å; F412-I440 HydrophobicContact CD2-CD1 4.15Å; F412-I440 HydrophobicContact CD2-CG2 4.44Å; F412-I440 HydrophobicContact CE1-CG2 3.87Å; F412-I440 HydrophobicContact CE2-CG2 4.07Å; F412-I440 HydrophobicContact CG-CD1 4.22Å; F412-I440 HydrophobicContact CZ-CG2 3.8Å; F412-T442 HydrophobicContact CE1-CG2 4.36Å; F412-T442 HydrophobicContact CE2-CG2 4.35Å; F412-T442 HydrophobicContact CZ-CG2 3.52Å; F412-I446 HydrophobicContact CD2-CD1 3.77Å; F412-I446 HydrophobicContact CD2-CG1 3.87Å; F412-I446 HydrophobicContact CE1-CG1 4.47Å; F412-I446 HydrophobicContact CE2-CD1 3.59Å; F412-I446 HydrophobicContact CE2-CG1 3.58Å; F412-I446 HydrophobicContact CG-CG1 4.42Å; F412-I446 HydrophobicContact CZ-CD1 4.37Å; F412-I446 HydrophobicContact CZ-CG1 3.88Å; F412-D448 PolarHBondContact N-OD1 3.32Å; F412-D448 PolarHBondContact N-OD2 2.87Å; F412-D448 VanDerWaalsContact N-OD2 3.14Å; F412-T452 HydrophobicContact CB-CG2 4.07Å; F412-T452 HydrophobicContact CD2-CG2 4.49Å; F412-I468 HydrophobicContact CD2-CD1 4.5Å; F412-I468 HydrophobicContact CE2-CD1 4.26Å; F412-I468 HydrophobicContact CE2-CG2 4.36Å; F412-M479 HydrophobicContact CE2-CE 4.4Å; F412-M479 HydrophobicContact CZ-CE 4.23Å
413	A	96.7	Very high	95.4	Very high	11 Å²	11	42.1 Å²	42.1	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-55.4	-38.9	-175.8	0	0	0	0	0	113.9	S417 D448 E451 T452 A455	A413-S417 VanDerWaalsContact O-CB 3.25Å; A413-S417 WeakPolarHBondContact O-CB 3.44Å; A413-S417 PolarHBondContact O-N 2.98Å; A413-S417 PolarHBondContact O-OG 3.26Å; A413-D448 WeakPolarHBondContact CB-OD2 3.47Å; A413-D448 PolarHBondContact N-OD2 2.67Å; A413-E451 HydrophobicContact CB-CB 3.64Å; A413-T452 PolarHBondContact N-OG1 2.89Å; A413-A455 HydrophobicContact CB-CB 4.39Å
414	P	96.7	Very high	95.5	Very high	46 Å²	46	38.9 Å²	38.9	30%	0.299	20%	0.198	S	C	.	.	H	α-helix	trans	-60.8	-50.4	178.8	-26.2	37.1	0	0	0	113.4	H374 N411 F412 S417 H418	H374-P414 HydrophobicContact CB-CB 4.45Å; H374-P414 HydrophobicContact CB-CG 4.06Å; N411-P414 HydrophobicContact CB-CG 4.46Å; F412-P414 VanDerWaalsContact C-N 3.31Å; P414-S417 PolarHBondContact O-N 2.98Å; P414-H418 PolarHBondContact O-N 3.26Å
415	I	96.8	Very high	95.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.223	C	C	.	.	H	α-helix	trans	-71.1	-36.4	-176.6	-169.2	168.2	0	0	0	112	L360 F362 F412 H418 V419 L438 I440	L360-I415 HydrophobicContact CB-CD1 3.84Å; L360-I415 HydrophobicContact CD1-CD1 4.1Å; L360-I415 HydrophobicContact CD1-CG1 4.09Å; F362-I415 HydrophobicContact CD1-CD1 4.46Å; F412-I415 VanDerWaalsContact O-CG2 3.27Å; F412-I415 WeakPolarHBondContact O-CG2 3.35Å; F412-I415 PolarHBondContact O-N 2.96Å; I415-H418 PolarHBondContact O-N 3.14Å; I415-V419 PolarHBondContact O-N 3.21Å; I415-V419 VanDerWaalsContact O-N 3.16Å; I415-L438 HydrophobicContact CD1-CD1 4.11Å; I415-L438 HydrophobicContact CG1-CD1 4.13Å; I415-L438 HydrophobicContact CG1-CD2 4.39Å; I415-I440 HydrophobicContact CG2-CD1 4.28Å
416	I	98.1	Very high	95.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-61.1	-47.9	173	-66	169.8	0	0	0	109.6	F412 H418 V419 A420 L438 I440 T452 A455 I456 A459 I466	F412-I416 HydrophobicContact CB-CD1 3.95Å; F412-I416 WeakPolarHBondContact O-CG1 3.49Å; F412-I416 PolarHBondContact O-N 3.4Å; F412-I416 VanDerWaalsContact O-N 3.11Å; I416-H418 VanDerWaalsContact C-N 3.3Å; I416-H418 PolarHBondContact O-N 3.36Å; I416-V419 PolarHBondContact O-N 2.92Å; I416-A420 WeakPolarHBondContact O-CB 3.5Å; I416-A420 PolarHBondContact O-N 3.34Å; I416-L438 HydrophobicContact CG1-CD2 4Å; I416-I440 HydrophobicContact CD1-CD1 4.36Å; I416-I440 HydrophobicContact CG1-CD1 4.1Å; I416-T452 HydrophobicContact CD1-CG2 4.04Å; I416-A455 HydrophobicContact CB-CB 4.17Å; I416-A455 HydrophobicContact CG2-CB 3.77Å; I416-I456 HydrophobicContact CD1-CD1 4.4Å; I416-I456 HydrophobicContact CD1-CG1 4Å; I416-A459 HydrophobicContact CG2-CB 4.39Å; I416-I466 HydrophobicContact CD1-CD1 4.13Å; I416-I466 HydrophobicContact CG1-CD1 4.09Å; I416-I466 HydrophobicContact CG2-CD1 3.84Å
417	S	97.8	Very high	94.8	Very high	63 Å²	63	40 Å²	40	44%	0.441	21%	0.212	S	C	.	.	H	α-helix	trans	-63.5	-35.4	179.6	-60.5	0	0	0	0	112.4	A413 P414 R421	A413-S417 VanDerWaalsContact O-CB 3.25Å; A413-S417 WeakPolarHBondContact O-CB 3.44Å; A413-S417 PolarHBondContact O-N 2.98Å; A413-S417 PolarHBondContact O-OG 3.26Å; P414-S417 PolarHBondContact O-N 2.98Å; S417-R421 PolarHBondContact O-N 3.41Å
418	H	95.9	Very high	94.4	Very high	41 Å²	41	43.1 Å²	43.1	19%	0.19	23%	0.231	C	C	.	.	H	α-helix	trans	-61.7	-54.1	176.2	-171.2	139.4	0	0	0	111.3	E375 P414 I415 I416 A420 R421 F422	E375-H418 IonicContact OE1-CE1 2.68Å; E375-H418 PolarHBondContact OE1-CE1 3.4Å; E375-H418 VanDerWaalsContact OE1-CE1 3.32Å; E375-H418 IonicContact OE1-CG 2.73Å; E375-H418 IonicContact OE1-ND1 2.79Å; E375-H418 PolarHBondContact OE1-ND1 2.9Å; E375-H418 WeakPolarHBondContact OE2-CB 3.11Å; E375-H418 IonicContact OE2-CG 3.54Å; E375-H418 VanDerWaalsContact OE2-CG 3.31Å; E375-H418 IonicContact OE2-ND1 3.5Å; E375-H418 PolarHBondContact OE2-ND1 3.24Å; P414-H418 PolarHBondContact O-N 3.26Å; I415-H418 PolarHBondContact O-N 3.14Å; I416-H418 VanDerWaalsContact C-N 3.3Å; I416-H418 PolarHBondContact O-N 3.36Å; H418-A420 VanDerWaalsContact C-N 3.31Å; H418-A420 PolarHBondContact O-N 3.02Å; H418-R421 PolarHBondContact CD2-NH2 3.38Å; H418-R421 PolarHBondContact NE2-NH2 2.82Å; H418-R421 WeakPolarHBondContact O-CB 3.49Å; H418-R421 PolarHBondContact O-N 3.02Å; H418-F422 AromaticContact CD2-CD2 3.76Å; H418-F422 AromaticContact CD2-CE2 3.22Å; H418-F422 WeakPolarHBondContact CD2-CE2 3.24Å; H418-F422 AromaticContact NE2-CE2 3.13Å; H418-F422 WeakPolarHBondContact NE2-CE2 3.43Å; H418-F422 AromaticContact NE2-CZ 3.67Å
419	V	97.4	Very high	94	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.018	23%	0.234	C	C	.	.	H	α-helix	trans	-67	-37.7	-178.9	-177.7	0	0	0	0	110.6	T308 I415 I416 R421 F422 A423 F436 L438 M464	T308-V419 HydrophobicContact CG2-CG2 3.81Å; I415-V419 PolarHBondContact O-N 3.21Å; I415-V419 VanDerWaalsContact O-N 3.16Å; I416-V419 PolarHBondContact O-N 2.92Å; V419-R421 PolarHBondContact O-N 3.15Å; V419-F422 PolarHBondContact O-N 3.43Å; V419-A423 PolarHBondContact O-N 2.52Å; V419-F436 HydrophobicContact CG1-CB 4.1Å; V419-F436 HydrophobicContact CG1-CD1 4.32Å; V419-L438 HydrophobicContact CG2-CB 4.42Å; V419-L438 HydrophobicContact CG2-CD1 4.15Å; V419-L438 HydrophobicContact CG2-CD2 4.23Å; V419-L438 HydrophobicContact CG2-CG 4.5Å; V419-M464 HydrophobicContact CB-CE 3.48Å; V419-M464 VanDerWaalsContact CB-CE 3.48Å; V419-M464 HydrophobicContact CB-SD 4.19Å; V419-M464 HydrophobicContact CG1-CE 3.42Å; V419-M464 VanDerWaalsContact CG1-CE 3.42Å; V419-M464 HydrophobicContact CG1-SD 3.92Å; V419-M464 HydrophobicContact CG2-CE 4.47Å
420	A	98	Very high	93.8	Very high	13 Å²	13	50.1 Å²	50.1	11%	0.107	25%	0.254	C	S	.	.	H	α-helix	trans	-56.4	-37.1	173.4	0	0	0	0	0	112.4	I416 H418 F422 A423 A424 A459 L462 M464	I416-A420 WeakPolarHBondContact O-CB 3.5Å; I416-A420 PolarHBondContact O-N 3.34Å; H418-A420 VanDerWaalsContact C-N 3.31Å; H418-A420 PolarHBondContact O-N 3.02Å; A420-F422 VanDerWaalsContact C-N 3.3Å; A420-F422 PolarHBondContact O-N 3.47Å; A420-A423 PolarHBondContact O-N 3.42Å; A420-A424 WeakPolarHBondContact O-CB 3.33Å; A420-A424 PolarHBondContact O-N 2.85Å; A420-A459 HydrophobicContact CB-CB 4.37Å; A420-L462 HydrophobicContact CB-CD1 3.75Å; A420-L462 VanDerWaalsContact O-CD1 3.26Å; A420-L462 WeakPolarHBondContact O-CD1 3.26Å; A420-M464 HydrophobicContact CB-SD 4.21Å
421	R	96.4	Very high	93.8	Very high	122 Å²	122	54.2 Å²	54.2	46%	0.46	27%	0.271	S	S	.	.	H	α-helix	trans	-61.8	-35.5	175.8	-179.6	179.1	52.4	72	6.7	112.7	S417 H418 V419	S417-R421 PolarHBondContact O-N 3.41Å; H418-R421 PolarHBondContact CD2-NH2 3.38Å; H418-R421 PolarHBondContact NE2-NH2 2.82Å; H418-R421 WeakPolarHBondContact O-CB 3.49Å; H418-R421 PolarHBondContact O-N 3.02Å; V419-R421 PolarHBondContact O-N 3.15Å
422	F	93.8	Very high	93.7	Very high	73 Å²	73	52.9 Å²	52.9	32%	0.32	26%	0.264	S	S	.	.	H	α-helix	trans	-75.3	-43	174.1	-65	-65	0	0	0	111.6	H418 V419 A420 A424 Q425 F436	H418-F422 AromaticContact CD2-CD2 3.76Å; H418-F422 AromaticContact CD2-CE2 3.22Å; H418-F422 WeakPolarHBondContact CD2-CE2 3.24Å; H418-F422 AromaticContact NE2-CE2 3.13Å; H418-F422 WeakPolarHBondContact NE2-CE2 3.43Å; H418-F422 AromaticContact NE2-CZ 3.67Å; V419-F422 PolarHBondContact O-N 3.43Å; A420-F422 VanDerWaalsContact C-N 3.3Å; A420-F422 PolarHBondContact O-N 3.47Å; F422-A424 PolarHBondContact O-N 2.9Å; F422-Q425 WeakPolarHBondContact O-CB 3.44Å; F422-Q425 PolarHBondContact O-N 2.98Å; F422-F436 HydrophobicContact CB-CD1 4.32Å; F422-F436 HydrophobicContact CB-CE1 3.69Å; F422-F436 HydrophobicContact CB-CZ 4.13Å
423	A	96.7	Very high	93.6	Very high	0 Å²	0	54 Å²	54	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-34.9	174.2	0	0	0	0	0	112.2	V419 A420 Q425 A426 F436 L462 P463 M464	V419-A423 PolarHBondContact O-N 2.52Å; A420-A423 PolarHBondContact O-N 3.42Å; A423-Q425 VanDerWaalsContact C-N 3.26Å; A423-Q425 PolarHBondContact O-N 3.06Å; A423-A426 WeakPolarHBondContact O-CB 3.34Å; A423-A426 PolarHBondContact O-N 2.96Å; A423-A426 VanDerWaalsContact O-N 3.13Å; A423-F436 HydrophobicContact CB-CB 4.26Å; A423-F436 HydrophobicContact CB-CD2 3.66Å; A423-F436 HydrophobicContact CB-CE2 4.2Å; A423-F436 HydrophobicContact CB-CG 3.97Å; A423-L462 HydrophobicContact CB-CB 3.98Å; A423-L462 HydrophobicContact CB-CD1 4.33Å; A423-P463 HydrophobicContact CB-CG 4.25Å; A423-P463 VanDerWaalsContact O-CD 3.3Å; A423-P463 WeakPolarHBondContact O-CD 3.49Å; A423-P463 WeakPolarHBondContact O-CG 3.42Å; A423-M464 HydrophobicContact CB-CB 4.05Å
424	A	96.6	Very high	93.5	Very high	38 Å²	38	56.4 Å²	56.4	31%	0.314	28%	0.282	S	S	.	.	H	α-helix	trans	-63.5	-28.3	174.8	0	0	0	0	0	113.4	A420 F422 A426 L427 L462	A420-A424 WeakPolarHBondContact O-CB 3.33Å; A420-A424 PolarHBondContact O-N 2.85Å; F422-A424 PolarHBondContact O-N 2.9Å; A424-A426 VanDerWaalsContact C-N 3.29Å; A424-L427 HydrophobicContact CB-CD1 4.3Å; A424-L427 VanDerWaalsContact O-CB 3.23Å; A424-L427 WeakPolarHBondContact O-CB 3.43Å; A424-L427 WeakPolarHBondContact O-CD1 3.46Å; A424-L427 WeakPolarHBondContact O-CG 3.33Å; A424-L427 PolarHBondContact O-N 2.76Å; A424-L462 HydrophobicContact CB-CD1 4.22Å; A424-L462 HydrophobicContact CB-CD2 4.12Å
425	Q	91.3	Very high	93.5	Very high	126 Å²	126	54.2 Å²	54.2	59%	0.589	27%	0.268	S	S	*	.	H	α-helix	trans	-70	-30.3	175.3	-62.7	175.1	1.1	0	0	111.6	F422 A423 L427	F422-Q425 WeakPolarHBondContact O-CB 3.44Å; F422-Q425 PolarHBondContact O-N 2.98Å; A423-Q425 VanDerWaalsContact C-N 3.26Å; A423-Q425 PolarHBondContact O-N 3.06Å; Q425-L427 PolarHBondContact O-N 3.06Å
426	A	89.6	Confident	93.6	Very high	5 Å²	5	55.1 Å²	55.1	4%	0.041	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-72.4	-6.3	175.5	0	0	0	0	0	113.5	A423 A424 Q428 Q429 F436 P463	A423-A426 WeakPolarHBondContact O-CB 3.34Å; A423-A426 PolarHBondContact O-N 2.96Å; A423-A426 VanDerWaalsContact O-N 3.13Å; A424-A426 VanDerWaalsContact C-N 3.29Å; A426-Q428 PolarHBondContact O-N 2.92Å; A426-Q429 HydrophobicContact CB-CG 4.43Å; A426-Q429 WeakPolarHBondContact O-CB 3.39Å; A426-Q429 WeakPolarHBondContact O-CG 3.36Å; A426-Q429 PolarHBondContact O-N 3.08Å; A426-Q429 VanDerWaalsContact O-N 3.13Å; A426-F436 HydrophobicContact CB-CE2 4.01Å; A426-P463 HydrophobicContact CB-CG 3.81Å
