A0A077Z2G3_TRITR Loading...

Crossover junction endonuclease MUS81

Interacts with EME1 to form a DNA structure-specific endonuclease with substrate preference for branched DNA structures with a 5'-end at the branch nick. Typical substrates include 3'-flap structures, D-loops, replication forks and nicked Holliday junctions. May be required in mitosis for the processing of stalled or collapsed replication fork intermediates. May be required in meiosis for the repair of meiosis-specific double strand breaks subsequent to single-end invasion (SEI).

AlphaFold DB , UniProt , Accession A0A077Z2G3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 689 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	30.8	Very low	32	Very low	240 Å²	240	165.1 Å²	165.1	100%	1.182	86%	0.863	S	S	*	*				0	144.2	0	-74.9	176	103.8	0	0	107.8
2	V	34.7	Very low	32.6	Very low	145 Å²	145	161.4 Å²	161.4	88%	0.879	86%	0.861	S	S	*	*			trans	80.9	102.6	-179.3	-162.1	0	0	0	0	115.2
3	K	30.6	Very low	33	Very low	198 Å²	198	160.1 Å²	160.1	86%	0.861	85%	0.854	S	S	*	*			trans	-75.7	161.7	167.3	-71.1	176	173.7	177	0	110.3
4	P	29.9	Very low	32.8	Very low	114 Å²	114	155.4 Å²	155.4	74%	0.74	84%	0.84	S	S	*	*			trans	-132.3	123	132.3	27	-9.8	0	0	0	110.9
5	E	32	Very low	33.1	Very low	178 Å²	178	152.8 Å²	152.8	83%	0.832	83%	0.832	S	S	*	*				79.4	107.1	99.9	-75.7	-172.6	169.5	0	0	113.1
6	V	29.9	Very low	33.1	Very low	124 Å²	124	156.1 Å²	156.1	75%	0.752	83%	0.829	S	S	*	*			trans	-96.7	130.3	179.5	174.4	0	0	0	0	107.9
7	Y	31.5	Very low	33	Very low	216 Å²	216	155.3 Å²	155.3	85%	0.847	82%	0.823	S	S	*	*			trans	-119.1	127.5	156.2	-87.3	-83	0	0	0	108.5
8	D	28.6	Very low	32.7	Very low	153 Å²	153	155.4 Å²	155.4	82%	0.818	82%	0.818	S	S	*	*			trans	-63.6	135.7	-175.2	-75.2	-52.1	0	0	0	113.2
9	V	34.3	Very low	32.4	Very low	145 Å²	145	153.4 Å²	153.4	88%	0.879	81%	0.812	S	S	*	*			trans	-129	125.3	160.3	-177.8	0	0	0	0	108.9
10	E	36.6	Very low	32.3	Very low	181 Å²	181	150.2 Å²	150.2	85%	0.846	80%	0.799	S	S	*	*			trans	-61.5	156.7	-173.9	-62.6	175.2	140.4	0	0	114.6
11	S	32.9	Very low	32.2	Very low	122 Å²	122	147.2 Å²	147.2	85%	0.853	79%	0.789	S	S	*	*			trans	-50.8	134.2	-176.2	59.6	0	0	0	0	115.8
12	S	39.7	Very low	32.9	Very low	121 Å²	121	142.3 Å²	142.3	85%	0.846	77%	0.768	S	S	*	*			trans	-148.5	154.4	155.8	66.4	0	0	0	0	112.5
13	D	37.6	Very low	33.9	Very low	144 Å²	144	144.4 Å²	144.4	77%	0.77	76%	0.76	S	S	*	*			trans	-54.8	143.1	-158.8	-80.6	-53.6	0	0	0	117.9	T15	D13-T15 PolarHBondContact O-N 3.1Å
14	S	30.5	Very low	35.9	Very low	94 Å²	94	138.7 Å²	138.7	66%	0.657	74%	0.738	S	S	*	*			trans	-62.8	92.4	169.2	-173.2	0	0	0	0	111.3
15	T	36.7	Very low	38.6	Very low	117 Å²	117	135 Å²	135	72%	0.718	71%	0.71	S	S	*	*			trans	-93.6	114.1	163.9	37.3	0	0	0	0	108.8	D13 I17	D13-T15 PolarHBondContact O-N 3.1Å; T15-I17 PolarHBondContact O-N 3.45Å
16	R	33.3	Very low	41.2	Very low	206 Å²	206	127.1 Å²	127.1	78%	0.777	68%	0.675	S	S	*	*			trans	-66.7	104.3	169.7	-167.1	178.4	-169.5	177.5	2	107.2	Q18	R16-Q18 PolarHBondContact O-N 3.16Å
17	I	31.9	Very low	44.1	Very low	142 Å²	142	121.7 Å²	121.7	73%	0.728	64%	0.641	S	S	*	*			trans	-60.4	101.6	171.6	-59.7	171.7	0	0	0	106.9	T15 V19	T15-I17 PolarHBondContact O-N 3.45Å; I17-V19 VanDerWaalsContact C-N 3.29Å; I17-V19 HydrophobicContact CG2-CG2 3.95Å; I17-V19 PolarHBondContact O-N 3.11Å