427	L	88.5	Confident	93.5	Very high	66 Å²	66	55.1 Å²	55.1	35%	0.346	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.2	-24.6	175.3	-69.6	175.9	0	0	0	114.1	A424 Q425 Q429 L462	A424-L427 HydrophobicContact CB-CD1 4.3Å; A424-L427 VanDerWaalsContact O-CB 3.23Å; A424-L427 WeakPolarHBondContact O-CB 3.43Å; A424-L427 WeakPolarHBondContact O-CD1 3.46Å; A424-L427 WeakPolarHBondContact O-CG 3.33Å; A424-L427 PolarHBondContact O-N 2.76Å; Q425-L427 PolarHBondContact O-N 3.06Å; L427-Q429 VanDerWaalsContact C-N 3.26Å; L427-L462 HydrophobicContact CD1-CD2 3.69Å; L427-L462 HydrophobicContact CD2-CD2 3.98Å; L427-L462 HydrophobicContact CG-CD2 4.02Å
428	Q	85.8	Confident	93.6	Very high	183 Å²	183	52.1 Å²	52.1	86%	0.855	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-83	-1.9	178.9	-60.9	-155.8	-7.8	0	0	113.3	A426	A426-Q428 PolarHBondContact O-N 2.92Å
429	Q	82.4	Confident	93.7	Very high	52 Å²	52	50.1 Å²	50.1	24%	0.243	24%	0.242	C	C	.	.			trans	-74.1	130.2	179.6	-63.1	175.6	-8.8	0	0	110.6	A426 L427 K431	A426-Q429 HydrophobicContact CB-CG 4.43Å; A426-Q429 WeakPolarHBondContact O-CB 3.39Å; A426-Q429 WeakPolarHBondContact O-CG 3.36Å; A426-Q429 PolarHBondContact O-N 3.08Å; A426-Q429 VanDerWaalsContact O-N 3.13Å; L427-Q429 VanDerWaalsContact C-N 3.26Å; Q429-K431 VanDerWaalsContact C-N 3.28Å; Q429-K431 WeakPolarHBondContact CB-O 3.46Å
430	E	88.3	Confident	93.7	Very high	172 Å²	172	50 Å²	50	80%	0.804	24%	0.241	S	C	*	.	S	Bend	trans	-82.3	-8.5	174.1	-62.2	-176.6	168.1	0	0	112.9	L539	E430-L539 WeakPolarHBondContact O-CD2 3.26Å
431	K	92.6	Very high	93.7	Very high	95 Å²	95	49.4 Å²	49.4	41%	0.413	24%	0.236	S	C	.	.	S	Bend	trans	-134.8	157.1	179.9	-57.1	-165.3	-176.5	-179.5	0	110.6	Q429 A433 I542	Q429-K431 VanDerWaalsContact C-N 3.28Å; Q429-K431 WeakPolarHBondContact CB-O 3.46Å; K431-A433 VanDerWaalsContact C-N 3.33Å; K431-A433 PolarHBondContact O-N 2.89Å; K431-I542 HydrophobicContact CB-CG1 4.18Å; K431-I542 HydrophobicContact CD-CB 4.46Å; K431-I542 HydrophobicContact CD-CG2 4.42Å; K431-I542 WeakPolarHBondContact CD-O 3.15Å; K431-I542 PolarHBondContact NZ-O 3.11Å
432	A	93.1	Very high	93.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-72.7	82.2	177.8	0	0	0	0	0	111.3	Y298 C303 F534 L539 P540	Y298-A432 HydrophobicContact CD1-CB 3.38Å; Y298-A432 HydrophobicContact CE1-CB 3.54Å; Y298-A432 HydrophobicContact CG-CB 4.43Å; C303-A432 WeakPolarHBondContact CB-O 3.08Å; A432-F534 HydrophobicContact CB-CB 4.39Å; A432-F534 HydrophobicContact CB-CD1 3.55Å; A432-F534 HydrophobicContact CB-CD2 3.71Å; A432-F534 HydrophobicContact CB-CE1 3.6Å; A432-F534 HydrophobicContact CB-CE2 3.74Å; A432-F534 HydrophobicContact CB-CG 3.64Å; A432-F534 HydrophobicContact CB-CZ 3.69Å; A432-L539 HydrophobicContact CB-CB 4.47Å; A432-P540 PolarHBondContact N-O 2.94Å
433	A	93.1	Very high	93.6	Very high	23 Å²	23	40.7 Å²	40.7	19%	0.19	20%	0.202	C	C	.	.			trans	-98.3	-42.6	-175.9	0	0	0	0	0	113.8	C303 Q304 K431 I542	C303-A433 WeakPolarHBondContact CA-O 3.42Å; Q304-A433 PolarHBondContact N-O 2.83Å; K431-A433 VanDerWaalsContact C-N 3.33Å; K431-A433 PolarHBondContact O-N 2.89Å; A433-I542 VanDerWaalsContact CA-CD1 3.46Å; A433-I542 HydrophobicContact CB-CD1 3.55Å; A433-I542 HydrophobicContact CB-CG1 3.95Å
434	Q	94.9	Very high	92.5	Very high	61 Å²	61	40.9 Å²	40.9	29%	0.285	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	137.9	-175	-63.3	177	-59.7	0	0	110.9	M306 F436	M306-Q434 HydrophobicContact CE-CG 4.26Å; M306-Q434 HydrophobicContact CG-CB 4.24Å; Q434-F436 HydrophobicContact CB-CE2 4.16Å
435	Y	97.1	Very high	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.3	170.9	-163.6	-84.1	0	0	0	109.2	Q304 L305 M306 P463 M464 S465 R499 L526 Q529 V530 Y533 F534	Q304-Y435 PolarHBondContact O-N 3.01Å; L305-Y435 CarbonylContact C-O 3.6Å; L305-Y435 WeakPolarHBondContact CA-O 3.33Å; M306-Y435 PolarHBondContact N-O 3.48Å; Y435-P463 HydrophobicContact CD2-CB 3.96Å; Y435-P463 HydrophobicContact CE2-CB 4.39Å; Y435-M464 PolarHBondContact OH-O 2.86Å; Y435-S465 WeakPolarHBondContact CE1-OG 3.47Å; Y435-S465 PolarHBondContact OH-OG 2.94Å; Y435-R499 PolarHBondContact OH-NH1 3.24Å; Y435-L526 HydrophobicContact CE1-CD1 4.16Å; Y435-Q529 PolarHBondContact OH-O 3.27Å; Y435-Q529 VanDerWaalsContact OH-O 3.12Å; Y435-V530 HydrophobicContact CD1-CG2 3.64Å; Y435-V530 HydrophobicContact CD2-CB 4.4Å; Y435-V530 HydrophobicContact CD2-CG1 4.31Å; Y435-V530 HydrophobicContact CD2-CG2 4.05Å; Y435-V530 HydrophobicContact CE1-CG2 3.7Å; Y435-V530 HydrophobicContact CE2-CB 4.34Å; Y435-V530 HydrophobicContact CE2-CG2 4.1Å; Y435-V530 HydrophobicContact CG-CG2 3.81Å; Y435-Y533 HydrophobicContact CD2-CD1 4.37Å; Y435-Y533 HydrophobicContact CE2-CD1 4.18Å; Y435-Y533 HydrophobicContact CE2-CG 4.12Å; Y435-F534 HydrophobicContact CD2-CE2 4.13Å; Y435-F534 AromaticContact CD2-CZ 3.98Å; Y435-F534 HydrophobicContact CD2-CZ 3.98Å
436	F	97.8	Very high	91.6	Very high	21 Å²	21	38.1 Å²	38.1	9%	0.092	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.4	-171.8	-66.2	-101.6	0	0	0	111.2	M306 V419 F422 A423 A426 Q434 P463 M464 S465	M306-F436 HydrophobicContact CB-CD1 3.64Å; M306-F436 HydrophobicContact CB-CE1 3.9Å; M306-F436 HydrophobicContact CB-CG 4.08Å; M306-F436 HydrophobicContact CG-CD1 4.05Å; M306-F436 HydrophobicContact CG-CE1 3.87Å; M306-F436 HydrophobicContact CG-CE2 4.42Å; M306-F436 HydrophobicContact CG-CG 4.41Å; M306-F436 HydrophobicContact CG-CZ 4.07Å; M306-F436 CarbonylContact O-C 3.52Å; V419-F436 HydrophobicContact CG1-CB 4.1Å; V419-F436 HydrophobicContact CG1-CD1 4.32Å; F422-F436 HydrophobicContact CB-CD1 4.32Å; F422-F436 HydrophobicContact CB-CE1 3.69Å; F422-F436 HydrophobicContact CB-CZ 4.13Å; A423-F436 HydrophobicContact CB-CB 4.26Å; A423-F436 HydrophobicContact CB-CD2 3.66Å; A423-F436 HydrophobicContact CB-CE2 4.2Å; A423-F436 HydrophobicContact CB-CG 3.97Å; A426-F436 HydrophobicContact CB-CE2 4.01Å; Q434-F436 HydrophobicContact CB-CE2 4.16Å; F436-P463 HydrophobicContact CD2-CG 4.41Å; F436-P463 WeakPolarHBondContact CD2-O 3.37Å; F436-P463 PolarHBondContact N-O 2.78Å; F436-M464 HydrophobicContact CB-CB 4.28Å; F436-M464 HydrophobicContact CB-CG 4.25Å; F436-M464 CarbonylContact O-C 3.54Å; F436-M464 WeakPolarHBondContact O-CA 3.41Å; F436-S465 PolarHBondContact O-N 2.89Å
437	T	97.4	Very high	91.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	117.3	177.2	-55.1	0	0	0	0	109.2	M306 F307 T308 I348 I467 L526	M306-T437 PolarHBondContact O-N 3.01Å; F307-T437 HydrophobicContact CD2-CG2 4.32Å; T308-T437 PolarHBondContact N-O 2.7Å; I348-T437 HydrophobicContact CD1-CG2 3.95Å; T437-I467 HydrophobicContact CG2-CD1 3.78Å; T437-I467 HydrophobicContact CG2-CG1 4.35Å; T437-L526 HydrophobicContact CG2-CD1 4.5Å; T437-L526 HydrophobicContact CG2-CD2 4.14Å
438	L	98.3	Very high	92	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	116.2	174	170.7	59.2	0	0	0	109.6	T308 I415 I416 V419 I440 M464 S465 I466 I467	T308-L438 HydrophobicContact CG2-CD1 3.93Å; T308-L438 WeakPolarHBondContact O-CA 3.46Å; I415-L438 HydrophobicContact CD1-CD1 4.11Å; I415-L438 HydrophobicContact CG1-CD1 4.13Å; I415-L438 HydrophobicContact CG1-CD2 4.39Å; I416-L438 HydrophobicContact CG1-CD2 4Å; V419-L438 HydrophobicContact CG2-CB 4.42Å; V419-L438 HydrophobicContact CG2-CD1 4.15Å; V419-L438 HydrophobicContact CG2-CD2 4.23Å; V419-L438 HydrophobicContact CG2-CG 4.5Å; L438-I440 HydrophobicContact CD1-CG1 4.23Å; L438-I440 HydrophobicContact CD2-CD1 4.03Å; L438-I440 HydrophobicContact CD2-CG1 4.08Å; L438-I440 HydrophobicContact CG-CD1 4.35Å; L438-I440 HydrophobicContact CG-CG1 3.87Å; L438-M464 HydrophobicContact CB-CE 3.62Å; L438-M464 HydrophobicContact CD2-CE 3.89Å; L438-M464 HydrophobicContact CG-CE 4.42Å; L438-S465 PolarHBondContact N-O 2.71Å; L438-I466 CarbonylContact O-C 3.48Å; L438-I466 WeakPolarHBondContact O-CA 3.35Å; L438-I467 PolarHBondContact O-N 3.3Å
439	L	98.1	Very high	92.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	118.8	168.4	171.3	63.8	0	0	0	109.8	F307 T308 V309 G310 V344 I441 I467 I469	F307-L439 HydrophobicContact CE2-CB 3.68Å; F307-L439 HydrophobicContact CE2-CD2 4.34Å; F307-L439 HydrophobicContact CZ-CB 3.93Å; F307-L439 HydrophobicContact CZ-CD2 3.82Å; T308-L439 PolarHBondContact O-N 2.87Å; V309-L439 CarbonylContact C-O 3.56Å; V309-L439 WeakPolarHBondContact CA-O 3.37Å; V309-L439 HydrophobicContact CG1-CD2 4.4Å; G310-L439 PolarHBondContact N-O 3.19Å; V344-L439 HydrophobicContact CB-CD2 4.01Å; V344-L439 HydrophobicContact CG1-CD2 4.15Å; V344-L439 HydrophobicContact CG2-CD1 4.48Å; V344-L439 HydrophobicContact CG2-CD2 4.3Å; L439-I441 HydrophobicContact CD1-CG1 4.23Å; L439-I441 HydrophobicContact CD2-CD1 4.12Å; L439-I441 HydrophobicContact CD2-CG1 4.27Å; L439-I441 HydrophobicContact CG-CD1 4.39Å; L439-I441 HydrophobicContact CG-CG1 4.02Å; L439-I467 CarbonylContact C-O 3.36Å; L439-I467 WeakPolarHBondContact CA-O 3.22Å; L439-I467 HydrophobicContact CD1-CB 4.13Å; L439-I467 HydrophobicContact CD1-CG2 3.61Å; L439-I469 HydrophobicContact CD1-CD1 3.76Å; L439-I469 HydrophobicContact CD1-CG1 3.9Å
440	I	98.1	Very high	93	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	129.1	171.8	-56.9	-179.7	0	0	0	108.4	G310 F362 F412 I415 I416 L438 I466 I467 I468 I469	G310-I440 WeakPolarHBondContact O-CA 3.39Å; F362-I440 HydrophobicContact CE1-CG2 4.12Å; F362-I440 HydrophobicContact CZ-CG2 3.96Å; F412-I440 HydrophobicContact CB-CD1 4.44Å; F412-I440 HydrophobicContact CD1-CG2 4.23Å; F412-I440 HydrophobicContact CD2-CD1 4.15Å; F412-I440 HydrophobicContact CD2-CG2 4.44Å; F412-I440 HydrophobicContact CE1-CG2 3.87Å; F412-I440 HydrophobicContact CE2-CG2 4.07Å; F412-I440 HydrophobicContact CG-CD1 4.22Å; F412-I440 HydrophobicContact CZ-CG2 3.8Å; I415-I440 HydrophobicContact CG2-CD1 4.28Å; I416-I440 HydrophobicContact CD1-CD1 4.36Å; I416-I440 HydrophobicContact CG1-CD1 4.1Å; L438-I440 HydrophobicContact CD1-CG1 4.23Å; L438-I440 HydrophobicContact CD2-CD1 4.03Å; L438-I440 HydrophobicContact CD2-CG1 4.08Å; L438-I440 HydrophobicContact CG-CD1 4.35Å; L438-I440 HydrophobicContact CG-CG1 3.87Å; I440-I466 HydrophobicContact CD1-CG2 4.04Å; I440-I466 HydrophobicContact CG1-CG2 4.45Å; I440-I467 PolarHBondContact N-O 2.82Å; I440-I468 HydrophobicContact CB-CG1 4.43Å; I440-I468 CarbonylContact O-C 3.6Å; I440-I468 WeakPolarHBondContact O-CA 3.32Å; I440-I469 PolarHBondContact O-N 3.02Å
441	I	97.9	Very high	93.4	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	125.4	174.1	-48.1	168.8	0	0	0	108.1	G310 D312 Y337 A340 I341 L439 I469 V471	G310-I441 PolarHBondContact O-N 2.87Å; D312-I441 WeakPolarHBondContact CB-O 3.29Å; D312-I441 PolarHBondContact N-O 3.44Å; Y337-I441 HydrophobicContact CD1-CB 3.81Å; Y337-I441 HydrophobicContact CD1-CG2 3.35Å; Y337-I441 HydrophobicContact CE1-CB 3.96Å; Y337-I441 HydrophobicContact CE1-CG2 3.58Å; Y337-I441 WeakPolarHBondContact CE1-O 3.38Å; Y337-I441 HydrophobicContact CG-CG2 4.09Å; A340-I441 HydrophobicContact CB-CD1 3.91Å; A340-I441 HydrophobicContact CB-CG1 4.41Å; A340-I441 HydrophobicContact CB-CG2 4.45Å; I341-I441 HydrophobicContact CD1-CD1 4.33Å; I341-I441 HydrophobicContact CG1-CD1 3.5Å; I341-I441 VanDerWaalsContact CG1-CD1 3.5Å; L439-I441 HydrophobicContact CD1-CG1 4.23Å; L439-I441 HydrophobicContact CD2-CD1 4.12Å; L439-I441 HydrophobicContact CD2-CG1 4.27Å; L439-I441 HydrophobicContact CG-CD1 4.39Å; L439-I441 HydrophobicContact CG-CG1 4.02Å; I441-I469 WeakPolarHBondContact CA-O 3.4Å; I441-V471 HydrophobicContact CG2-CG1 3.71Å; I441-V471 HydrophobicContact CG2-CG2 4.41Å
442	T	96.1	Very high	93.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	152.8	-172	178.5	0	0	0	0	112	D312 F412 G444 I468 I469 G470 V471 M479	D312-T442 WeakPolarHBondContact OD2-CB 3.36Å; D312-T442 PolarHBondContact OD2-OG1 2.74Å; F412-T442 HydrophobicContact CE1-CG2 4.36Å; F412-T442 HydrophobicContact CE2-CG2 4.35Å; F412-T442 HydrophobicContact CZ-CG2 3.52Å; T442-G444 PolarHBondContact OG1-N 2.79Å; T442-I468 HydrophobicContact CG2-CG2 4.17Å; T442-I469 PolarHBondContact N-O 3.38Å; T442-I469 VanDerWaalsContact N-O 3.13Å; T442-G470 CarbonylContact O-C 3.6Å; T442-G470 WeakPolarHBondContact O-CA 3.31Å; T442-V471 WeakPolarHBondContact O-CG2 3.32Å; T442-V471 PolarHBondContact O-N 2.85Å; T442-M479 HydrophobicContact CG2-CE 3.95Å
443	D	91.8	Very high	93.7	Very high	12 Å²	12	28 Å²	28	6%	0.064	15%	0.151	C	C	.	.	S	Bend	trans	-93.2	0.8	175.3	74.3	-42	0	0	0	114.7	S316 N317 L326 Y337 V471 A474	S316-D443 WeakPolarHBondContact CB-OD2 3.38Å; S316-D443 VanDerWaalsContact OG-CG 3.28Å; S316-D443 PolarHBondContact OG-OD1 3.43Å; S316-D443 PolarHBondContact OG-OD2 2.61Å; N317-D443 PolarHBondContact N-OD2 3.36Å; N317-D443 VanDerWaalsContact N-OD2 3.15Å; N317-D443 PolarHBondContact ND2-OD1 3.47Å; N317-D443 VanDerWaalsContact OD1-CB 3.24Å; N317-D443 WeakPolarHBondContact OD1-CB 3.47Å; N317-D443 VanDerWaalsContact OD1-CG 3.24Å; L326-D443 HydrophobicContact CD1-CB 3.32Å; Y337-D443 PolarHBondContact OH-N 3.37Å; D443-V471 WeakPolarHBondContact CA-O 3.24Å; D443-V471 HydrophobicContact CB-CG2 4.09Å; D443-A474 WeakPolarHBondContact O-CB 3.32Å
444	G	74.4	Confident	93.9	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	16%	0.155	C	C	.	.	S	Bend	trans	113.5	156.2	167.1	0	0	0	0	0	114.7	T442	T442-G444 PolarHBondContact OG1-N 2.79Å
445	V	79.5	Confident	94	Very high	92 Å²	92	27 Å²	27	56%	0.558	15%	0.146	S	C	*	.			trans	77.4	96.6	-173.1	-167	0	0	0	0	114.2	T410	T410-V445 WeakPolarHBondContact CB-O 3.4Å; T410-V445 PolarHBondContact OG1-O 2.79Å
446	I	88.9	Confident	94.1	Very high	15 Å²	15	27.1 Å²	27.1	8%	0.077	15%	0.147	C	C	.	.			trans	-77	128.1	168.7	-60.8	164.1	0	0	0	108.5	F412 D448 M449 M479 L482	F412-I446 HydrophobicContact CD2-CD1 3.77Å; F412-I446 HydrophobicContact CD2-CG1 3.87Å; F412-I446 HydrophobicContact CE1-CG1 4.47Å; F412-I446 HydrophobicContact CE2-CD1 3.59Å; F412-I446 HydrophobicContact CE2-CG1 3.58Å; F412-I446 HydrophobicContact CG-CG1 4.42Å; F412-I446 HydrophobicContact CZ-CD1 4.37Å; F412-I446 HydrophobicContact CZ-CG1 3.88Å; I446-D448 WeakPolarHBondContact CG2-OD1 3.28Å; I446-M449 HydrophobicContact CB-CE 4.09Å; I446-M449 HydrophobicContact CD1-CE 3.91Å; I446-M449 HydrophobicContact CG2-CB 4.46Å; I446-M449 HydrophobicContact CG2-CE 4.42Å; I446-M479 HydrophobicContact CD1-CE 3.96Å; I446-M479 HydrophobicContact CD1-CG 4.36Å; I446-M479 HydrophobicContact CD1-SD 4.21Å; I446-M479 HydrophobicContact CG1-CE 3.64Å; I446-M479 HydrophobicContact CG1-SD 4.41Å; I446-L482 HydrophobicContact CD1-CD1 3.48Å; I446-L482 VanDerWaalsContact CD1-CD1 3.48Å
447	S	92.2	Very high	94.1	Very high	69 Å²	69	26.1 Å²	26.1	48%	0.483	14%	0.143	S	C	.	.	S	Bend	trans	-92.1	-27.8	180	-58.8	0	0	0	0	113.1	P409 T410 N411	P409-S447 VanDerWaalsContact CB-CB 3.47Å; P409-S447 WeakPolarHBondContact CB-OG 3.21Å; T410-S447 PolarHBondContact N-OG 2.72Å; T410-S447 WeakPolarHBondContact O-CB 3.39Å; T410-S447 PolarHBondContact O-N 3.42Å; N411-S447 WeakPolarHBondContact OD1-CB 3.44Å
448	D	94.4	Very high	94.1	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.053	16%	0.162	C	C	.	.			trans	-106.8	49.4	-179.5	67.7	-19.5	0	0	0	111.2	N411 F412 A413 I446 D450 E451 T452	N411-D448 VanDerWaalsContact CA-CG 3.44Å; N411-D448 WeakPolarHBondContact CA-OD1 3.13Å; N411-D448 WeakPolarHBondContact CA-OD2 3.49Å; N411-D448 HydrophobicContact CB-CB 4.33Å; N411-D448 VanDerWaalsContact CB-OD2 3.26Å; N411-D448 WeakPolarHBondContact CB-OD2 3.49Å; F412-D448 PolarHBondContact N-OD1 3.32Å; F412-D448 PolarHBondContact N-OD2 2.87Å; F412-D448 VanDerWaalsContact N-OD2 3.14Å; A413-D448 WeakPolarHBondContact CB-OD2 3.47Å; A413-D448 PolarHBondContact N-OD2 2.67Å; I446-D448 WeakPolarHBondContact CG2-OD1 3.28Å; D448-D450 VanDerWaalsContact C-N 3.3Å; D448-D450 PolarHBondContact O-N 3.03Å; D448-E451 WeakPolarHBondContact CA-OE2 3.18Å; D448-E451 HydrophobicContact CB-CB 4.25Å; D448-E451 PolarHBondContact O-N 2.79Å; D448-T452 WeakPolarHBondContact O-CB 3.31Å; D448-T452 PolarHBondContact O-N 3.22Å; D448-T452 PolarHBondContact O-OG1 2.85Å; D448-T452 PolarHBondContact OD1-OG1 2.85Å
449	M	93.6	Very high	94.1	Very high	43 Å²	43	30.3 Å²	30.3	21%	0.212	16%	0.162	C	C	.	.	H	α-helix	trans	-57.4	-43.7	-173.6	177.5	57	70.5	0	0	112.2	I446 T452 R453 A478 L482	I446-M449 HydrophobicContact CB-CE 4.09Å; I446-M449 HydrophobicContact CD1-CE 3.91Å; I446-M449 HydrophobicContact CG2-CB 4.46Å; I446-M449 HydrophobicContact CG2-CE 4.42Å; M449-T452 PolarHBondContact O-N 3.09Å; M449-R453 VanDerWaalsContact O-CG 3.24Å; M449-R453 WeakPolarHBondContact O-CG 3.16Å; M449-R453 PolarHBondContact O-N 3.25Å; M449-R453 HydrophobicContact SD-CG 4.16Å; M449-A478 HydrophobicContact CE-CB 3.51Å; M449-L482 HydrophobicContact SD-CD2 3.94Å; M449-L482 HydrophobicContact SD-CG 4.35Å
450	D	94.7	Very high	94	Very high	82 Å²	82	30.4 Å²	30.4	44%	0.439	16%	0.163	S	C	.	.	H	α-helix	trans	-65.7	-46.4	-178.6	-82.4	-7.7	0	0	0	110.6	D448 T452 R453 D454 N492	D448-D450 VanDerWaalsContact C-N 3.3Å; D448-D450 PolarHBondContact O-N 3.03Å; D450-T452 VanDerWaalsContact C-N 3.33Å; D450-T452 PolarHBondContact O-N 2.79Å; D450-R453 PolarHBondContact O-N 3.16Å; D450-R453 IonicContact OD1-NH1 3.6Å; D450-R453 PolarHBondContact OD1-NH1 2.96Å; D450-D454 PolarHBondContact O-N 3.37Å; D450-D454 VanDerWaalsContact O-N 3.1Å; D450-N492 WeakPolarHBondContact CA-ND2 3.42Å; D450-N492 VanDerWaalsContact CB-ND2 3.3Å; D450-N492 WeakPolarHBondContact CB-ND2 3.19Å; D450-N492 WeakPolarHBondContact CB-OD1 3.22Å; D450-N492 VanDerWaalsContact CG-OD1 3.27Å; D450-N492 PolarHBondContact O-ND2 3.18Å; D450-N492 PolarHBondContact OD1-OD1 2.83Å; D450-N492 VanDerWaalsContact OD1-OD1 3.12Å
451	E	96.6	Very high	93.9	Very high	108 Å²	108	33.5 Å²	33.5	51%	0.505	18%	0.176	S	C	.	.	H	α-helix	trans	-66.6	-35.7	175.8	-63.5	78.8	-177.7	0	0	112.2	A413 D448 D454 A455	A413-E451 HydrophobicContact CB-CB 3.64Å; D448-E451 WeakPolarHBondContact CA-OE2 3.18Å; D448-E451 HydrophobicContact CB-CB 4.25Å; D448-E451 PolarHBondContact O-N 2.79Å; E451-D454 PolarHBondContact O-N 3.4Å; E451-A455 WeakPolarHBondContact O-CB 3.23Å; E451-A455 PolarHBondContact O-N 3.14Å
452	T	96.4	Very high	93.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-44.3	176.7	-68.5	0	0	0	0	110.6	F412 A413 I416 D448 M449 D450 D454 A455 I456 L482	F412-T452 HydrophobicContact CB-CG2 4.07Å; F412-T452 HydrophobicContact CD2-CG2 4.49Å; A413-T452 PolarHBondContact N-OG1 2.89Å; I416-T452 HydrophobicContact CD1-CG2 4.04Å; D448-T452 WeakPolarHBondContact O-CB 3.31Å; D448-T452 PolarHBondContact O-N 3.22Å; D448-T452 PolarHBondContact O-OG1 2.85Å; D448-T452 PolarHBondContact OD1-OG1 2.85Å; M449-T452 PolarHBondContact O-N 3.09Å; D450-T452 VanDerWaalsContact C-N 3.33Å; D450-T452 PolarHBondContact O-N 2.79Å; T452-D454 VanDerWaalsContact C-N 3.35Å; T452-D454 PolarHBondContact O-N 2.81Å; T452-A455 PolarHBondContact O-N 3.02Å; T452-I456 HydrophobicContact CG2-CD1 3.72Å; T452-I456 HydrophobicContact CG2-CG1 4.46Å; T452-I456 WeakPolarHBondContact O-CD1 3.48Å; T452-I456 VanDerWaalsContact O-CG1 3.26Å; T452-I456 WeakPolarHBondContact O-CG1 3.23Å; T452-I456 PolarHBondContact O-N 2.99Å; T452-L482 HydrophobicContact CG2-CD1 3.87Å
453	R	96.4	Very high	94	Very high	47 Å²	47	34.6 Å²	34.6	18%	0.177	18%	0.182	C	C	.	.	H	α-helix	trans	-59.6	-45.9	173.9	-73	168.3	63.9	-153.9	-3.1	111.4	M449 D450 A455 I456 V457 F481 L482 L489 R490 S491 N492	M449-R453 VanDerWaalsContact O-CG 3.24Å; M449-R453 WeakPolarHBondContact O-CG 3.16Å; M449-R453 PolarHBondContact O-N 3.25Å; M449-R453 HydrophobicContact SD-CG 4.16Å; D450-R453 PolarHBondContact O-N 3.16Å; D450-R453 IonicContact OD1-NH1 3.6Å; D450-R453 PolarHBondContact OD1-NH1 2.96Å; R453-A455 VanDerWaalsContact C-N 3.33Å; R453-A455 PolarHBondContact O-N 3.33Å; R453-I456 PolarHBondContact O-N 3.17Å; R453-V457 WeakPolarHBondContact O-CB 3.31Å; R453-V457 VanDerWaalsContact O-CG2 3.31Å; R453-V457 WeakPolarHBondContact O-CG2 3.47Å; R453-V457 PolarHBondContact O-N 2.96Å; R453-F481 HydrophobicContact CG-CE1 4.42Å; R453-L482 HydrophobicContact CG-CD2 4.03Å; R453-L489 HydrophobicContact CG-CD1 4.28Å; R453-R490 PolarHBondContact NE-O 3.11Å; R453-R490 PolarHBondContact NH2-O 3.43Å; R453-S491 PolarHBondContact NH2-O 3.05Å; R453-N492 PolarHBondContact NH1-OD1 3.38Å
454	D	97.2	Very high	94.3	Very high	51 Å²	51	34 Å²	34	27%	0.273	18%	0.179	S	C	.	.	H	α-helix	trans	-61.3	-43.5	177.7	-71.8	-13.1	0	0	0	111.2	D450 E451 T452 V457 Q458 S491 N492	D450-D454 PolarHBondContact O-N 3.37Å; D450-D454 VanDerWaalsContact O-N 3.1Å; E451-D454 PolarHBondContact O-N 3.4Å; T452-D454 VanDerWaalsContact C-N 3.35Å; T452-D454 PolarHBondContact O-N 2.81Å; D454-V457 PolarHBondContact O-N 2.66Å; D454-Q458 WeakPolarHBondContact O-CG 3.41Å; D454-Q458 PolarHBondContact O-N 3.22Å; D454-S491 VanDerWaalsContact OD1-CA 3.3Å; D454-S491 WeakPolarHBondContact OD1-CA 3.29Å; D454-S491 WeakPolarHBondContact OD1-CB 3.03Å; D454-N492 PolarHBondContact OD1-N 3.31Å; D454-N492 PolarHBondContact OD1-ND2 3.09Å; D454-N492 PolarHBondContact OD2-ND2 3.34Å
455	A	97.9	Very high	95.4	Very high	12 Å²	12	33.8 Å²	33.8	10%	0.099	18%	0.177	C	C	.	.	H	α-helix	trans	-63	-43.6	177.6	0	0	0	0	0	112.3	A413 I416 E451 T452 R453 Q458 A459	A413-A455 HydrophobicContact CB-CB 4.39Å; I416-A455 HydrophobicContact CB-CB 4.17Å; I416-A455 HydrophobicContact CG2-CB 3.77Å; E451-A455 WeakPolarHBondContact O-CB 3.23Å; E451-A455 PolarHBondContact O-N 3.14Å; T452-A455 PolarHBondContact O-N 3.02Å; R453-A455 VanDerWaalsContact C-N 3.33Å; R453-A455 PolarHBondContact O-N 3.33Å; A455-Q458 PolarHBondContact O-N 3.39Å; A455-A459 VanDerWaalsContact O-CB 3.25Å; A455-A459 WeakPolarHBondContact O-CB 3.27Å; A455-A459 PolarHBondContact O-N 3.13Å
456	I	97.8	Very high	96.3	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.015	15%	0.15	C	C	.	.	H	α-helix	trans	-64.7	-45	177.4	-67.2	162.8	0	0	0	110.7	I416 T452 R453 Q458 A459 S460 I466 L482 L489 I501 V502	I416-I456 HydrophobicContact CD1-CD1 4.4Å; I416-I456 HydrophobicContact CD1-CG1 4Å; T452-I456 HydrophobicContact CG2-CD1 3.72Å; T452-I456 HydrophobicContact CG2-CG1 4.46Å; T452-I456 WeakPolarHBondContact O-CD1 3.48Å; T452-I456 VanDerWaalsContact O-CG1 3.26Å; T452-I456 WeakPolarHBondContact O-CG1 3.23Å; T452-I456 PolarHBondContact O-N 2.99Å; R453-I456 PolarHBondContact O-N 3.17Å; I456-Q458 VanDerWaalsContact C-N 3.32Å; I456-Q458 PolarHBondContact O-N 2.83Å; I456-A459 CarbonylContact O-C 3.59Å; I456-A459 PolarHBondContact O-N 3.22Å; I456-A459 VanDerWaalsContact O-N 3.17Å; I456-S460 PolarHBondContact O-N 3.28Å; I456-I466 HydrophobicContact CG1-CD1 3.92Å; I456-L482 HydrophobicContact CD1-CB 4.45Å; I456-L482 HydrophobicContact CD1-CD1 4.02Å; I456-L482 HydrophobicContact CD1-CD2 3.78Å; I456-L482 HydrophobicContact CD1-CG 4.3Å; I456-L489 HydrophobicContact CB-CD2 3.84Å; I456-L489 HydrophobicContact CD1-CD2 4.2Å; I456-L489 HydrophobicContact CG2-CD2 3.44Å; I456-L489 VanDerWaalsContact CG2-CD2 3.44Å; I456-I501 HydrophobicContact CG2-CD1 4Å; I456-I501 HydrophobicContact CG2-CG1 3.91Å; I456-V502 HydrophobicContact CD1-CG2 4Å; I456-V502 HydrophobicContact CG1-CG2 4.25Å; I456-V502 HydrophobicContact CG2-CG2 3.72Å