18	Q	27.9	Very low	46.8	Very low	158 Å²	158	112.2 Å²	112.2	74%	0.738	61%	0.605	S	S	*	*			trans	-69.4	96.7	161.1	-89.7	-169.2	-29.4	0	0	106.3	R16 T20	R16-Q18 PolarHBondContact O-N 3.16Å; Q18-T20 PolarHBondContact O-N 3.31Å
19	V	26.3	Very low	49.8	Very low	117 Å²	117	108.8 Å²	108.8	71%	0.709	58%	0.583	S	S	*	*			trans	-66	79.3	158.2	-174.5	0	0	0	0	106.2	I17 C21	I17-V19 VanDerWaalsContact C-N 3.29Å; I17-V19 HydrophobicContact CG2-CG2 3.95Å; I17-V19 PolarHBondContact O-N 3.11Å; V19-C21 PolarHBondContact O-N 3.3Å
20	T	29.7	Very low	52.6	Low	89 Å²	89	101.9 Å²	101.9	55%	0.546	54%	0.541	S	S	.	.			trans	-68.6	91	153.8	43.9	0	0	0	0	103.7	Q18 N22	Q18-T20 PolarHBondContact O-N 3.31Å; T20-N22 PolarHBondContact O-N 3.33Å
21	C	30.5	Very low	55.3	Low	88 Å²	88	93.2 Å²	93.2	60%	0.595	50%	0.501	S	S	*	.			trans	-54.6	103.2	157.4	24.7	0	0	0	0	104	V19 R23	V19-C21 PolarHBondContact O-N 3.3Å; C21-R23 PolarHBondContact O-N 2.95Å
22	N	46.4	Very low	58.2	Low	136 Å²	136	89.3 Å²	89.3	73%	0.727	47%	0.469	S	S	*	.			trans	-68.9	65.1	-178.9	-86.8	-25.2	0	0	0	107.5	T20 I24	T20-N22 PolarHBondContact O-N 3.33Å; N22-I24 WeakPolarHBondContact O-CG1 3.26Å; N22-I24 PolarHBondContact O-N 2.71Å
23	R	55.8	Low	60.7	Low	189 Å²	189	85.3 Å²	85.3	71%	0.713	44%	0.437	S	S	*	.			trans	-60.5	106	169.6	-72.8	-174.1	176.6	175.5	-0.6	105.1	C21 F25	C21-R23 PolarHBondContact O-N 2.95Å; R23-F25 HydrophobicContact CB-CE1 3.91Å; R23-F25 HydrophobicContact CB-CE2 3.96Å; R23-F25 HydrophobicContact CB-CZ 3.51Å; R23-F25 HydrophobicContact CG-CZ 4.45Å; R23-F25 WeakPolarHBondContact O-CD2 3.15Å; R23-F25 PolarHBondContact O-N 2.75Å
24	I	71.8	Confident	63.5	Low	79 Å²	79	78.6 Å²	78.6	41%	0.405	40%	0.401	S	S	.	.			trans	-78.4	119.3	176.6	-55.3	-177.4	0	0	0	105.3	N22 K29 L104	N22-I24 WeakPolarHBondContact O-CG1 3.26Å; N22-I24 PolarHBondContact O-N 2.71Å; I24-K29 HydrophobicContact CG2-CD 4.34Å; I24-K29 HydrophobicContact CG2-CG 3.55Å; I24-L104 HydrophobicContact CB-CD2 4.01Å; I24-L104 HydrophobicContact CG2-CD2 3.71Å; I24-L104 WeakPolarHBondContact O-CD2 3.39Å
25	F	85.9	Confident	66.5	Low	36 Å²	36	74.1 Å²	74.1	16%	0.158	37%	0.369	C	S	.	.			trans	-102.7	123.8	175.7	-59.5	-61.5	0	0	0	108.8	R23 L27 N28 K29 E66	R23-F25 HydrophobicContact CB-CE1 3.91Å; R23-F25 HydrophobicContact CB-CE2 3.96Å; R23-F25 HydrophobicContact CB-CZ 3.51Å; R23-F25 HydrophobicContact CG-CZ 4.45Å; R23-F25 WeakPolarHBondContact O-CD2 3.15Å; R23-F25 PolarHBondContact O-N 2.75Å; F25-L27 PolarHBondContact O-N 2.64Å; F25-N28 HydrophobicContact CB-CB 3.95Å; F25-N28 PolarHBondContact O-N 3.05Å; F25-K29 PolarHBondContact O-N 3.19Å; F25-E66 HydrophobicContact CB-CB 4.2Å; F25-E66 HydrophobicContact CB-CG 4.03Å; F25-E66 HydrophobicContact CD1-CB 3.43Å; F25-E66 VanDerWaalsContact CD1-CB 3.43Å; F25-E66 HydrophobicContact CD1-CG 3.86Å; F25-E66 HydrophobicContact CD2-CB 4.37Å; F25-E66 HydrophobicContact CE1-CB 3.79Å; F25-E66 HydrophobicContact CG-CB 3.74Å; F25-E66 HydrophobicContact CG-CG 4.1Å; F25-E66 HydrophobicContact CZ-CB 4.41Å