457	V	97.4	Very high	96.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-61.2	-41.3	178.5	169.9	0	0	0	0	111.1	R453 D454 S460 E495 A497	R453-V457 WeakPolarHBondContact O-CB 3.31Å; R453-V457 VanDerWaalsContact O-CG2 3.31Å; R453-V457 WeakPolarHBondContact O-CG2 3.47Å; R453-V457 PolarHBondContact O-N 2.96Å; D454-V457 PolarHBondContact O-N 2.66Å; V457-S460 WeakPolarHBondContact O-CB 3.08Å; V457-S460 PolarHBondContact O-N 3.39Å; V457-S460 PolarHBondContact O-OG 2.69Å; V457-E495 HydrophobicContact CG1-CB 4.27Å; V457-E495 HydrophobicContact CG1-CG 4.01Å; V457-A497 HydrophobicContact CG2-CB 4.25Å
458	Q	97.6	Very high	96.9	Very high	89 Å²	89	25.6 Å²	25.6	42%	0.416	13%	0.125	S	C	.	.	H	α-helix	trans	-68.8	-40.8	174	-62.8	-45.6	-46.2	0	0	112.5	D454 A455 I456 S460 K461 E495	D454-Q458 WeakPolarHBondContact O-CG 3.41Å; D454-Q458 PolarHBondContact O-N 3.22Å; A455-Q458 PolarHBondContact O-N 3.39Å; I456-Q458 VanDerWaalsContact C-N 3.32Å; I456-Q458 PolarHBondContact O-N 2.83Å; Q458-S460 PolarHBondContact O-N 3.17Å; Q458-K461 PolarHBondContact O-N 2.99Å; Q458-E495 PolarHBondContact NE2-OE2 3.14Å
459	A	98.1	Very high	97	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-63.8	-26.7	176.9	0	0	0	0	0	112.8	I416 A420 A455 I456 K461 L462 M464 I501	I416-A459 HydrophobicContact CG2-CB 4.39Å; A420-A459 HydrophobicContact CB-CB 4.37Å; A455-A459 VanDerWaalsContact O-CB 3.25Å; A455-A459 WeakPolarHBondContact O-CB 3.27Å; A455-A459 PolarHBondContact O-N 3.13Å; I456-A459 CarbonylContact O-C 3.59Å; I456-A459 PolarHBondContact O-N 3.22Å; I456-A459 VanDerWaalsContact O-N 3.17Å; A459-K461 PolarHBondContact O-N 2.88Å; A459-L462 WeakPolarHBondContact O-CB 3.39Å; A459-L462 PolarHBondContact O-N 3.31Å; A459-M464 HydrophobicContact CB-SD 4.31Å; A459-I501 HydrophobicContact CB-CD1 3.68Å
460	S	97.3	Very high	97.1	Very high	1 Å²	1	23 Å²	23	1%	0.007	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.7	177.4	78	0	0	0	0	113.3	I456 V457 Q458 V498 R499	I456-S460 PolarHBondContact O-N 3.28Å; V457-S460 WeakPolarHBondContact O-CB 3.08Å; V457-S460 PolarHBondContact O-N 3.39Å; V457-S460 PolarHBondContact O-OG 2.69Å; Q458-S460 PolarHBondContact O-N 3.17Å; S460-V498 PolarHBondContact OG-N 2.9Å; S460-R499 WeakPolarHBondContact O-CD 3.48Å; S460-R499 VanDerWaalsContact O-CG 3.3Å; S460-R499 WeakPolarHBondContact O-CG 3.35Å; S460-R499 PolarHBondContact O-NE 3.22Å
461	K	96.5	Very high	97.2	Very high	66 Å²	66	19.1 Å²	19.1	29%	0.287	9%	0.091	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-9.9	178.6	-58.4	168.2	-172.4	170.1	0	113.4	Q458 A459 E495 V498 R537	Q458-K461 PolarHBondContact O-N 2.99Å; A459-K461 PolarHBondContact O-N 2.88Å; K461-E495 VanDerWaalsContact CE-OE1 3.28Å; K461-E495 WeakPolarHBondContact CE-OE1 3.04Å; K461-E495 IonicContact NZ-OE1 3.32Å; K461-E495 PolarHBondContact NZ-OE1 3.38Å; K461-E495 IonicContact NZ-OE2 2.74Å; K461-V498 HydrophobicContact CG-CG2 3.91Å; K461-R537 PolarHBondContact O-NH2 3.3Å
462	L	97.9	Very high	97	Very high	20 Å²	20	14.1 Å²	14.1	11%	0.105	7%	0.068	C	C	.	.	S	Bend	trans	-107.3	164.9	-169.9	-54.9	-176.9	0	0	0	111.4	A420 A423 A424 L427 A459 M464 R499 Y533	A420-L462 HydrophobicContact CB-CD1 3.75Å; A420-L462 VanDerWaalsContact O-CD1 3.26Å; A420-L462 WeakPolarHBondContact O-CD1 3.26Å; A423-L462 HydrophobicContact CB-CB 3.98Å; A423-L462 HydrophobicContact CB-CD1 4.33Å; A424-L462 HydrophobicContact CB-CD1 4.22Å; A424-L462 HydrophobicContact CB-CD2 4.12Å; L427-L462 HydrophobicContact CD1-CD2 3.69Å; L427-L462 HydrophobicContact CD2-CD2 3.98Å; L427-L462 HydrophobicContact CG-CD2 4.02Å; A459-L462 WeakPolarHBondContact O-CB 3.39Å; A459-L462 PolarHBondContact O-N 3.31Å; L462-M464 PolarHBondContact O-N 3Å; L462-R499 PolarHBondContact O-NH2 2.8Å; L462-Y533 WeakPolarHBondContact O-CD2 3.38Å; L462-Y533 WeakPolarHBondContact O-CE2 3.42Å
463	P	97.4	Very high	96.7	Very high	2 Å²	2	19.6 Å²	19.6	1%	0.013	10%	0.098	C	C	.	.	S	Bend	trans	-75.9	70.2	174.6	29	-31.2	0	0	0	110.8	A423 A426 Y435 F436 Y533	A423-P463 HydrophobicContact CB-CG 4.25Å; A423-P463 VanDerWaalsContact O-CD 3.3Å; A423-P463 WeakPolarHBondContact O-CD 3.49Å; A423-P463 WeakPolarHBondContact O-CG 3.42Å; A426-P463 HydrophobicContact CB-CG 3.81Å; Y435-P463 HydrophobicContact CD2-CB 3.96Å; Y435-P463 HydrophobicContact CE2-CB 4.39Å; F436-P463 HydrophobicContact CD2-CG 4.41Å; F436-P463 WeakPolarHBondContact CD2-O 3.37Å; F436-P463 PolarHBondContact N-O 2.78Å; P463-Y533 HydrophobicContact CB-CD1 3.88Å; P463-Y533 HydrophobicContact CB-CE1 3.43Å; P463-Y533 VanDerWaalsContact CB-CE1 3.43Å; P463-Y533 HydrophobicContact CB-CE2 4.32Å; P463-Y533 WeakPolarHBondContact CD-OH 3.44Å; P463-Y533 HydrophobicContact CG-CE1 4.25Å
464	M	97.6	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	142.1	-171.4	-178.5	176.4	-177.5	0	0	113.9	V419 A420 A423 Y435 F436 L438 A459 L462 I466 R499	V419-M464 HydrophobicContact CB-CE 3.48Å; V419-M464 VanDerWaalsContact CB-CE 3.48Å; V419-M464 HydrophobicContact CB-SD 4.19Å; V419-M464 HydrophobicContact CG1-CE 3.42Å; V419-M464 VanDerWaalsContact CG1-CE 3.42Å; V419-M464 HydrophobicContact CG1-SD 3.92Å; V419-M464 HydrophobicContact CG2-CE 4.47Å; A420-M464 HydrophobicContact CB-SD 4.21Å; A423-M464 HydrophobicContact CB-CB 4.05Å; Y435-M464 PolarHBondContact OH-O 2.86Å; F436-M464 HydrophobicContact CB-CB 4.28Å; F436-M464 HydrophobicContact CB-CG 4.25Å; F436-M464 CarbonylContact O-C 3.54Å; F436-M464 WeakPolarHBondContact O-CA 3.41Å; L438-M464 HydrophobicContact CB-CE 3.62Å; L438-M464 HydrophobicContact CD2-CE 3.89Å; L438-M464 HydrophobicContact CG-CE 4.42Å; A459-M464 HydrophobicContact CB-SD 4.31Å; L462-M464 PolarHBondContact O-N 3Å; M464-I466 HydrophobicContact CE-CG1 3.99Å; M464-R499 PolarHBondContact O-NH2 2.79Å
465	S	97.9	Very high	96	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	154.4	167	-70.5	0	0	0	0	111.3	Y435 F436 L438 I501 Q529	Y435-S465 WeakPolarHBondContact CE1-OG 3.47Å; Y435-S465 PolarHBondContact OH-OG 2.94Å; F436-S465 PolarHBondContact O-N 2.89Å; L438-S465 PolarHBondContact N-O 2.71Å; S465-I501 CarbonylContact C-O 3.54Å; S465-Q529 WeakPolarHBondContact OG-CB 3.26Å; S465-Q529 PolarHBondContact OG-OE1 2.89Å
466	I	98.1	Very high	95.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.5	179.7	-56.6	166.7	0	0	0	107.5	I416 L438 I440 I456 M464 I468 I501 V502 Q503	I416-I466 HydrophobicContact CD1-CD1 4.13Å; I416-I466 HydrophobicContact CG1-CD1 4.09Å; I416-I466 HydrophobicContact CG2-CD1 3.84Å; L438-I466 CarbonylContact O-C 3.48Å; L438-I466 WeakPolarHBondContact O-CA 3.35Å; I440-I466 HydrophobicContact CD1-CG2 4.04Å; I440-I466 HydrophobicContact CG1-CG2 4.45Å; I456-I466 HydrophobicContact CG1-CD1 3.92Å; M464-I466 HydrophobicContact CE-CG1 3.99Å; I466-I468 HydrophobicContact CG2-CD1 4.43Å; I466-I468 HydrophobicContact CG2-CG1 3.98Å; I466-I501 HydrophobicContact CD1-CD1 3.87Å; I466-I501 HydrophobicContact CD1-CG1 4.32Å; I466-I501 HydrophobicContact CG1-CD1 4.36Å; I466-I501 PolarHBondContact N-O 2.96Å; I466-V502 HydrophobicContact CB-CG2 4.39Å; I466-V502 HydrophobicContact CD1-CG2 4.48Å; I466-V502 CarbonylContact O-C 3.53Å; I466-V502 VanDerWaalsContact O-CA 3.27Å; I466-V502 WeakPolarHBondContact O-CA 3.4Å; I466-Q503 PolarHBondContact O-N 2.84Å
467	I	97.1	Very high	95.4	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.01	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127.7	174.8	-65.9	173.8	0	0	0	106.9	T437 L438 L439 I440 I469 Q503 V522 L523	T437-I467 HydrophobicContact CG2-CD1 3.78Å; T437-I467 HydrophobicContact CG2-CG1 4.35Å; L438-I467 PolarHBondContact O-N 3.3Å; L439-I467 CarbonylContact C-O 3.36Å; L439-I467 WeakPolarHBondContact CA-O 3.22Å; L439-I467 HydrophobicContact CD1-CB 4.13Å; L439-I467 HydrophobicContact CD1-CG2 3.61Å; I440-I467 PolarHBondContact N-O 2.82Å; I467-I469 HydrophobicContact CG2-CG1 4.35Å; I467-Q503 CarbonylContact C-O 3.55Å; I467-Q503 WeakPolarHBondContact CA-O 3.34Å; I467-V522 HydrophobicContact CD1-CG1 4.15Å; I467-V522 HydrophobicContact CG2-CG1 3.31Å; I467-L523 HydrophobicContact CD1-CD2 4.04Å
468	I	96.5	Very high	95	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.9	179	-53.4	179.8	0	0	0	108.5	F412 I440 T442 I466 M479 L482 V502 Q503 F504 V505	F412-I468 HydrophobicContact CD2-CD1 4.5Å; F412-I468 HydrophobicContact CE2-CD1 4.26Å; F412-I468 HydrophobicContact CE2-CG2 4.36Å; I440-I468 HydrophobicContact CB-CG1 4.43Å; I440-I468 CarbonylContact O-C 3.6Å; I440-I468 WeakPolarHBondContact O-CA 3.32Å; T442-I468 HydrophobicContact CG2-CG2 4.17Å; I466-I468 HydrophobicContact CG2-CD1 4.43Å; I466-I468 HydrophobicContact CG2-CG1 3.98Å; I468-M479 HydrophobicContact CG2-CG 4.13Å; I468-L482 HydrophobicContact CD1-CD1 4.31Å; I468-V502 HydrophobicContact CD1-CG1 3.84Å; I468-V502 HydrophobicContact CG1-CG1 4.28Å; I468-Q503 PolarHBondContact N-O 2.88Å; I468-F504 HydrophobicContact CB-CD2 4.04Å; I468-F504 HydrophobicContact CG2-CD2 3.88Å; I468-F504 HydrophobicContact CG2-CE2 4.37Å; I468-F504 WeakPolarHBondContact O-CA 3.33Å; I468-F504 WeakPolarHBondContact O-CD2 3.49Å; I468-V505 PolarHBondContact O-N 2.9Å
469	I	96.6	Very high	94.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	116.5	172.6	-61.1	180	0	0	0	109.3	A340 V344 L439 I440 I441 T442 I467 V471 V505 F507 V522	A340-I469 HydrophobicContact CB-CD1 3.86Å; A340-I469 HydrophobicContact CB-CG2 4.06Å; V344-I469 HydrophobicContact CG2-CD1 3.73Å; L439-I469 HydrophobicContact CD1-CD1 3.76Å; L439-I469 HydrophobicContact CD1-CG1 3.9Å; I440-I469 PolarHBondContact O-N 3.02Å; I441-I469 WeakPolarHBondContact CA-O 3.4Å; T442-I469 PolarHBondContact N-O 3.38Å; T442-I469 VanDerWaalsContact N-O 3.13Å; I467-I469 HydrophobicContact CG2-CG1 4.35Å; I469-V471 HydrophobicContact CG2-CG1 4.35Å; I469-V505 WeakPolarHBondContact CA-O 3.17Å; I469-F507 HydrophobicContact CG2-CB 3.97Å; I469-F507 HydrophobicContact CG2-CD2 4.17Å; I469-V522 HydrophobicContact CD1-CG1 4.26Å; I469-V522 HydrophobicContact CD1-CG2 3.84Å; I469-V522 HydrophobicContact CG1-CG2 4.07Å
470	G	96.3	Very high	94.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	114.9	175.8	0	0	0	0	0	111.6	T442 F476 V505 F507	T442-G470 CarbonylContact O-C 3.6Å; T442-G470 WeakPolarHBondContact O-CA 3.31Å; G470-F476 VanDerWaalsContact CA-CZ 3.42Å; G470-V505 PolarHBondContact N-O 2.57Å; G470-F507 WeakPolarHBondContact O-CB 3.24Å; G470-F507 PolarHBondContact O-N 3.21Å
471	V	95.6	Very high	94	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.175	C	C	.	.			trans	-100.3	159.8	177.6	-61.4	0	0	0	0	112.2	L326 E336 Y337 I441 T442 D443 I469 F476 F507	L326-V471 HydrophobicContact CD1-CG2 4.36Å; E336-V471 HydrophobicContact CB-CB 3.86Å; E336-V471 HydrophobicContact CB-CG1 3.63Å; E336-V471 WeakPolarHBondContact OE2-CA 3.4Å; E336-V471 WeakPolarHBondContact OE2-CB 3.22Å; Y337-V471 HydrophobicContact CD2-CG2 4.01Å; Y337-V471 HydrophobicContact CE1-CG2 4.26Å; Y337-V471 HydrophobicContact CE2-CG2 3.43Å; Y337-V471 VanDerWaalsContact CE2-CG2 3.43Å; I441-V471 HydrophobicContact CG2-CG1 3.71Å; I441-V471 HydrophobicContact CG2-CG2 4.41Å; T442-V471 WeakPolarHBondContact O-CG2 3.32Å; T442-V471 PolarHBondContact O-N 2.85Å; D443-V471 WeakPolarHBondContact CA-O 3.24Å; D443-V471 HydrophobicContact CB-CG2 4.09Å; I469-V471 HydrophobicContact CG2-CG1 4.35Å; V471-F476 WeakPolarHBondContact O-CZ 3.48Å; V471-F507 HydrophobicContact CG1-CB 4.09Å; V471-F507 HydrophobicContact CG1-CG 4.38Å
472	G	93.4	Very high	93.7	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	78	-148.4	-177.7	0	0	0	0	0	113.1	E336 R511	E336-G472 PolarHBondContact OE2-N 2.86Å; G472-R511 PolarHBondContact O-NH2 2.79Å
473	N	90.6	Very high	93.2	Very high	114 Å²	114	28.5 Å²	28.5	61%	0.61	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.3	15.4	-170	-64.7	-52.2	0	0	0	113.6	R508 R511	N473-R508 PolarHBondContact O-NH1 3.25Å; N473-R511 PolarHBondContact OD1-NH1 3.05Å; N473-R511 PolarHBondContact OD1-NH2 3.21Å
474	A	89.8	Confident	92.3	Very high	36 Å²	36	29 Å²	29	30%	0.298	17%	0.167	S	C	.	.	S	Bend	trans	-63.9	179.4	-178.1	0	0	0	0	0	113.3	D443 F476 R508	D443-A474 WeakPolarHBondContact O-CB 3.32Å; A474-F476 HydrophobicContact CB-CE1 4.27Å; A474-R508 PolarHBondContact O-NH2 2.86Å
475	D	88.9	Confident	91.4	Very high	123 Å²	123	34.3 Å²	34.3	66%	0.658	20%	0.195	S	C	*	.			trans	-82.4	127.6	168.5	-174.6	4.5	0	0	0	109.8	A477	D475-A477 WeakPolarHBondContact OD1-CB 3.45Å; D475-A477 PolarHBondContact OD1-N 3.28Å
476	F	91.5	Very high	90.4	Very high	7 Å²	7	39.2 Å²	39.2	3%	0.031	24%	0.235	C	C	.	.			trans	-109.2	11.3	-178.3	-63.7	-42.1	0	0	0	113.8	G470 V471 A474 A478 M479 E480 F504 P506	G470-F476 VanDerWaalsContact CA-CZ 3.42Å; V471-F476 WeakPolarHBondContact O-CZ 3.48Å; A474-F476 HydrophobicContact CB-CE1 4.27Å; F476-A478 PolarHBondContact O-N 3.22Å; F476-A478 VanDerWaalsContact O-N 3.08Å; F476-M479 HydrophobicContact CD1-SD 4.26Å; F476-M479 PolarHBondContact O-N 3.39Å; F476-E480 PolarHBondContact O-N 3.43Å; F476-F504 HydrophobicContact CB-CE1 3.78Å; F476-F504 HydrophobicContact CB-CE2 4.41Å; F476-F504 HydrophobicContact CB-CZ 3.45Å; F476-F504 VanDerWaalsContact CB-CZ 3.45Å; F476-F504 HydrophobicContact CD1-CZ 4.21Å; F476-F504 HydrophobicContact CD2-CE1 4.41Å; F476-F504 AromaticContact CD2-CZ 3.62Å; F476-F504 HydrophobicContact CD2-CZ 3.62Å; F476-F504 HydrophobicContact CE2-CZ 4.35Å; F476-F504 HydrophobicContact CG-CE1 4.32Å; F476-F504 HydrophobicContact CG-CE2 4.33Å; F476-F504 AromaticContact CG-CZ 3.54Å; F476-F504 HydrophobicContact CG-CZ 3.54Å; F476-P506 HydrophobicContact CD2-CB 3.84Å; F476-P506 HydrophobicContact CE2-CB 3.95Å
477	A	90.6	Very high	89.7	Confident	49 Å²	49	42.4 Å²	42.4	41%	0.405	26%	0.258	S	S	.	.	H	α-helix	trans	-52.8	-34.4	178.2	0	0	0	0	0	113.4	D475 F481	D475-A477 WeakPolarHBondContact OD1-CB 3.45Å; D475-A477 PolarHBondContact OD1-N 3.28Å; A477-F481 WeakPolarHBondContact O-CB 3.45Å; A477-F481 PolarHBondContact O-N 2.71Å
478	A	89.2	Confident	89.5	Confident	31 Å²	31	46.1 Å²	46.1	26%	0.256	28%	0.281	S	S	.	.	H	α-helix	trans	-62.1	-38.9	174.7	0	0	0	0	0	113	M449 F476 L482	M449-A478 HydrophobicContact CE-CB 3.51Å; F476-A478 PolarHBondContact O-N 3.22Å; F476-A478 VanDerWaalsContact O-N 3.08Å; A478-L482 WeakPolarHBondContact O-CG 3.28Å; A478-L482 PolarHBondContact O-N 3.39Å
479	M	90.8	Very high	89.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-79.4	-38.3	-179.9	-66.7	68.7	177	0	0	111.1	F412 T442 I446 I468 F476 F481 L482 D483 F504	F412-M479 HydrophobicContact CE2-CE 4.4Å; F412-M479 HydrophobicContact CZ-CE 4.23Å; T442-M479 HydrophobicContact CG2-CE 3.95Å; I446-M479 HydrophobicContact CD1-CE 3.96Å; I446-M479 HydrophobicContact CD1-CG 4.36Å; I446-M479 HydrophobicContact CD1-SD 4.21Å; I446-M479 HydrophobicContact CG1-CE 3.64Å; I446-M479 HydrophobicContact CG1-SD 4.41Å; I468-M479 HydrophobicContact CG2-CG 4.13Å; F476-M479 HydrophobicContact CD1-SD 4.26Å; F476-M479 PolarHBondContact O-N 3.39Å; M479-F481 PolarHBondContact O-N 3.07Å; M479-L482 WeakPolarHBondContact O-CB 3.41Å; M479-L482 PolarHBondContact O-N 3.39Å; M479-D483 PolarHBondContact O-N 3.21Å; M479-D483 VanDerWaalsContact O-N 3.14Å; M479-F504 HydrophobicContact CB-CB 4.37Å; M479-F504 HydrophobicContact CB-CD1 3.96Å; M479-F504 HydrophobicContact CB-CD2 3.37Å; M479-F504 HydrophobicContact CB-CE1 4.11Å; M479-F504 HydrophobicContact CB-CE2 3.54Å; M479-F504 HydrophobicContact CB-CG 3.6Å; M479-F504 HydrophobicContact CB-CZ 3.93Å; M479-F504 HydrophobicContact CG-CD2 4.01Å; M479-F504 HydrophobicContact CG-CE2 3.93Å
480	E	90.6	Very high	89.2	Confident	117 Å²	117	51.8 Å²	51.8	55%	0.547	30%	0.303	S	S	.	.	H	α-helix	trans	-59.1	-32.7	171.2	-66.6	178.2	176.9	0	0	111.8	F476 D483 F504	F476-E480 PolarHBondContact O-N 3.43Å; E480-D483 WeakPolarHBondContact O-CB 3.45Å; E480-F504 HydrophobicContact CG-CD1 3.89Å; E480-F504 HydrophobicContact CG-CE1 3.89Å
481	F	90.3	Very high	89	Confident	96 Å²	96	52 Å²	52	42%	0.421	30%	0.304	S	S	.	.	H	α-helix	trans	-68.6	-32.9	172.9	174.8	-98.5	0	0	0	113.1	R453 A477 M479 L489	R453-F481 HydrophobicContact CG-CE1 4.42Å; A477-F481 WeakPolarHBondContact O-CB 3.45Å; A477-F481 PolarHBondContact O-N 2.71Å; M479-F481 PolarHBondContact O-N 3.07Å; F481-L489 HydrophobicContact CD1-CD1 4.28Å; F481-L489 HydrophobicContact CE1-CD1 3.73Å; F481-L489 HydrophobicContact CZ-CD1 4.16Å
482	L	91.2	Very high	88.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	32%	0.321	C	S	.	.	H	α-helix	trans	-76.6	-25.7	179	-67.5	-179.3	0	0	0	113.4	I446 M449 T452 R453 I456 I468 A478 M479 G484 L489 V502	I446-L482 HydrophobicContact CD1-CD1 3.48Å; I446-L482 VanDerWaalsContact CD1-CD1 3.48Å; M449-L482 HydrophobicContact SD-CD2 3.94Å; M449-L482 HydrophobicContact SD-CG 4.35Å; T452-L482 HydrophobicContact CG2-CD1 3.87Å; R453-L482 HydrophobicContact CG-CD2 4.03Å; I456-L482 HydrophobicContact CD1-CB 4.45Å; I456-L482 HydrophobicContact CD1-CD1 4.02Å; I456-L482 HydrophobicContact CD1-CD2 3.78Å; I456-L482 HydrophobicContact CD1-CG 4.3Å; I468-L482 HydrophobicContact CD1-CD1 4.31Å; A478-L482 WeakPolarHBondContact O-CG 3.28Å; A478-L482 PolarHBondContact O-N 3.39Å; M479-L482 WeakPolarHBondContact O-CB 3.41Å; M479-L482 PolarHBondContact O-N 3.39Å; L482-G484 PolarHBondContact O-N 3.22Å; L482-L489 HydrophobicContact CD2-CD1 4.11Å; L482-L489 HydrophobicContact CD2-CD2 4.26Å; L482-V502 HydrophobicContact CB-CG1 4.2Å; L482-V502 WeakPolarHBondContact O-CB 3.42Å
483	D	87.3	Confident	88.6	Confident	16 Å²	16	60.8 Å²	60.8	9%	0.086	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-10.1	-177.4	-156.2	29.7	0	0	0	114.5	M479 E480 D485 D500 Q503 F504	M479-D483 PolarHBondContact O-N 3.21Å; M479-D483 VanDerWaalsContact O-N 3.14Å; E480-D483 WeakPolarHBondContact O-CB 3.45Å; D483-D485 PolarHBondContact O-N 3.3Å; D483-D500 VanDerWaalsContact O-OD2 3.09Å; D483-Q503 WeakPolarHBondContact OD1-CA 3.4Å; D483-F504 HydrophobicContact CB-CB 4.09Å; D483-F504 PolarHBondContact OD1-N 2.94Å
484	G	77.6	Confident	88.7	Confident	14 Å²	14	57.2 Å²	57.2	14%	0.144	34%	0.344	C	S	.	.			trans	70.6	-19.9	170.2	0	0	0	0	0	116.7	L482 A486 S487 D500	L482-G484 PolarHBondContact O-N 3.22Å; G484-A486 VanDerWaalsContact C-N 3.29Å; G484-A486 PolarHBondContact O-N 3.25Å; G484-A486 VanDerWaalsContact O-N 3.16Å; G484-S487 CarbonylContact O-C 3.49Å; G484-S487 PolarHBondContact O-N 2.96Å; G484-S487 VanDerWaalsContact O-N 3.11Å; G484-S487 VanDerWaalsContact O-O 3.05Å; G484-D500 WeakPolarHBondContact CA-OD2 3.29Å
485	D	79.5	Confident	89	Confident	111 Å²	111	58.9 Å²	58.9	59%	0.594	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-39.4	-177.7	-103.7	-4.3	0	0	0	114.6	D483	D483-D485 PolarHBondContact O-N 3.3Å
486	A	77.6	Confident	89.3	Confident	102 Å²	102	57.5 Å²	57.5	84%	0.843	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-28.9	-177.4	0	0	0	0	0	113.1	G484	G484-A486 VanDerWaalsContact C-N 3.29Å; G484-A486 PolarHBondContact O-N 3.25Å; G484-A486 VanDerWaalsContact O-N 3.16Å
487	S	83.8	Confident	89.5	Confident	68 Å²	68	58 Å²	58	48%	0.476	34%	0.341	S	S	.	.	S	Bend	trans	-168	146	-175.7	61.7	0	0	0	0	111.8	G484 L489	G484-S487 CarbonylContact O-C 3.49Å; G484-S487 PolarHBondContact O-N 2.96Å; G484-S487 VanDerWaalsContact O-N 3.11Å; G484-S487 VanDerWaalsContact O-O 3.05Å; S487-L489 PolarHBondContact O-N 3.29Å; S487-L489 VanDerWaalsContact O-N 3.17Å
488	V	91.5	Very high	89.8	Confident	80 Å²	80	59.5 Å²	59.5	49%	0.485	35%	0.345	S	S	.	.			trans	-54.8	120.5	174.4	-178.9	0	0	0	0	110.8	E496	V488-E496 HydrophobicContact CG1-CB 3.87Å; V488-E496 HydrophobicContact CG1-CG 4.12Å
489	L	93.3	Very high	90	Very high	10 Å²	10	58.6 Å²	58.6	5%	0.052	34%	0.335	C	S	.	.			trans	-63.8	138.5	177.4	-168	69.9	0	0	0	110.7	R453 I456 F481 L482 S487 A497	R453-L489 HydrophobicContact CG-CD1 4.28Å; I456-L489 HydrophobicContact CB-CD2 3.84Å; I456-L489 HydrophobicContact CD1-CD2 4.2Å; I456-L489 HydrophobicContact CG2-CD2 3.44Å; I456-L489 VanDerWaalsContact CG2-CD2 3.44Å; F481-L489 HydrophobicContact CD1-CD1 4.28Å; F481-L489 HydrophobicContact CE1-CD1 3.73Å; F481-L489 HydrophobicContact CZ-CD1 4.16Å; L482-L489 HydrophobicContact CD2-CD1 4.11Å; L482-L489 HydrophobicContact CD2-CD2 4.26Å; S487-L489 PolarHBondContact O-N 3.29Å; S487-L489 VanDerWaalsContact O-N 3.17Å; L489-A497 HydrophobicContact CB-CB 4.39Å; L489-A497 PolarHBondContact O-N 2.93Å
490	R	94.2	Very high	90.2	Very high	110 Å²	110	60.8 Å²	60.8	42%	0.415	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-120.3	148.5	177.7	-65	177.3	-173.9	-85.8	-8.2	111.5	R453 G494 E495 E496	R453-R490 PolarHBondContact NE-O 3.11Å; R453-R490 PolarHBondContact NH2-O 3.43Å; R490-G494 PolarHBondContact NH1-O 2.84Å; R490-E495 CarbonylContact C-O 3.53Å; R490-E495 WeakPolarHBondContact CA-O 3.34Å; R490-E496 HydrophobicContact CG-CG 4.08Å; R490-E496 VanDerWaalsContact CZ-CG 3.49Å; R490-E496 IonicContact CZ-OE1 3.95Å; R490-E496 VanDerWaalsContact NH1-CD 3.33Å; R490-E496 IonicContact NH1-OE1 3.12Å; R490-E496 PolarHBondContact NH1-OE1 3.31Å; R490-E496 VanDerWaalsContact NH2-CD 3.34Å; R490-E496 IonicContact NH2-OE1 3.97Å; R490-E496 PolarHBondContact NH2-OE1 3.47Å
491	S	92.8	Very high	90.5	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.021	32%	0.321	C	S	.	.			trans	-71.8	174.9	169.7	74.5	0	0	0	0	110.7	R453 D454 T493 G494 E495	R453-S491 PolarHBondContact NH2-O 3.05Å; D454-S491 VanDerWaalsContact OD1-CA 3.3Å; D454-S491 WeakPolarHBondContact OD1-CA 3.29Å; D454-S491 WeakPolarHBondContact OD1-CB 3.03Å; S491-T493 PolarHBondContact O-N 3.29Å; S491-T493 PolarHBondContact OG-N 2.93Å; S491-T493 PolarHBondContact OG-OG1 3.48Å; S491-G494 PolarHBondContact O-N 3.29Å; S491-G494 VanDerWaalsContact O-N 3.14Å; S491-G494 PolarHBondContact OG-N 3.08Å; S491-E495 PolarHBondContact N-O 2.98Å; S491-E495 WeakPolarHBondContact OG-CB 3.18Å; S491-E495 PolarHBondContact OG-N 3.24Å
492	N	88	Confident	90.8	Very high	68 Å²	68	50.7 Å²	50.7	36%	0.364	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-24.1	172.1	-59.6	-40	0	0	0	112.7	D450 R453 D454 G494	D450-N492 WeakPolarHBondContact CA-ND2 3.42Å; D450-N492 VanDerWaalsContact CB-ND2 3.3Å; D450-N492 WeakPolarHBondContact CB-ND2 3.19Å; D450-N492 WeakPolarHBondContact CB-OD1 3.22Å; D450-N492 VanDerWaalsContact CG-OD1 3.27Å; D450-N492 PolarHBondContact O-ND2 3.18Å; D450-N492 PolarHBondContact OD1-OD1 2.83Å; D450-N492 VanDerWaalsContact OD1-OD1 3.12Å; R453-N492 PolarHBondContact NH1-OD1 3.38Å; D454-N492 PolarHBondContact OD1-N 3.31Å; D454-N492 PolarHBondContact OD1-ND2 3.09Å; D454-N492 PolarHBondContact OD2-ND2 3.34Å; N492-G494 VanDerWaalsContact C-N 3.29Å
493	T	91.1	Very high	91	Very high	121 Å²	121	51.4 Å²	51.4	74%	0.742	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-5	175.1	60.9	0	0	0	0	113	S491	S491-T493 PolarHBondContact O-N 3.29Å; S491-T493 PolarHBondContact OG-N 2.93Å; S491-T493 PolarHBondContact OG-OG1 3.48Å
494	G	92.4	Very high	91.4	Very high	38 Å²	38	51.1 Å²	51.1	39%	0.392	30%	0.302	S	S	.	.			trans	88.4	2.4	-179	0	0	0	0	0	115	R490 S491 N492	R490-G494 PolarHBondContact NH1-O 2.84Å; S491-G494 PolarHBondContact O-N 3.29Å; S491-G494 VanDerWaalsContact O-N 3.14Å; S491-G494 PolarHBondContact OG-N 3.08Å; N492-G494 VanDerWaalsContact C-N 3.29Å