26	P	86.9	Confident	69.1	Low	13 Å²	13	71.5 Å²	71.5	8%	0.084	35%	0.35	C	S	.	.	H	α-helix	trans	-52.9	-49.8	-173.2	-26.1	31.4	0	0	0	113.1	K29 L30 P102 L104 V107	P26-K29 PolarHBondContact O-N 3.04Å; P26-L30 PolarHBondContact O-N 2.97Å; P26-L30 VanDerWaalsContact O-N 3.08Å; P26-P102 HydrophobicContact CB-CB 4.2Å; P26-L104 HydrophobicContact CG-CD2 3.84Å; P26-L104 HydrophobicContact CG-CG 3.85Å; P26-V107 HydrophobicContact CB-CG2 3.92Å
27	L	90.8	Very high	71.9	Confident	10 Å²	10	64.1 Å²	64.1	5%	0.052	33%	0.325	C	S	.	.	H	α-helix	trans	-69.4	-38.3	-177.2	-167.6	65.1	0	0	0	112	F25 K29 L30 F31 L67 H68 L92 P102	F25-L27 PolarHBondContact O-N 2.64Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.44Å; L27-L30 PolarHBondContact O-N 3.07Å; L27-F31 HydrophobicContact CD1-CD1 4.19Å; L27-F31 HydrophobicContact CD1-CE1 3.6Å; L27-F31 HydrophobicContact CD1-CE2 4.49Å; L27-F31 HydrophobicContact CD1-CZ 3.76Å; L27-F31 HydrophobicContact CD2-CE1 4.43Å; L27-F31 HydrophobicContact CD2-CE2 3.97Å; L27-F31 HydrophobicContact CD2-CZ 3.75Å; L27-F31 HydrophobicContact CG-CD1 4.34Å; L27-F31 HydrophobicContact CG-CD2 4.36Å; L27-F31 HydrophobicContact CG-CE1 3.9Å; L27-F31 HydrophobicContact CG-CE2 3.92Å; L27-F31 HydrophobicContact CG-CZ 3.66Å; L27-F31 WeakPolarHBondContact O-CG 3.06Å; L27-F31 PolarHBondContact O-N 3.4Å; L27-L67 WeakPolarHBondContact CB-O 3.45Å; L27-L67 HydrophobicContact CD2-CB 4.29Å; L27-L67 VanDerWaalsContact CD2-O 3.25Å; L27-L67 WeakPolarHBondContact CD2-O 3.21Å; L27-H68 VanDerWaalsContact CD2-C 3.46Å; L27-L92 HydrophobicContact CD1-CD1 3.53Å; L27-L92 HydrophobicContact CD1-CD2 4.03Å; L27-L92 HydrophobicContact CD1-CG 4.44Å; L27-P102 HydrophobicContact CD1-CG 4.26Å
28	N	89.5	Confident	74.8	Confident	17 Å²	17	57.9 Å²	57.9	9%	0.091	29%	0.293	C	S	.	.	H	α-helix	trans	-61.3	-40.7	175.8	-62.3	29.2	0	0	0	110.7	F25 F31 E32 S65 L67	F25-N28 HydrophobicContact CB-CB 3.95Å; F25-N28 PolarHBondContact O-N 3.05Å; N28-F31 PolarHBondContact O-N 2.88Å; N28-E32 VanDerWaalsContact O-CB 3.31Å; N28-E32 WeakPolarHBondContact O-CB 3.5Å; N28-E32 PolarHBondContact O-N 2.94Å; N28-S65 PolarHBondContact ND2-O 3.21Å; N28-L67 WeakPolarHBondContact OD1-CB 3.38Å; N28-L67 WeakPolarHBondContact OD1-CG 3.42Å; N28-L67 PolarHBondContact OD1-N 2.97Å
29	K	90.6	Very high	77.7	Confident	80 Å²	80	50.5 Å²	50.5	35%	0.348	26%	0.259	S	S	.	.	H	α-helix	trans	-65.4	-41.5	176.6	-81.5	-66.8	179.6	-165.1	0	112.7	I24 F25 P26 L27 E32 H33 V107 L111	I24-K29 HydrophobicContact CG2-CD 4.34Å; I24-K29 HydrophobicContact CG2-CG 3.55Å; F25-K29 PolarHBondContact O-N 3.19Å; P26-K29 PolarHBondContact O-N 3.04Å; L27-K29 VanDerWaalsContact C-N 3.29Å; L27-K29 PolarHBondContact O-N 3.44Å; K29-E32 IonicContact NZ-OE2 3.11Å; K29-E32 PolarHBondContact NZ-OE2 2.89Å; K29-E32 PolarHBondContact O-N 3.26Å; K29-H33 WeakPolarHBondContact O-CB 3.18Å; K29-H33 PolarHBondContact O-N 3.25Å; K29-V107 HydrophobicContact CB-CG1 4.15Å; K29-L111 HydrophobicContact CB-CD1 4.45Å