495	E	95.9	Very high	92.1	Very high	71 Å²	71	50.5 Å²	50.5	33%	0.332	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-63.8	132.7	174.1	-173.9	179.8	-167.8	0	0	110.1	V457 Q458 K461 R490 S491	V457-E495 HydrophobicContact CG1-CB 4.27Å; V457-E495 HydrophobicContact CG1-CG 4.01Å; Q458-E495 PolarHBondContact NE2-OE2 3.14Å; K461-E495 VanDerWaalsContact CE-OE1 3.28Å; K461-E495 WeakPolarHBondContact CE-OE1 3.04Å; K461-E495 IonicContact NZ-OE1 3.32Å; K461-E495 PolarHBondContact NZ-OE1 3.38Å; K461-E495 IonicContact NZ-OE2 2.74Å; R490-E495 CarbonylContact C-O 3.53Å; R490-E495 WeakPolarHBondContact CA-O 3.34Å; S491-E495 PolarHBondContact N-O 2.98Å; S491-E495 WeakPolarHBondContact OG-CB 3.18Å; S491-E495 PolarHBondContact OG-N 3.24Å
496	E	96.4	Very high	92.9	Very high	95 Å²	95	46.2 Å²	46.2	44%	0.444	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-84.6	142.5	178.1	-69.2	174.1	-158.6	0	0	111.2	V488 R490	V488-E496 HydrophobicContact CG1-CB 3.87Å; V488-E496 HydrophobicContact CG1-CG 4.12Å; R490-E496 HydrophobicContact CG-CG 4.08Å; R490-E496 VanDerWaalsContact CZ-CG 3.49Å; R490-E496 IonicContact CZ-OE1 3.95Å; R490-E496 VanDerWaalsContact NH1-CD 3.33Å; R490-E496 IonicContact NH1-OE1 3.12Å; R490-E496 PolarHBondContact NH1-OE1 3.31Å; R490-E496 VanDerWaalsContact NH2-CD 3.34Å; R490-E496 IonicContact NH2-OE1 3.97Å; R490-E496 PolarHBondContact NH2-OE1 3.47Å
497	A	95.9	Very high	93.7	Very high	16 Å²	16	42.2 Å²	42.2	13%	0.132	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-60.6	137.4	166.1	0	0	0	0	0	110.4	V457 L489 R499	V457-A497 HydrophobicContact CG2-CB 4.25Å; L489-A497 HydrophobicContact CB-CB 4.39Å; L489-A497 PolarHBondContact O-N 2.93Å; A497-R499 VanDerWaalsContact C-N 3.26Å; A497-R499 PolarHBondContact O-N 3.39Å
498	V	95.6	Very high	94.1	Very high	82 Å²	82	42.7 Å²	42.7	50%	0.497	23%	0.229	S	C	.	.	S	Bend	trans	-73.6	-23.8	-177	-179.9	0	0	0	0	112	S460 K461	S460-V498 PolarHBondContact OG-N 2.9Å; K461-V498 HydrophobicContact CG-CG2 3.91Å
499	R	95.1	Very high	94.1	Very high	11 Å²	11	43.9 Å²	43.9	4%	0.042	23%	0.232	C	C	.	.	S	Bend	trans	-159.8	158.4	179.9	56.3	-177.2	-170.4	88.3	11	108.7	Y435 S460 L462 M464 A497 I501	Y435-R499 PolarHBondContact OH-NH1 3.24Å; S460-R499 WeakPolarHBondContact O-CD 3.48Å; S460-R499 VanDerWaalsContact O-CG 3.3Å; S460-R499 WeakPolarHBondContact O-CG 3.35Å; S460-R499 PolarHBondContact O-NE 3.22Å; L462-R499 PolarHBondContact O-NH2 2.8Å; M464-R499 PolarHBondContact O-NH2 2.79Å; A497-R499 VanDerWaalsContact C-N 3.26Å; A497-R499 PolarHBondContact O-N 3.39Å; R499-I501 HydrophobicContact CG-CG2 3.9Å
500	D	94.9	Very high	94	Very high	47 Å²	47	44.9 Å²	44.9	25%	0.251	24%	0.237	S	C	.	.			trans	-73.3	137.2	169.4	-153.2	-18.4	0	0	0	110.6	D483 G484 V502	D483-D500 VanDerWaalsContact O-OD2 3.09Å; G484-D500 WeakPolarHBondContact CA-OD2 3.29Å; D500-V502 PolarHBondContact OD1-N 3.01Å
501	I	96.6	Very high	93.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.234	C	C	.	.			trans	-137.8	-5	-177.5	75	170.9	0	0	0	112.8	I456 A459 S465 I466 R499	I456-I501 HydrophobicContact CG2-CD1 4Å; I456-I501 HydrophobicContact CG2-CG1 3.91Å; A459-I501 HydrophobicContact CB-CD1 3.68Å; S465-I501 CarbonylContact C-O 3.54Å; I466-I501 HydrophobicContact CD1-CD1 3.87Å; I466-I501 HydrophobicContact CD1-CG1 4.32Å; I466-I501 HydrophobicContact CG1-CD1 4.36Å; I466-I501 PolarHBondContact N-O 2.96Å; R499-I501 HydrophobicContact CG-CG2 3.9Å
502	V	96.3	Very high	93.1	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	130.9	-174.5	-179	0	0	0	0	107.6	I456 I466 I468 L482 D500	I456-V502 HydrophobicContact CD1-CG2 4Å; I456-V502 HydrophobicContact CG1-CG2 4.25Å; I456-V502 HydrophobicContact CG2-CG2 3.72Å; I466-V502 HydrophobicContact CB-CG2 4.39Å; I466-V502 HydrophobicContact CD1-CG2 4.48Å; I466-V502 CarbonylContact O-C 3.53Å; I466-V502 VanDerWaalsContact O-CA 3.27Å; I466-V502 WeakPolarHBondContact O-CA 3.4Å; I468-V502 HydrophobicContact CD1-CG1 3.84Å; I468-V502 HydrophobicContact CG1-CG1 4.28Å; L482-V502 HydrophobicContact CB-CG1 4.2Å; L482-V502 WeakPolarHBondContact O-CB 3.42Å; D500-V502 PolarHBondContact OD1-N 3.01Å
503	Q	95.3	Very high	92.8	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.075	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.4	164.1	176.9	77.9	80.4	0	0	108.4	I466 I467 I468 D483 V505 E525	I466-Q503 PolarHBondContact O-N 2.84Å; I467-Q503 CarbonylContact C-O 3.55Å; I467-Q503 WeakPolarHBondContact CA-O 3.34Å; I468-Q503 PolarHBondContact N-O 2.88Å; D483-Q503 WeakPolarHBondContact OD1-CA 3.4Å; Q503-V505 HydrophobicContact CG-CG2 4.06Å; Q503-E525 PolarHBondContact OE1-OE1 3.15Å
504	F	94.6	Very high	92.1	Very high	9 Å²	9	49 Å²	49	4%	0.039	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.6	171.6	174.8	-112.9	0	0	0	112.2	I468 F476 M479 E480 D483 P506	I468-F504 HydrophobicContact CB-CD2 4.04Å; I468-F504 HydrophobicContact CG2-CD2 3.88Å; I468-F504 HydrophobicContact CG2-CE2 4.37Å; I468-F504 WeakPolarHBondContact O-CA 3.33Å; I468-F504 WeakPolarHBondContact O-CD2 3.49Å; F476-F504 HydrophobicContact CB-CE1 3.78Å; F476-F504 HydrophobicContact CB-CE2 4.41Å; F476-F504 HydrophobicContact CB-CZ 3.45Å; F476-F504 VanDerWaalsContact CB-CZ 3.45Å; F476-F504 HydrophobicContact CD1-CZ 4.21Å; F476-F504 HydrophobicContact CD2-CE1 4.41Å; F476-F504 AromaticContact CD2-CZ 3.62Å; F476-F504 HydrophobicContact CD2-CZ 3.62Å; F476-F504 HydrophobicContact CE2-CZ 4.35Å; F476-F504 HydrophobicContact CG-CE1 4.32Å; F476-F504 HydrophobicContact CG-CE2 4.33Å; F476-F504 AromaticContact CG-CZ 3.54Å; F476-F504 HydrophobicContact CG-CZ 3.54Å; M479-F504 HydrophobicContact CB-CB 4.37Å; M479-F504 HydrophobicContact CB-CD1 3.96Å; M479-F504 HydrophobicContact CB-CD2 3.37Å; M479-F504 HydrophobicContact CB-CE1 4.11Å; M479-F504 HydrophobicContact CB-CE2 3.54Å; M479-F504 HydrophobicContact CB-CG 3.6Å; M479-F504 HydrophobicContact CB-CZ 3.93Å; M479-F504 HydrophobicContact CG-CD2 4.01Å; M479-F504 HydrophobicContact CG-CE2 3.93Å; E480-F504 HydrophobicContact CG-CD1 3.89Å; E480-F504 HydrophobicContact CG-CE1 3.89Å; D483-F504 HydrophobicContact CB-CB 4.09Å; D483-F504 PolarHBondContact OD1-N 2.94Å; F504-P506 HydrophobicContact CE1-CB 4.3Å; F504-P506 HydrophobicContact CE1-CG 4.36Å; F504-P506 HydrophobicContact CZ-CB 4.03Å
505	V	94.3	Very high	91.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	120.3	174.3	-176.4	0	0	0	0	110.9	I468 I469 G470 Q503 F507 F510 L518 V522	I468-V505 PolarHBondContact O-N 2.9Å; I469-V505 WeakPolarHBondContact CA-O 3.17Å; G470-V505 PolarHBondContact N-O 2.57Å; Q503-V505 HydrophobicContact CG-CG2 4.06Å; V505-F507 PolarHBondContact O-N 3.5Å; V505-F510 HydrophobicContact CG1-CD2 4.14Å; V505-F510 HydrophobicContact CG1-CE2 3.32Å; V505-F510 HydrophobicContact CG1-CZ 3.95Å; V505-L518 HydrophobicContact CG1-CD1 3.98Å; V505-V522 HydrophobicContact CB-CG2 3.79Å; V505-V522 HydrophobicContact CG1-CG2 3.99Å; V505-V522 HydrophobicContact CG2-CB 4.38Å; V505-V522 HydrophobicContact CG2-CG2 3.71Å
506	P	94.8	Very high	90.1	Very high	21 Å²	21	56.4 Å²	56.4	14%	0.136	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	118.7	172	31.4	-34.3	0	0	0	110.5	F476 F504 R508 D509 F510	F476-P506 HydrophobicContact CD2-CB 3.84Å; F476-P506 HydrophobicContact CE2-CB 3.95Å; F504-P506 HydrophobicContact CE1-CB 4.3Å; F504-P506 HydrophobicContact CE1-CG 4.36Å; F504-P506 HydrophobicContact CZ-CB 4.03Å; P506-R508 HydrophobicContact CB-CG 4.39Å; P506-R508 PolarHBondContact O-N 2.95Å; P506-R508 VanDerWaalsContact O-N 3.14Å; P506-D509 WeakPolarHBondContact CG-OD2 3.21Å; P506-D509 PolarHBondContact O-N 3.2Å; P506-F510 WeakPolarHBondContact O-CD2 3.02Å
507	F	94.3	Very high	89.6	Confident	18 Å²	18	54.4 Å²	54.4	8%	0.079	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.9	-30.2	180	-170.1	-83.3	0	0	0	112.6	E336 A340 I469 G470 V471 V505 D509 F510 R511 L518	E336-F507 HydrophobicContact CB-CD1 3.86Å; E336-F507 HydrophobicContact CB-CE1 3.92Å; E336-F507 HydrophobicContact CB-CG 4.22Å; E336-F507 HydrophobicContact CB-CZ 4.29Å; E336-F507 HydrophobicContact CG-CD1 3.67Å; E336-F507 HydrophobicContact CG-CE1 3.62Å; E336-F507 HydrophobicContact CG-CG 4.5Å; E336-F507 HydrophobicContact CG-CZ 4.39Å; A340-F507 HydrophobicContact CB-CD2 4.23Å; A340-F507 HydrophobicContact CB-CE2 4.31Å; I469-F507 HydrophobicContact CG2-CB 3.97Å; I469-F507 HydrophobicContact CG2-CD2 4.17Å; G470-F507 WeakPolarHBondContact O-CB 3.24Å; G470-F507 PolarHBondContact O-N 3.21Å; V471-F507 HydrophobicContact CG1-CB 4.09Å; V471-F507 HydrophobicContact CG1-CG 4.38Å; V505-F507 PolarHBondContact O-N 3.5Å; F507-D509 PolarHBondContact O-N 2.78Å; F507-D509 VanDerWaalsContact O-N 3.07Å; F507-F510 PolarHBondContact O-N 2.86Å; F507-R511 HydrophobicContact CD1-CG 4.28Å; F507-R511 HydrophobicContact CE1-CG 4.28Å; F507-L518 HydrophobicContact CD2-CD1 4.39Å; F507-L518 HydrophobicContact CD2-CD2 3.56Å; F507-L518 HydrophobicContact CE2-CD2 3.38Å; F507-L518 HydrophobicContact CZ-CD2 4.42Å
508	R	92.7	Very high	89.2	Confident	78 Å²	78	53.9 Å²	53.9	29%	0.294	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-54.8	-30.1	-178	82.5	-179	77.4	-167.3	4.4	113.2	N473 A474 P506 F510	N473-R508 PolarHBondContact O-NH1 3.25Å; A474-R508 PolarHBondContact O-NH2 2.86Å; P506-R508 HydrophobicContact CB-CG 4.39Å; P506-R508 PolarHBondContact O-N 2.95Å; P506-R508 VanDerWaalsContact O-N 3.14Å; R508-F510 PolarHBondContact O-N 2.64Å
509	D	91.5	Very high	88.8	Confident	104 Å²	104	50.1 Å²	50.1	56%	0.556	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-71.9	-13.9	-178.3	-66.2	-0.3	0	0	0	112.1	P506 F507	P506-D509 WeakPolarHBondContact CG-OD2 3.21Å; P506-D509 PolarHBondContact O-N 3.2Å; F507-D509 PolarHBondContact O-N 2.78Å; F507-D509 VanDerWaalsContact O-N 3.07Å
510	F	90.9	Very high	88.5	Confident	32 Å²	32	53.5 Å²	53.5	14%	0.14	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-117.2	1.7	-174.1	-55.5	-88.1	0	0	0	113.9	V505 P506 F507 R508 N512 A513 T517 L518	V505-F510 HydrophobicContact CG1-CD2 4.14Å; V505-F510 HydrophobicContact CG1-CE2 3.32Å; V505-F510 HydrophobicContact CG1-CZ 3.95Å; P506-F510 WeakPolarHBondContact O-CD2 3.02Å; F507-F510 PolarHBondContact O-N 2.86Å; R508-F510 PolarHBondContact O-N 2.64Å; F510-N512 PolarHBondContact O-N 2.94Å; F510-A513 HydrophobicContact CB-CB 4.25Å; F510-A513 HydrophobicContact CD1-CB 4.29Å; F510-A513 PolarHBondContact O-N 3.34Å; F510-T517 HydrophobicContact CD1-CG2 4Å; F510-T517 HydrophobicContact CE1-CG2 3.91Å; F510-T517 WeakPolarHBondContact CE1-O 3.5Å; F510-L518 HydrophobicContact CB-CB 4.1Å; F510-L518 HydrophobicContact CB-CD1 4.38Å; F510-L518 HydrophobicContact CD1-CB 4.16Å; F510-L518 HydrophobicContact CD2-CD1 3.64Å; F510-L518 HydrophobicContact CE2-CD1 4.09Å; F510-L518 HydrophobicContact CG-CB 4Å; F510-L518 HydrophobicContact CG-CD1 3.96Å
511	R	85.1	Confident	88.2	Confident	98 Å²	98	53.2 Å²	53.2	37%	0.37	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	-33.7	-179.2	-76.4	177.3	176.7	142.1	10	114	E336 G472 N473 F507	E336-R511 IonicContact OE1-CZ 3.03Å; E336-R511 IonicContact OE1-NE 2.64Å; E336-R511 PolarHBondContact OE1-NE 2.93Å; E336-R511 IonicContact OE1-NH2 2.77Å; E336-R511 PolarHBondContact OE1-NH2 2.89Å; E336-R511 IonicContact OE2-NH2 2.78Å; G472-R511 PolarHBondContact O-NH2 2.79Å; N473-R511 PolarHBondContact OD1-NH1 3.05Å; N473-R511 PolarHBondContact OD1-NH2 3.21Å; F507-R511 HydrophobicContact CD1-CG 4.28Å; F507-R511 HydrophobicContact CE1-CG 4.28Å
512	N	82.9	Confident	87.8	Confident	170 Å²	170	53.2 Å²	53.2	91%	0.909	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.8	7.8	180	-59.3	-43.3	0	0	0	112.8	F510	F510-N512 PolarHBondContact O-N 2.94Å
513	A	81.3	Confident	87.6	Confident	35 Å²	35	53.2 Å²	53.2	29%	0.289	27%	0.269	S	S	.	.	S	Bend	trans	-92.9	157.4	179.1	0	0	0	0	0	110.7	F510 K515 T517	F510-A513 HydrophobicContact CB-CB 4.25Å; F510-A513 HydrophobicContact CD1-CB 4.29Å; F510-A513 PolarHBondContact O-N 3.34Å; A513-K515 PolarHBondContact O-N 2.8Å; A513-T517 HydrophobicContact CB-CG2 4.45Å
514	P	78.2	Confident	87.2	Confident	84 Å²	84	55 Å²	55	55%	0.545	29%	0.287	S	S	.	.			trans	-52.7	140.1	164.4	-22.6	32.6	0	0	0	110.2	E516 T517	P514-E516 WeakPolarHBondContact CB-OE2 3.4Å; P514-E516 PolarHBondContact O-N 2.88Å; P514-E516 VanDerWaalsContact O-N 3.13Å; P514-T517 WeakPolarHBondContact CD-OG1 3.49Å; P514-T517 WeakPolarHBondContact O-CB 3.35Å; P514-T517 PolarHBondContact O-N 3.48Å; P514-T517 PolarHBondContact O-OG1 2.79Å
515	K	71.4	Confident	87	Confident	148 Å²	148	56.4 Å²	56.4	64%	0.643	29%	0.294	S	S	*	.	H	α-helix	trans	-57.8	-31.9	-174.7	-70.2	-177.1	177.9	-179.3	0	112.2	A513 T517 L518	A513-K515 PolarHBondContact O-N 2.8Å; K515-T517 PolarHBondContact O-N 3.47Å; K515-L518 PolarHBondContact O-N 2.69Å
516	E	74.9	Confident	87	Confident	117 Å²	117	56.5 Å²	56.5	55%	0.547	29%	0.294	S	S	.	.	H	α-helix	trans	-60.4	-29.7	177.8	-56.7	71.9	-153.4	0	0	111.2	P514 L518 A519 K520	P514-E516 WeakPolarHBondContact CB-OE2 3.4Å; P514-E516 PolarHBondContact O-N 2.88Å; P514-E516 VanDerWaalsContact O-N 3.13Å; E516-L518 PolarHBondContact O-N 2.94Å; E516-A519 PolarHBondContact O-N 3.35Å; E516-K520 WeakPolarHBondContact O-CB 3.39Å; E516-K520 VanDerWaalsContact O-CG 3.25Å; E516-K520 WeakPolarHBondContact O-CG 3.48Å; E516-K520 PolarHBondContact O-N 3.38Å
517	T	85.1	Confident	87	Confident	53 Å²	53	55.7 Å²	55.7	33%	0.325	29%	0.289	S	S	.	.	H	α-helix	trans	-68	-36.6	-179.8	-36.9	0	0	0	0	112	F510 A513 P514 K515 S521	F510-T517 HydrophobicContact CD1-CG2 4Å; F510-T517 HydrophobicContact CE1-CG2 3.91Å; F510-T517 WeakPolarHBondContact CE1-O 3.5Å; A513-T517 HydrophobicContact CB-CG2 4.45Å; P514-T517 WeakPolarHBondContact CD-OG1 3.49Å; P514-T517 WeakPolarHBondContact O-CB 3.35Å; P514-T517 PolarHBondContact O-N 3.48Å; P514-T517 PolarHBondContact O-OG1 2.79Å; K515-T517 PolarHBondContact O-N 3.47Å; T517-S521 PolarHBondContact O-N 3.28Å; T517-S521 VanDerWaalsContact O-N 3.15Å
518	L	87.8	Confident	87	Confident	6 Å²	6	61 Å²	61	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-64.8	-50.5	175.7	174.4	65.1	0	0	0	110.1	A343 V505 F507 F510 K515 E516 K520 S521 V522	A343-L518 HydrophobicContact CB-CD2 3.91Å; A343-L518 HydrophobicContact CB-CG 4.43Å; V505-L518 HydrophobicContact CG1-CD1 3.98Å; F507-L518 HydrophobicContact CD2-CD1 4.39Å; F507-L518 HydrophobicContact CD2-CD2 3.56Å; F507-L518 HydrophobicContact CE2-CD2 3.38Å; F507-L518 HydrophobicContact CZ-CD2 4.42Å; F510-L518 HydrophobicContact CB-CB 4.1Å; F510-L518 HydrophobicContact CB-CD1 4.38Å; F510-L518 HydrophobicContact CD1-CB 4.16Å; F510-L518 HydrophobicContact CD2-CD1 3.64Å; F510-L518 HydrophobicContact CE2-CD1 4.09Å; F510-L518 HydrophobicContact CG-CB 4Å; F510-L518 HydrophobicContact CG-CD1 3.96Å; K515-L518 PolarHBondContact O-N 2.69Å; E516-L518 PolarHBondContact O-N 2.94Å; L518-K520 VanDerWaalsContact C-N 3.29Å; L518-K520 PolarHBondContact O-N 2.97Å; L518-S521 PolarHBondContact O-N 2.98Å; L518-S521 VanDerWaalsContact O-N 3.17Å; L518-V522 HydrophobicContact CD1-CG2 3.76Å; L518-V522 HydrophobicContact CG-CG2 4.15Å; L518-V522 WeakPolarHBondContact O-CB 3.3Å; L518-V522 WeakPolarHBondContact O-CG2 3.18Å; L518-V522 PolarHBondContact O-N 3.14Å
519	A	87.6	Confident	87.1	Confident	2 Å²	2	57.7 Å²	57.7	2%	0.017	30%	0.302	C	S	.	.	H	α-helix	trans	-57	-44	178.6	0	0	0	0	0	112.1	I347 E516 S521 V522 L523	I347-A519 HydrophobicContact CD1-CB 3.36Å; E516-A519 PolarHBondContact O-N 3.35Å; A519-S521 PolarHBondContact O-N 3.26Å; A519-V522 PolarHBondContact O-N 2.74Å; A519-L523 VanDerWaalsContact O-CB 3.28Å; A519-L523 WeakPolarHBondContact O-CB 3.37Å; A519-L523 WeakPolarHBondContact O-CG 3.28Å; A519-L523 PolarHBondContact O-N 2.66Å
520	K	87.5	Confident	87.4	Confident	82 Å²	82	52.7 Å²	52.7	36%	0.357	28%	0.275	S	S	.	.	H	α-helix	trans	-53.7	-49.5	174.3	-77.1	176.8	176.6	-165.2	0	112.9	E85 E86 E516 L518 A524	E85-K520 HydrophobicContact CB-CG 4.4Å; E85-K520 HydrophobicContact CG-CB 4.13Å; E85-K520 HydrophobicContact CG-CG 3.6Å; E86-K520 WeakPolarHBondContact OE1-CE 3.45Å; E86-K520 IonicContact OE1-NZ 2.7Å; E86-K520 PolarHBondContact OE1-NZ 3.26Å; E516-K520 WeakPolarHBondContact O-CB 3.39Å; E516-K520 VanDerWaalsContact O-CG 3.25Å; E516-K520 WeakPolarHBondContact O-CG 3.48Å; E516-K520 PolarHBondContact O-N 3.38Å; L518-K520 VanDerWaalsContact C-N 3.29Å; L518-K520 PolarHBondContact O-N 2.97Å; K520-A524 WeakPolarHBondContact O-CB 3.46Å; K520-A524 PolarHBondContact O-N 2.81Å
521	S	88.8	Confident	87.5	Confident	41 Å²	41	52.2 Å²	52.2	29%	0.287	28%	0.275	S	S	.	.	H	α-helix	trans	-69.2	-36.6	-180	-166.8	0	0	0	0	112.5	T517 L518 A519	T517-S521 PolarHBondContact O-N 3.28Å; T517-S521 VanDerWaalsContact O-N 3.15Å; L518-S521 PolarHBondContact O-N 2.98Å; L518-S521 VanDerWaalsContact O-N 3.17Å; A519-S521 PolarHBondContact O-N 3.26Å
522	V	89.3	Confident	88	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.006	27%	0.271	C	S	.	.	H	α-helix	trans	-74.7	-35	-175.7	168.5	0	0	0	0	112.5	V344 I467 I469 V505 L518 A519	V344-V522 HydrophobicContact CG1-CG1 4.42Å; V344-V522 HydrophobicContact CG2-CB 4.26Å; V344-V522 HydrophobicContact CG2-CG1 3.54Å; I467-V522 HydrophobicContact CD1-CG1 4.15Å; I467-V522 HydrophobicContact CG2-CG1 3.31Å; I469-V522 HydrophobicContact CD1-CG1 4.26Å; I469-V522 HydrophobicContact CD1-CG2 3.84Å; I469-V522 HydrophobicContact CG1-CG2 4.07Å; V505-V522 HydrophobicContact CB-CG2 3.79Å; V505-V522 HydrophobicContact CG1-CG2 3.99Å; V505-V522 HydrophobicContact CG2-CB 4.38Å; V505-V522 HydrophobicContact CG2-CG2 3.71Å; L518-V522 HydrophobicContact CD1-CG2 3.76Å; L518-V522 HydrophobicContact CG-CG2 4.15Å; L518-V522 WeakPolarHBondContact O-CB 3.3Å; L518-V522 WeakPolarHBondContact O-CG2 3.18Å; L518-V522 PolarHBondContact O-N 3.14Å; A519-V522 PolarHBondContact O-N 2.74Å
523	L	91.6	Very high	88.6	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-98.4	-3.2	-174.1	-66	177.4	0	0	0	113.5	F84 E85 V344 I347 I348 I467 A519 E525 L526 P527	F84-L523 HydrophobicContact CD1-CB 4.17Å; F84-L523 HydrophobicContact CE1-CB 3.82Å; F84-L523 HydrophobicContact CE1-CD1 4.39Å; F84-L523 HydrophobicContact CE1-CD2 4.14Å; F84-L523 HydrophobicContact CE1-CG 4.35Å; F84-L523 HydrophobicContact CZ-CD2 4.49Å; E85-L523 HydrophobicContact CB-CB 3.92Å; V344-L523 HydrophobicContact CG1-CD2 4.12Å; I347-L523 HydrophobicContact CB-CD1 3.8Å; I347-L523 HydrophobicContact CD1-CD1 3.73Å; I347-L523 HydrophobicContact CG1-CD1 4.4Å; I347-L523 HydrophobicContact CG2-CD1 3.57Å; I348-L523 HydrophobicContact CD1-CD2 3.68Å; I348-L523 HydrophobicContact CG1-CD2 3.81Å; I467-L523 HydrophobicContact CD1-CD2 4.04Å; A519-L523 VanDerWaalsContact O-CB 3.28Å; A519-L523 WeakPolarHBondContact O-CB 3.37Å; A519-L523 WeakPolarHBondContact O-CG 3.28Å; A519-L523 PolarHBondContact O-N 2.66Å; L523-E525 VanDerWaalsContact C-N 3.3Å; L523-E525 PolarHBondContact O-N 3.06Å; L523-L526 HydrophobicContact CD2-CD2 4.24Å; L523-L526 PolarHBondContact O-N 3.15Å; L523-P527 VanDerWaalsContact O-CD 3.31Å; L523-P527 WeakPolarHBondContact O-CD 3.4Å
524	A	86.7	Confident	89.3	Confident	54 Å²	54	41 Å²	41	45%	0.446	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-42.6	-172.3	0	0	0	0	0	113.4	K520	K520-A524 WeakPolarHBondContact O-CB 3.46Å; K520-A524 PolarHBondContact O-N 2.81Å
525	E	90.5	Very high	90	Very high	39 Å²	39	40.4 Å²	40.4	18%	0.182	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	-18	-173.7	-70.5	-178.3	-159.8	0	0	114.3	Q503 L523 Q528 Q529	Q503-E525 PolarHBondContact OE1-OE1 3.15Å; L523-E525 VanDerWaalsContact C-N 3.3Å; L523-E525 PolarHBondContact O-N 3.06Å; E525-Q528 WeakPolarHBondContact O-CB 3.32Å; E525-Q528 PolarHBondContact O-N 3.18Å; E525-Q529 HydrophobicContact CB-CG 4.4Å; E525-Q529 WeakPolarHBondContact O-CG 3.43Å; E525-Q529 PolarHBondContact O-N 2.83Å; E525-Q529 PolarHBondContact OE2-NE2 2.9Å; E525-Q529 VanDerWaalsContact OE2-NE2 3.14Å
526	L	94.5	Very high	91	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.016	19%	0.194	C	C	.	.	H	α-helix	trans	-58	-44.4	-172.4	-177.3	60.4	0	0	0	112.8	F84 L305 I348 Y435 T437 L523 Q528 Q529 V530	F84-L526 HydrophobicContact CE1-CB 4.06Å; F84-L526 HydrophobicContact CE1-CD2 3.96Å; F84-L526 HydrophobicContact CE1-CG 4.3Å; F84-L526 HydrophobicContact CZ-CD2 3.75Å; F84-L526 HydrophobicContact CZ-CG 4.35Å; L305-L526 HydrophobicContact CD1-CD2 4.48Å; I348-L526 HydrophobicContact CD1-CD2 4.21Å; Y435-L526 HydrophobicContact CE1-CD1 4.16Å; T437-L526 HydrophobicContact CG2-CD1 4.5Å; T437-L526 HydrophobicContact CG2-CD2 4.14Å; L523-L526 HydrophobicContact CD2-CD2 4.24Å; L523-L526 PolarHBondContact O-N 3.15Å; L526-Q528 VanDerWaalsContact C-N 3.28Å; L526-Q528 PolarHBondContact O-N 3.19Å; L526-Q529 PolarHBondContact O-N 2.89Å; L526-V530 HydrophobicContact CD1-CG2 4.14Å; L526-V530 HydrophobicContact CG-CG2 4.41Å; L526-V530 VanDerWaalsContact O-CG2 3.23Å; L526-V530 WeakPolarHBondContact O-CG2 3.19Å; L526-V530 PolarHBondContact O-N 3.48Å
527	P	94.9	Very high	91.8	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.026	19%	0.185	C	C	.	.	H	α-helix	trans	-56.6	-39.6	174.4	-28.4	37.7	0	0	0	113.9	F84 F295 L523 T531	F84-P527 HydrophobicContact CB-CG 4.04Å; F84-P527 HydrophobicContact CD1-CG 3.42Å; F84-P527 VanDerWaalsContact CD1-CG 3.42Å; F84-P527 HydrophobicContact CE1-CG 4.04Å; F84-P527 HydrophobicContact CG-CG 3.8Å; F295-P527 HydrophobicContact CB-CB 3.94Å; F295-P527 HydrophobicContact CD1-CB 4.01Å; F295-P527 HydrophobicContact CD1-CG 4.3Å; F295-P527 HydrophobicContact CD2-CB 3.91Å; F295-P527 HydrophobicContact CE1-CB 4.5Å; F295-P527 HydrophobicContact CE1-CG 4.38Å; F295-P527 HydrophobicContact CE2-CB 4.41Å; F295-P527 HydrophobicContact CG-CB 3.67Å; F295-P527 HydrophobicContact CG-CG 4.39Å; L523-P527 VanDerWaalsContact O-CD 3.31Å; L523-P527 WeakPolarHBondContact O-CD 3.4Å; P527-T531 WeakPolarHBondContact O-CG2 3.33Å; P527-T531 PolarHBondContact O-N 2.83Å; P527-T531 PolarHBondContact O-OG1 3Å
528	Q	93.4	Very high	92.2	Very high	131 Å²	131	41.3 Å²	41.3	61%	0.612	21%	0.207	S	C	*	.	H	α-helix	trans	-70.4	-44	178.5	-177	175.7	-12.7	0	0	111.2	E525 L526 V530 T531 Q532	E525-Q528 WeakPolarHBondContact O-CB 3.32Å; E525-Q528 PolarHBondContact O-N 3.18Å; L526-Q528 VanDerWaalsContact C-N 3.28Å; L526-Q528 PolarHBondContact O-N 3.19Å; Q528-V530 VanDerWaalsContact C-N 3.29Å; Q528-V530 PolarHBondContact O-N 3.25Å; Q528-T531 WeakPolarHBondContact CA-OG1 3.04Å; Q528-T531 PolarHBondContact O-N 3.3Å; Q528-T531 PolarHBondContact O-OG1 2.79Å; Q528-Q532 WeakPolarHBondContact O-CB 3.4Å; Q528-Q532 PolarHBondContact O-N 2.8Å
529	Q	95.8	Very high	92.4	Very high	7 Å²	7	42.1 Å²	42.1	3%	0.033	21%	0.212	C	C	.	.	H	α-helix	trans	-63.5	-35.5	178.5	-66	176.2	2.6	0	0	112	Y435 S465 E525 L526 Y533	Y435-Q529 PolarHBondContact OH-O 3.27Å; Y435-Q529 VanDerWaalsContact OH-O 3.12Å; S465-Q529 WeakPolarHBondContact OG-CB 3.26Å; S465-Q529 PolarHBondContact OG-OE1 2.89Å; E525-Q529 HydrophobicContact CB-CG 4.4Å; E525-Q529 WeakPolarHBondContact O-CG 3.43Å; E525-Q529 PolarHBondContact O-N 2.83Å; E525-Q529 PolarHBondContact OE2-NE2 2.9Å; E525-Q529 VanDerWaalsContact OE2-NE2 3.14Å; L526-Q529 PolarHBondContact O-N 2.89Å; Q529-Y533 PolarHBondContact O-N 2.9Å