30	L	92.9	Very high	80.7	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-48.4	173.5	-74.1	177.9	0	0	0	111.6	P26 L27 E32 H33 W34 F95 P102 V107 Y110	P26-L30 PolarHBondContact O-N 2.97Å; P26-L30 VanDerWaalsContact O-N 3.08Å; L27-L30 PolarHBondContact O-N 3.07Å; L30-E32 VanDerWaalsContact C-N 3.31Å; L30-E32 PolarHBondContact O-N 3.5Å; L30-H33 PolarHBondContact O-N 3.17Å; L30-W34 HydrophobicContact CB-CD2 4.46Å; L30-W34 HydrophobicContact CB-CE3 4.34Å; L30-W34 HydrophobicContact CB-CH2 3.93Å; L30-W34 HydrophobicContact CB-CZ2 4.08Å; L30-W34 HydrophobicContact CB-CZ3 4.09Å; L30-W34 HydrophobicContact CD1-CH2 3.89Å; L30-W34 HydrophobicContact CD1-CZ2 4.17Å; L30-W34 HydrophobicContact CD2-CH2 4.43Å; L30-W34 HydrophobicContact CD2-CZ2 3.91Å; L30-W34 HydrophobicContact CG-CH2 4.32Å; L30-W34 HydrophobicContact CG-CZ2 4.29Å; L30-W34 WeakPolarHBondContact O-CB 3.47Å; L30-W34 VanDerWaalsContact O-CG 3.29Å; L30-W34 PolarHBondContact O-N 3.5Å; L30-F95 HydrophobicContact CD1-CD1 4.09Å; L30-F95 HydrophobicContact CD1-CD2 4.24Å; L30-F95 HydrophobicContact CD1-CE1 4.04Å; L30-F95 HydrophobicContact CD1-CE2 4.17Å; L30-F95 HydrophobicContact CD1-CG 4.2Å; L30-F95 HydrophobicContact CD1-CZ 4.08Å; L30-F95 HydrophobicContact CD2-CD2 4Å; L30-F95 HydrophobicContact CD2-CE2 3.73Å; L30-F95 HydrophobicContact CD2-CZ 4.28Å; L30-P102 HydrophobicContact CD1-CB 3.95Å; L30-P102 HydrophobicContact CD1-CG 3.99Å; L30-V107 HydrophobicContact CD1-CG2 3.66Å; L30-V107 HydrophobicContact CD2-CB 4.39Å; L30-V107 HydrophobicContact CD2-CG1 3.82Å; L30-V107 HydrophobicContact CD2-CG2 3.98Å; L30-V107 HydrophobicContact CG-CB 4.36Å; L30-V107 HydrophobicContact CG-CG1 3.83Å; L30-V107 HydrophobicContact CG-CG2 3.62Å; L30-Y110 HydrophobicContact CD2-CD1 3.81Å; L30-Y110 HydrophobicContact CD2-CE1 4.07Å
31	F	94.2	Very high	83.5	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.3	-38.2	178.3	-71.1	-2.4	0	0	0	111.8	L27 N28 W34 L35 L60 L67 T70 A73 L88 L92	L27-F31 HydrophobicContact CD1-CD1 4.19Å; L27-F31 HydrophobicContact CD1-CE1 3.6Å; L27-F31 HydrophobicContact CD1-CE2 4.49Å; L27-F31 HydrophobicContact CD1-CZ 3.76Å; L27-F31 HydrophobicContact CD2-CE1 4.43Å; L27-F31 HydrophobicContact CD2-CE2 3.97Å; L27-F31 HydrophobicContact CD2-CZ 3.75Å; L27-F31 HydrophobicContact CG-CD1 4.34Å; L27-F31 HydrophobicContact CG-CD2 4.36Å; L27-F31 HydrophobicContact CG-CE1 3.9Å; L27-F31 HydrophobicContact CG-CE2 3.92Å; L27-F31 HydrophobicContact CG-CZ 3.66Å; L27-F31 WeakPolarHBondContact O-CG 3.06Å; L27-F31 PolarHBondContact O-N 3.4Å; N28-F31 PolarHBondContact O-N 2.88Å; F31-W34 AromaticContact CD1-CE3 3.83Å; F31-W34 HydrophobicContact CD1-CE3 3.83Å; F31-W34 AromaticContact CD1-CZ3 3.82Å; F31-W34 HydrophobicContact CD1-CZ3 3.82Å; F31-W34 HydrophobicContact CE1-CE3 4.3Å; F31-W34 AromaticContact CE1-CZ3 3.9Å; F31-W34 HydrophobicContact CE1-CZ3 3.9Å; F31-L35 VanDerWaalsContact O-CB 3.26Å; F31-L35 WeakPolarHBondContact O-CB 3.39Å; F31-L35 WeakPolarHBondContact O-CG 3.41Å; F31-L35 PolarHBondContact O-N 3.3Å; F31-L60 HydrophobicContact CB-CD2 3.62Å; F31-L67 HydrophobicContact CD2-CD1 3.9Å; F31-L67 HydrophobicContact CE2-CD1 4.26Å; F31-T70 HydrophobicContact CE1-CG2 4.09Å; F31-T70 HydrophobicContact CE2-CG2 4.26Å; F31-T70 HydrophobicContact CZ-CG2 3.51Å; F31-A73 HydrophobicContact CE2-CB 4.19Å; F31-L88 HydrophobicContact CD1-CB 4.47Å; F31-L88 HydrophobicContact CD1-CD1 4.34Å; F31-L88 HydrophobicContact CD1-CD2 4.11Å; F31-L88 HydrophobicContact CD2-CD1 4.4Å; F31-L88 HydrophobicContact CE1-CB 4.23Å; F31-L88 HydrophobicContact CG-CD1 4.23Å; F31-L88 HydrophobicContact CG-CD2 4.49Å; F31-L92 HydrophobicContact CE1-CD2 4.48Å