530	V	96.3	Very high	92.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.1	-54.5	173.4	171.6	0	0	0	0	111.1	F295 L305 Y435 L526 Q528 Q532 Y533 F534	F295-V530 HydrophobicContact CD2-CB 4.06Å; F295-V530 HydrophobicContact CD2-CG1 3.99Å; F295-V530 HydrophobicContact CE2-CB 4.22Å; F295-V530 HydrophobicContact CE2-CG1 4.17Å; F295-V530 HydrophobicContact CE2-CG2 4.2Å; L305-V530 HydrophobicContact CD2-CG2 4.2Å; Y435-V530 HydrophobicContact CD1-CG2 3.64Å; Y435-V530 HydrophobicContact CD2-CB 4.4Å; Y435-V530 HydrophobicContact CD2-CG1 4.31Å; Y435-V530 HydrophobicContact CD2-CG2 4.05Å; Y435-V530 HydrophobicContact CE1-CG2 3.7Å; Y435-V530 HydrophobicContact CE2-CB 4.34Å; Y435-V530 HydrophobicContact CE2-CG2 4.1Å; Y435-V530 HydrophobicContact CG-CG2 3.81Å; L526-V530 HydrophobicContact CD1-CG2 4.14Å; L526-V530 HydrophobicContact CG-CG2 4.41Å; L526-V530 VanDerWaalsContact O-CG2 3.23Å; L526-V530 WeakPolarHBondContact O-CG2 3.19Å; L526-V530 PolarHBondContact O-N 3.48Å; Q528-V530 VanDerWaalsContact C-N 3.29Å; Q528-V530 PolarHBondContact O-N 3.25Å; V530-Q532 PolarHBondContact O-N 2.94Å; V530-Y533 PolarHBondContact O-N 2.92Å; V530-F534 HydrophobicContact CG1-CD2 3.81Å; V530-F534 HydrophobicContact CG1-CE2 3.64Å; V530-F534 WeakPolarHBondContact O-CD2 3.43Å; V530-F534 PolarHBondContact O-N 3.36Å
531	T	94.7	Very high	93	Very high	21 Å²	21	40.3 Å²	40.3	13%	0.129	21%	0.208	C	C	.	.	H	α-helix	trans	-63.7	-40.8	-178.1	50.3	0	0	0	0	111.9	F295 Y298 P527 Q528 Y533 F534 K535	F295-T531 VanDerWaalsContact CA-CG2 3.44Å; F295-T531 HydrophobicContact CB-CG2 3.79Å; Y298-T531 HydrophobicContact CD2-CG2 4.14Å; Y298-T531 HydrophobicContact CE2-CG2 4.2Å; P527-T531 WeakPolarHBondContact O-CG2 3.33Å; P527-T531 PolarHBondContact O-N 2.83Å; P527-T531 PolarHBondContact O-OG1 3Å; Q528-T531 WeakPolarHBondContact CA-OG1 3.04Å; Q528-T531 PolarHBondContact O-N 3.3Å; Q528-T531 PolarHBondContact O-OG1 2.79Å; T531-Y533 PolarHBondContact O-N 3.07Å; T531-F534 PolarHBondContact O-N 3.43Å; T531-K535 VanDerWaalsContact O-CB 3.27Å; T531-K535 WeakPolarHBondContact O-CB 3.36Å; T531-K535 VanDerWaalsContact O-CG 3.23Å; T531-K535 WeakPolarHBondContact O-CG 3.38Å; T531-K535 PolarHBondContact O-N 2.86Å
532	Q	94.9	Very high	93.1	Very high	61 Å²	61	40.5 Å²	40.5	29%	0.285	21%	0.205	S	C	.	.	H	α-helix	trans	-57.4	-47.9	176.6	-178.6	177.8	6.2	0	0	111.6	Q528 V530 Q536	Q528-Q532 WeakPolarHBondContact O-CB 3.4Å; Q528-Q532 PolarHBondContact O-N 2.8Å; V530-Q532 PolarHBondContact O-N 2.94Å; Q532-Q536 HydrophobicContact CG-CG 4.45Å; Q532-Q536 WeakPolarHBondContact O-CB 3.15Å; Q532-Q536 WeakPolarHBondContact O-CG 3.38Å; Q532-Q536 PolarHBondContact O-N 3.07Å
533	Y	96.5	Very high	93	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.016	23%	0.228	C	C	.	.	H	α-helix	trans	-61.6	-51.6	179.7	172.8	-93.7	0	0	0	112	Y435 L462 P463 Q529 V530 T531 K535 Q536 R537 L539	Y435-Y533 HydrophobicContact CD2-CD1 4.37Å; Y435-Y533 HydrophobicContact CE2-CD1 4.18Å; Y435-Y533 HydrophobicContact CE2-CG 4.12Å; L462-Y533 WeakPolarHBondContact O-CD2 3.38Å; L462-Y533 WeakPolarHBondContact O-CE2 3.42Å; P463-Y533 HydrophobicContact CB-CD1 3.88Å; P463-Y533 HydrophobicContact CB-CE1 3.43Å; P463-Y533 VanDerWaalsContact CB-CE1 3.43Å; P463-Y533 HydrophobicContact CB-CE2 4.32Å; P463-Y533 WeakPolarHBondContact CD-OH 3.44Å; P463-Y533 HydrophobicContact CG-CE1 4.25Å; Q529-Y533 PolarHBondContact O-N 2.9Å; V530-Y533 PolarHBondContact O-N 2.92Å; T531-Y533 PolarHBondContact O-N 3.07Å; Y533-K535 PolarHBondContact O-N 2.9Å; Y533-Q536 PolarHBondContact O-N 3.27Å; Y533-R537 HydrophobicContact CE1-CG 4.22Å; Y533-R537 HydrophobicContact CE2-CG 4.1Å; Y533-R537 WeakPolarHBondContact O-CG 3.47Å; Y533-R537 PolarHBondContact O-N 3Å; Y533-R537 VanDerWaalsContact O-N 3.11Å; Y533-R537 PolarHBondContact OH-NH1 2.74Å; Y533-L539 HydrophobicContact CE1-CD1 4.45Å
534	F	95.9	Very high	92.4	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-67.2	-36.9	-176.7	-67.7	-47.8	0	0	0	112.3	Y298 A432 Y435 V530 T531 R537 N538 L539	Y298-F534 AromaticContact CD1-CD2 3.94Å; Y298-F534 HydrophobicContact CD1-CD2 3.94Å; Y298-F534 HydrophobicContact CD1-CG 4.43Å; Y298-F534 HydrophobicContact CD2-CD2 4.05Å; Y298-F534 HydrophobicContact CE1-CB 3.74Å; Y298-F534 HydrophobicContact CE1-CD2 4.01Å; Y298-F534 HydrophobicContact CE1-CG 4.08Å; Y298-F534 HydrophobicContact CE2-CB 3.92Å; Y298-F534 HydrophobicContact CE2-CD2 4.14Å; Y298-F534 AromaticContact CG-CD2 3.97Å; Y298-F534 HydrophobicContact CG-CD2 3.97Å; Y298-F534 VanDerWaalsContact OH-CB 3.3Å; Y298-F534 WeakPolarHBondContact OH-CB 3.5Å; A432-F534 HydrophobicContact CB-CB 4.39Å; A432-F534 HydrophobicContact CB-CD1 3.55Å; A432-F534 HydrophobicContact CB-CD2 3.71Å; A432-F534 HydrophobicContact CB-CE1 3.6Å; A432-F534 HydrophobicContact CB-CE2 3.74Å; A432-F534 HydrophobicContact CB-CG 3.64Å; A432-F534 HydrophobicContact CB-CZ 3.69Å; Y435-F534 HydrophobicContact CD2-CE2 4.13Å; Y435-F534 AromaticContact CD2-CZ 3.98Å; Y435-F534 HydrophobicContact CD2-CZ 3.98Å; V530-F534 HydrophobicContact CG1-CD2 3.81Å; V530-F534 HydrophobicContact CG1-CE2 3.64Å; V530-F534 WeakPolarHBondContact O-CD2 3.43Å; V530-F534 PolarHBondContact O-N 3.36Å; T531-F534 PolarHBondContact O-N 3.43Å; F534-R537 CarbonylContact O-C 3.41Å; F534-R537 PolarHBondContact O-N 2.65Å; F534-N538 PolarHBondContact O-N 3.01Å; F534-L539 HydrophobicContact CB-CB 4.43Å; F534-L539 HydrophobicContact CD1-CB 4.22Å; F534-L539 HydrophobicContact CD1-CD1 3.96Å; F534-L539 HydrophobicContact CE1-CD1 4.46Å; F534-L539 PolarHBondContact O-N 3.04Å
535	K	92.1	Very high	91.6	Very high	73 Å²	73	47.8 Å²	47.8	32%	0.317	25%	0.248	S	C	.	.	H	α-helix	trans	-64.7	-45.4	173.5	-72	-177.9	-175.6	-169.5	0	112.2	D292 Y293 T531 Y533 R537 N538	D292-K535 WeakPolarHBondContact OD1-CE 3.4Å; D292-K535 IonicContact OD1-NZ 3.87Å; D292-K535 PolarHBondContact OD1-NZ 3.3Å; D292-K535 IonicContact OD2-NZ 2.73Å; D292-K535 PolarHBondContact OD2-NZ 2.57Å; Y293-K535 WeakPolarHBondContact O-CE 3.5Å; Y293-K535 PolarHBondContact O-NZ 3.18Å; T531-K535 VanDerWaalsContact O-CB 3.27Å; T531-K535 WeakPolarHBondContact O-CB 3.36Å; T531-K535 VanDerWaalsContact O-CG 3.23Å; T531-K535 WeakPolarHBondContact O-CG 3.38Å; T531-K535 PolarHBondContact O-N 2.86Å; Y533-K535 PolarHBondContact O-N 2.9Å; K535-R537 PolarHBondContact O-N 3.43Å; K535-N538 PolarHBondContact O-N 3.42Å
536	Q	92.5	Very high	90.2	Very high	91 Å²	91	51.8 Å²	51.8	43%	0.425	28%	0.277	S	S	.	.	H	α-helix	trans	-58.5	-31.5	175.6	-77.8	177.9	-6.2	0	0	112.4	Q532 Y533	Q532-Q536 HydrophobicContact CG-CG 4.45Å; Q532-Q536 WeakPolarHBondContact O-CB 3.15Å; Q532-Q536 WeakPolarHBondContact O-CG 3.38Å; Q532-Q536 PolarHBondContact O-N 3.07Å; Y533-Q536 PolarHBondContact O-N 3.27Å
537	R	92.5	Very high	87.9	Confident	98 Å²	98	63 Å²	63	37%	0.37	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-4.4	176.3	-65.4	-63	-165	92.6	5.2	114.4	K461 Y533 F534 K535 L539	K461-R537 PolarHBondContact O-NH2 3.3Å; Y533-R537 HydrophobicContact CE1-CG 4.22Å; Y533-R537 HydrophobicContact CE2-CG 4.1Å; Y533-R537 WeakPolarHBondContact O-CG 3.47Å; Y533-R537 PolarHBondContact O-N 3Å; Y533-R537 VanDerWaalsContact O-N 3.11Å; Y533-R537 PolarHBondContact OH-NH1 2.74Å; F534-R537 CarbonylContact O-C 3.41Å; F534-R537 PolarHBondContact O-N 2.65Å; K535-R537 PolarHBondContact O-N 3.43Å; R537-L539 HydrophobicContact CB-CD1 3.73Å; R537-L539 HydrophobicContact CB-CG 3.67Å; R537-L539 HydrophobicContact CG-CD1 4.38Å; R537-L539 PolarHBondContact O-N 3.23Å
538	N	91.7	Very high	87.6	Confident	147 Å²	147	66 Å²	66	79%	0.786	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	38.3	-171.2	-57.7	-70.9	0	0	0	113.2	F534 K535	F534-N538 PolarHBondContact O-N 3.01Å; K535-N538 PolarHBondContact O-N 3.42Å
539	L	93	Very high	87.3	Confident	24 Å²	24	62.5 Å²	62.5	13%	0.126	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-90	122.1	179.6	-66.6	173.8	0	0	0	110.2	Y298 E430 A432 Y533 F534 R537	Y298-L539 WeakPolarHBondContact CE1-O 3.45Å; Y298-L539 PolarHBondContact OH-O 3.43Å; Y298-L539 VanDerWaalsContact OH-O 3.05Å; E430-L539 WeakPolarHBondContact O-CD2 3.26Å; A432-L539 HydrophobicContact CB-CB 4.47Å; Y533-L539 HydrophobicContact CE1-CD1 4.45Å; F534-L539 HydrophobicContact CB-CB 4.43Å; F534-L539 HydrophobicContact CD1-CB 4.22Å; F534-L539 HydrophobicContact CD1-CD1 3.96Å; F534-L539 HydrophobicContact CE1-CD1 4.46Å; F534-L539 PolarHBondContact O-N 3.04Å; R537-L539 HydrophobicContact CB-CD1 3.73Å; R537-L539 HydrophobicContact CB-CG 3.67Å; R537-L539 HydrophobicContact CG-CD1 4.38Å; R537-L539 PolarHBondContact O-N 3.23Å
540	P	93.6	Very high	86.8	Confident	45 Å²	45	65.6 Å²	65.6	29%	0.292	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-78.3	161.7	173.3	33.1	-34.7	0	0	0	111.3	Y293 A432	Y293-P540 HydrophobicContact CE2-CB 3.92Å; A432-P540 PolarHBondContact N-O 2.94Å
541	P	93.1	Very high	86.2	Confident	1 Å²	1	69.5 Å²	69.5	1%	0.006	37%	0.367	C	S	.	.	B	Isolated β-bridge	trans	-56.1	155.1	168.4	-21.2	31.2	0	0	0	112.1	Y293 D297 Y298 N543	Y293-P541 HydrophobicContact CD1-CG 3.62Å; Y293-P541 HydrophobicContact CD2-CG 4.35Å; Y293-P541 HydrophobicContact CE1-CG 3.86Å; Y293-P541 HydrophobicContact CG-CG 3.89Å; D297-P541 HydrophobicContact CB-CG 4.33Å; Y298-P541 HydrophobicContact CD1-CB 4.21Å; Y298-P541 HydrophobicContact CD1-CG 3.82Å; Y298-P541 HydrophobicContact CE1-CG 4.02Å; P541-N543 VanDerWaalsContact C-N 3.34Å; P541-N543 PolarHBondContact O-N 2.99Å
542	I	91.6	Very high	85.7	Confident	44 Å²	44	72.5 Å²	72.5	23%	0.226	38%	0.382	C	S	.	.	S	Bend	trans	-58.7	-49.3	179.8	-61.4	160.3	0	0	0	110.7	G301 G302 K431 A433	G301-I542 WeakPolarHBondContact O-CB 3.3Å; G302-I542 WeakPolarHBondContact O-CD1 3.16Å; K431-I542 HydrophobicContact CB-CG1 4.18Å; K431-I542 HydrophobicContact CD-CB 4.46Å; K431-I542 HydrophobicContact CD-CG2 4.42Å; K431-I542 WeakPolarHBondContact CD-O 3.15Å; K431-I542 PolarHBondContact NZ-O 3.11Å; A433-I542 VanDerWaalsContact CA-CD1 3.46Å; A433-I542 HydrophobicContact CB-CD1 3.55Å; A433-I542 HydrophobicContact CB-CG1 3.95Å
543	N	86.5	Confident	85.1	Confident	91 Å²	91	73.3 Å²	73.3	49%	0.487	39%	0.389	S	S	.	.	S	Bend	trans	-122.8	79.6	-178.8	-57.4	-61.3	0	0	0	110	K124 G301 P541	K124-N543 PolarHBondContact NZ-O 3.13Å; G301-N543 WeakPolarHBondContact O-CB 3.34Å; G301-N543 PolarHBondContact O-N 2.92Å; G301-N543 PolarHBondContact O-ND2 3.11Å; G301-N543 VanDerWaalsContact O-ND2 3.17Å; P541-N543 VanDerWaalsContact C-N 3.34Å; P541-N543 PolarHBondContact O-N 2.99Å
544	P	79.6	Confident	84.3	Confident	65 Å²	65	78.2 Å²	78.2	42%	0.422	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-56.7	151.4	179.3	26	-33.7	0	0	0	110.5
545	A	70.1	Confident	83.4	Confident	53 Å²	53	84.1 Å²	84.1	44%	0.438	45%	0.447	S	S	.	.	P	Polyproline II helix	trans	-57.5	146.3	170	0	0	0	0	0	109.8	E547	A545-E547 PolarHBondContact O-N 3.33Å
546	P	60.7	Low	82.6	Confident	123 Å²	123	85 Å²	85	80%	0.799	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-56.5	136.4	171	-17.3	29.5	0	0	0	110.1
547	E	46.9	Very low	81.8	Confident	238 Å²	238	84.5 Å²	84.5	100%	1.112	46%	0.46	S	S	*	.			trans	-66.9	0	175.5	-70.4	-172.2	159.3	0	0	113.6	A545	A545-E547 PolarHBondContact O-N 3.33Å

Retrieved 547 of 547 residues in 535.6 ms (Link to these results)

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