32	E	92.7	Very high	86.2	Confident	39 Å²	39	43 Å²	43	18%	0.182	21%	0.212	C	C	.	.	H	α-helix	trans	-59.7	-51.2	174.6	-167.4	-174.1	176.1	0	0	110.4	N28 K29 L30 L35 I36 L57 L60 R61	N28-E32 VanDerWaalsContact O-CB 3.31Å; N28-E32 WeakPolarHBondContact O-CB 3.5Å; N28-E32 PolarHBondContact O-N 2.94Å; K29-E32 IonicContact NZ-OE2 3.11Å; K29-E32 PolarHBondContact NZ-OE2 2.89Å; K29-E32 PolarHBondContact O-N 3.26Å; L30-E32 VanDerWaalsContact C-N 3.31Å; L30-E32 PolarHBondContact O-N 3.5Å; E32-L35 PolarHBondContact O-N 3.15Å; E32-I36 HydrophobicContact CG-CD1 4.21Å; E32-I36 WeakPolarHBondContact O-CD1 3.44Å; E32-I36 VanDerWaalsContact O-CG1 3.27Å; E32-I36 WeakPolarHBondContact O-CG1 3.49Å; E32-I36 PolarHBondContact O-N 3.45Å; E32-I36 VanDerWaalsContact O-N 3.08Å; E32-L57 HydrophobicContact CB-CD1 4.45Å; E32-L57 HydrophobicContact CG-CD1 3.62Å; E32-L60 HydrophobicContact CB-CD2 4.09Å; E32-R61 IonicContact OE1-CZ 3.31Å; E32-R61 IonicContact OE1-NE 3.23Å; E32-R61 PolarHBondContact OE1-NE 3.19Å; E32-R61 IonicContact OE1-NH2 2.7Å; E32-R61 PolarHBondContact OE1-NH2 2.92Å; E32-R61 VanDerWaalsContact OE1-NH2 3.09Å
33	H	93.2	Very high	88.1	Confident	38 Å²	38	42.6 Å²	42.6	18%	0.176	21%	0.206	C	C	.	.	H	α-helix	trans	-60	-49.7	178.6	-176.9	-97.6	0	0	0	112.3	K29 L30 L35 I36 E37 L111	K29-H33 WeakPolarHBondContact O-CB 3.18Å; K29-H33 PolarHBondContact O-N 3.25Å; L30-H33 PolarHBondContact O-N 3.17Å; H33-L35 VanDerWaalsContact C-N 3.35Å; H33-L35 PolarHBondContact O-N 3.27Å; H33-I36 WeakPolarHBondContact O-CB 3.33Å; H33-I36 PolarHBondContact O-N 3.28Å; H33-E37 IonicContact CE1-OE1 3.9Å; H33-E37 PolarHBondContact CE1-OE1 3.35Å; H33-E37 IonicContact CE1-OE2 3.62Å; H33-E37 IonicContact ND1-OE1 3.27Å; H33-E37 IonicContact ND1-OE2 3Å; H33-E37 IonicContact NE2-OE1 3.27Å; H33-E37 PolarHBondContact O-N 3Å; H33-L111 HydrophobicContact CB-CD2 3.53Å; H33-L111 WeakPolarHBondContact CD2-CD2 3.39Å
34	W	95.3	Very high	89.4	Confident	2 Å²	2	38 Å²	38	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-34.4	-179.3	-63.8	-27.6	0	0	0	112.9	L30 F31 I36 E37 L38 L88 R91 L92 F95 Y110	L30-W34 HydrophobicContact CB-CD2 4.46Å; L30-W34 HydrophobicContact CB-CE3 4.34Å; L30-W34 HydrophobicContact CB-CH2 3.93Å; L30-W34 HydrophobicContact CB-CZ2 4.08Å; L30-W34 HydrophobicContact CB-CZ3 4.09Å; L30-W34 HydrophobicContact CD1-CH2 3.89Å; L30-W34 HydrophobicContact CD1-CZ2 4.17Å; L30-W34 HydrophobicContact CD2-CH2 4.43Å; L30-W34 HydrophobicContact CD2-CZ2 3.91Å; L30-W34 HydrophobicContact CG-CH2 4.32Å; L30-W34 HydrophobicContact CG-CZ2 4.29Å; L30-W34 WeakPolarHBondContact O-CB 3.47Å; L30-W34 VanDerWaalsContact O-CG 3.29Å; L30-W34 PolarHBondContact O-N 3.5Å; F31-W34 AromaticContact CD1-CE3 3.83Å; F31-W34 HydrophobicContact CD1-CE3 3.83Å; F31-W34 AromaticContact CD1-CZ3 3.82Å; F31-W34 HydrophobicContact CD1-CZ3 3.82Å; F31-W34 HydrophobicContact CE1-CE3 4.3Å; F31-W34 AromaticContact CE1-CZ3 3.9Å; F31-W34 HydrophobicContact CE1-CZ3 3.9Å; W34-I36 VanDerWaalsContact C-N 3.34Å; W34-E37 PolarHBondContact O-N 3Å; W34-L38 VanDerWaalsContact O-CB 3.25Å; W34-L38 WeakPolarHBondContact O-CB 3.48Å; W34-L38 WeakPolarHBondContact O-CD1 3.25Å; W34-L38 WeakPolarHBondContact O-CG 3.41Å; W34-L38 PolarHBondContact O-N 3.15Å; W34-L88 HydrophobicContact CB-CD2 3.95Å; W34-L88 HydrophobicContact CE3-CD2 3.91Å; W34-R91 HydrophobicContact CD2-CB 3.86Å; W34-R91 HydrophobicContact CE3-CB 3.84Å; W34-R91 HydrophobicContact CG-CB 4.46Å; W34-R91 HydrophobicContact CH2-CB 4.21Å; W34-R91 HydrophobicContact CZ2-CB 4.2Å; W34-R91 HydrophobicContact CZ3-CB 4.02Å; W34-L92 HydrophobicContact CH2-CB 4.12Å; W34-L92 HydrophobicContact CH2-CD1 4.01Å; W34-L92 HydrophobicContact CZ3-CB 4Å; W34-L92 HydrophobicContact CZ3-CD1 4.28Å; W34-F95 HydrophobicContact CH2-CB 4.1Å; W34-F95 HydrophobicContact CZ2-CB 3.97Å; W34-F95 HydrophobicContact CZ2-CD2 4.22Å; W34-F95 HydrophobicContact CZ2-CG 4.31Å; W34-Y110 AromaticContact NE1-CE1 3.76Å; W34-Y110 AromaticContact NE1-CZ 3.91Å; W34-Y110 PolarHBondContact NE1-OH 3.01Å
35	L	94.1	Very high	90.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-67.6	-35	174.2	-75.9	172.2	0	0	0	112.1	F31 E32 H33 G39 F53 A56 L57 L60 F80 I84	F31-L35 VanDerWaalsContact O-CB 3.26Å; F31-L35 WeakPolarHBondContact O-CB 3.39Å; F31-L35 WeakPolarHBondContact O-CG 3.41Å; F31-L35 PolarHBondContact O-N 3.3Å; E32-L35 PolarHBondContact O-N 3.15Å; H33-L35 VanDerWaalsContact C-N 3.35Å; H33-L35 PolarHBondContact O-N 3.27Å; L35-G39 PolarHBondContact O-N 2.96Å; L35-F53 HydrophobicContact CD2-CD1 3.86Å; L35-A56 HydrophobicContact CD1-CB 4.21Å; L35-A56 HydrophobicContact CD2-CB 4.2Å; L35-L57 HydrophobicContact CB-CB 4.33Å; L35-L57 HydrophobicContact CB-CD1 4.18Å; L35-L60 HydrophobicContact CD1-CD2 3.96Å; L35-F80 HydrophobicContact CD1-CE1 4.38Å; L35-F80 HydrophobicContact CD1-CE2 4.4Å; L35-F80 HydrophobicContact CD1-CZ 3.73Å; L35-I84 HydrophobicContact CD2-CG2 3.81Å
36	I	91.1	Very high	89.7	Confident	62 Å²	62	41.9 Å²	41.9	32%	0.318	22%	0.218	S	C	.	.	H	α-helix	trans	-64.1	-49.5	172.8	-67.9	163.7	0	0	0	110	E32 H33 W34 G39 A40 L57	E32-I36 HydrophobicContact CG-CD1 4.21Å; E32-I36 WeakPolarHBondContact O-CD1 3.44Å; E32-I36 VanDerWaalsContact O-CG1 3.27Å; E32-I36 WeakPolarHBondContact O-CG1 3.49Å; E32-I36 PolarHBondContact O-N 3.45Å; E32-I36 VanDerWaalsContact O-N 3.08Å; H33-I36 WeakPolarHBondContact O-CB 3.33Å; H33-I36 PolarHBondContact O-N 3.28Å; W34-I36 VanDerWaalsContact C-N 3.34Å; I36-G39 PolarHBondContact O-N 2.89Å; I36-A40 WeakPolarHBondContact O-CB 3.32Å; I36-A40 PolarHBondContact O-N 2.82Å; I36-L57 HydrophobicContact CD1-CD1 4.47Å; I36-L57 HydrophobicContact CG1-CD1 4Å; I36-L57 HydrophobicContact CG1-CD2 3.68Å
37	E	92.4	Very high	89.5	Confident	51 Å²	51	46.7 Å²	46.7	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-48.3	177.6	-72.1	-177.6	153.8	0	0	112.2	H33 W34 G39 A40 E41 R91	H33-E37 IonicContact CE1-OE1 3.9Å; H33-E37 PolarHBondContact CE1-OE1 3.35Å; H33-E37 IonicContact CE1-OE2 3.62Å; H33-E37 IonicContact ND1-OE1 3.27Å; H33-E37 IonicContact ND1-OE2 3Å; H33-E37 IonicContact NE2-OE1 3.27Å; H33-E37 PolarHBondContact O-N 3Å; W34-E37 PolarHBondContact O-N 3Å; E37-G39 VanDerWaalsContact C-N 3.26Å; E37-G39 PolarHBondContact O-N 3.3Å; E37-A40 PolarHBondContact O-N 3.1Å; E37-E41 WeakPolarHBondContact O-CB 3.33Å; E37-E41 WeakPolarHBondContact O-CG 3.45Å; E37-E41 PolarHBondContact O-N 3.31Å; E37-R91 IonicContact OE2-CZ 2.89Å; E37-R91 IonicContact OE2-NH1 2.76Å; E37-R91 PolarHBondContact OE2-NH1 3.3Å
38	L	92.1	Very high	88.9	Confident	12 Å²	12	54.3 Å²	54.3	6%	0.063	27%	0.27	C	S	.	.	H	α-helix	trans	-62.3	-36.2	177.1	-73.4	168.8	0	0	0	111.7	W34 A42 F53 E87	W34-L38 VanDerWaalsContact O-CB 3.25Å; W34-L38 WeakPolarHBondContact O-CB 3.48Å; W34-L38 WeakPolarHBondContact O-CD1 3.25Å; W34-L38 WeakPolarHBondContact O-CG 3.41Å; W34-L38 PolarHBondContact O-N 3.15Å; L38-A42 WeakPolarHBondContact O-CB 3.44Å; L38-A42 PolarHBondContact O-N 2.79Å; L38-F53 HydrophobicContact CB-CD1 3.99Å; L38-F53 HydrophobicContact CB-CD2 4.02Å; L38-F53 HydrophobicContact CB-CE1 3.9Å; L38-F53 HydrophobicContact CB-CE2 3.93Å; L38-F53 HydrophobicContact CB-CG 4.06Å; L38-F53 HydrophobicContact CB-CZ 3.87Å; L38-F53 HydrophobicContact CD1-CD1 4.41Å; L38-F53 HydrophobicContact CD1-CE1 3.91Å; L38-F53 HydrophobicContact CD1-CZ 4.32Å; L38-F53 HydrophobicContact CD2-CZ 4.38Å; L38-F53 HydrophobicContact CG-CE1 4.41Å; L38-F53 HydrophobicContact CG-CZ 4.43Å; L38-F53 WeakPolarHBondContact O-CD2 3.2Å; L38-E87 HydrophobicContact CD1-CB 4.46Å; L38-E87 HydrophobicContact CD1-CG 3.67Å; L38-E87 HydrophobicContact CD2-CG 3.75Å; L38-E87 HydrophobicContact CG-CG 4.38Å
39	G	89.7	Confident	88.6	Confident	3 Å²	3	55.3 Å²	55.3	3%	0.031	28%	0.278	C	S	.	.	H	α-helix	trans	-61.9	-48.5	172.5	0	0	0	0	0	112.1	L35 I36 E37 A42 H43	L35-G39 PolarHBondContact O-N 2.96Å; I36-G39 PolarHBondContact O-N 2.89Å; E37-G39 VanDerWaalsContact C-N 3.26Å; E37-G39 PolarHBondContact O-N 3.3Å; G39-A42 PolarHBondContact O-N 3.1Å; G39-H43 VanDerWaalsContact O-CB 3.29Å; G39-H43 WeakPolarHBondContact O-CB 3.27Å; G39-H43 PolarHBondContact O-N 2.97Å
40	A	88.4	Confident	88.3	Confident	59 Å²	59	52.3 Å²	52.3	49%	0.488	27%	0.267	S	S	.	.	H	α-helix	trans	-67.2	-42.8	178.6	0	0	0	0	0	112.5	I36 E37 H43 S44	I36-A40 WeakPolarHBondContact O-CB 3.32Å; I36-A40 PolarHBondContact O-N 2.82Å; E37-A40 PolarHBondContact O-N 3.1Å; A40-H43 PolarHBondContact O-N 2.85Å; A40-S44 PolarHBondContact O-N 3.45Å
41	E	88.2	Confident	88	Confident	73 Å²	73	56.9 Å²	56.9	34%	0.341	29%	0.291	S	S	.	.	H	α-helix	trans	-62.1	-44.3	173	-79.2	-169.9	-126.9	0	0	111.8	E37 H43 S44 K45 R91	E37-E41 WeakPolarHBondContact O-CB 3.33Å; E37-E41 WeakPolarHBondContact O-CG 3.45Å; E37-E41 PolarHBondContact O-N 3.31Å; E41-H43 VanDerWaalsContact C-N 3.27Å; E41-H43 PolarHBondContact O-N 3.19Å; E41-S44 PolarHBondContact O-OG 3.33Å; E41-K45 VanDerWaalsContact O-CB 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.46Å; E41-K45 WeakPolarHBondContact O-CD 3.46Å; E41-K45 WeakPolarHBondContact O-CG 3.38Å; E41-K45 PolarHBondContact O-N 3.48Å; E41-K45 IonicContact OE2-NZ 3.68Å; E41-K45 PolarHBondContact OE2-NZ 3.08Å; E41-R91 IonicContact OE1-NH2 3.33Å; E41-R91 PolarHBondContact OE1-NH2 2.72Å; E41-R91 VanDerWaalsContact OE1-NH2 3.11Å
42	A	88.5	Confident	87.8	Confident	4 Å²	4	59.1 Å²	59.1	3%	0.033	31%	0.306	C	S	.	.	H	α-helix	trans	-64.7	-36.4	175.4	0	0	0	0	0	111	L38 G39 K45 E46 K47 S49 T50 F53	L38-A42 WeakPolarHBondContact O-CB 3.44Å; L38-A42 PolarHBondContact O-N 2.79Å; G39-A42 PolarHBondContact O-N 3.1Å; A42-K45 CarbonylContact O-C 3.48Å; A42-K45 PolarHBondContact O-N 2.87Å; A42-E46 PolarHBondContact O-N 3.34Å; A42-E46 VanDerWaalsContact O-N 3.09Å; A42-K47 HydrophobicContact CB-CB 4.15Å; A42-K47 PolarHBondContact O-N 3.26Å; A42-S49 WeakPolarHBondContact CB-OG 3.2Å; A42-T50 VanDerWaalsContact CB-OG1 3.3Å; A42-T50 WeakPolarHBondContact CB-OG1 3.28Å; A42-T50 PolarHBondContact O-OG1 3.44Å; A42-F53 HydrophobicContact CB-CD2 3.95Å; A42-F53 HydrophobicContact CB-CE2 3.97Å
43	H	85.9	Confident	87.7	Confident	128 Å²	128	58.4 Å²	58.4	59%	0.593	30%	0.303	S	S	*	.	H	α-helix	trans	-67.8	-47.6	177.9	-170.7	68.6	0	0	0	111.7	G39 A40 E41 K45 E46 T50	G39-H43 VanDerWaalsContact O-CB 3.29Å; G39-H43 WeakPolarHBondContact O-CB 3.27Å; G39-H43 PolarHBondContact O-N 2.97Å; A40-H43 PolarHBondContact O-N 2.85Å; E41-H43 VanDerWaalsContact C-N 3.27Å; E41-H43 PolarHBondContact O-N 3.19Å; H43-K45 VanDerWaalsContact C-N 3.26Å; H43-K45 PolarHBondContact O-N 2.85Å; H43-E46 WeakPolarHBondContact O-CA 3.46Å; H43-E46 PolarHBondContact O-N 3.14Å; H43-T50 WeakPolarHBondContact CA-OG1 3.18Å; H43-T50 HydrophobicContact CB-CG2 3.98Å; H43-T50 PolarHBondContact N-OG1 2.94Å
44	S	83.4	Confident	87.5	Confident	92 Å²	92	60 Å²	60	64%	0.643	31%	0.312	S	S	*	.	H	α-helix	trans	-65.2	-29.5	176.9	74.2	0	0	0	0	113	A40 E41 E46	A40-S44 PolarHBondContact O-N 3.45Å; E41-S44 PolarHBondContact O-OG 3.33Å; S44-E46 VanDerWaalsContact C-N 3.28Å
45	K	85.8	Confident	87.2	Confident	113 Å²	113	66.9 Å²	66.9	49%	0.491	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	6.6	174.4	-63.2	167	-173.2	163.5	0	112.6	E41 A42 H43 K47	E41-K45 VanDerWaalsContact O-CB 3.27Å; E41-K45 WeakPolarHBondContact O-CB 3.46Å; E41-K45 WeakPolarHBondContact O-CD 3.46Å; E41-K45 WeakPolarHBondContact O-CG 3.38Å; E41-K45 PolarHBondContact O-N 3.48Å; E41-K45 IonicContact OE2-NZ 3.68Å; E41-K45 PolarHBondContact OE2-NZ 3.08Å; A42-K45 CarbonylContact O-C 3.48Å; A42-K45 PolarHBondContact O-N 2.87Å; H43-K45 VanDerWaalsContact C-N 3.26Å; H43-K45 PolarHBondContact O-N 2.85Å; K45-K47 HydrophobicContact CB-CD 4.16Å; K45-K47 HydrophobicContact CB-CG 3.91Å; K45-K47 PolarHBondContact O-N 2.96Å
46	E	78.2	Confident	87.1	Confident	84 Å²	84	66.9 Å²	66.9	39%	0.393	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.9	33.4	-177.4	-64.8	176.3	-177.1	0	0	113.8	A42 H43 S44 P227	A42-E46 PolarHBondContact O-N 3.34Å; A42-E46 VanDerWaalsContact O-N 3.09Å; H43-E46 WeakPolarHBondContact O-CA 3.46Å; H43-E46 PolarHBondContact O-N 3.14Å; S44-E46 VanDerWaalsContact C-N 3.28Å; E46-P227 WeakPolarHBondContact OE2-CB 3.43Å; E46-P227 WeakPolarHBondContact OE2-CG 3.48Å
47	K	81.9	Confident	87.1	Confident	113 Å²	113	64.6 Å²	64.6	49%	0.491	33%	0.327	S	S	.	.			trans	-80.1	135.9	180	-67	-177.1	179.1	179.5	0	110.1	A42 K45 S49 T50	A42-K47 HydrophobicContact CB-CB 4.15Å; A42-K47 PolarHBondContact O-N 3.26Å; K45-K47 HydrophobicContact CB-CD 4.16Å; K45-K47 HydrophobicContact CB-CG 3.91Å; K45-K47 PolarHBondContact O-N 2.96Å; K47-S49 WeakPolarHBondContact CB-OG 3.43Å; K47-S49 PolarHBondContact O-N 2.93Å; K47-T50 PolarHBondContact O-N 3.24Å; K47-T50 VanDerWaalsContact O-N 3.12Å; K47-T50 PolarHBondContact O-OG1 2.92Å; K47-T50 VanDerWaalsContact O-OG1 3.09Å
48	K	78.6	Confident	86.8	Confident	170 Å²	170	65.9 Å²	65.9	74%	0.739	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-15.8	173.1	-64.1	-176.3	-180	-179.4	0	113.9	T50	K48-T50 PolarHBondContact O-N 3.12Å
49	S	82.8	Confident	86.4	Confident	38 Å²	38	66.3 Å²	66.3	27%	0.266	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-14.4	176.9	53.6	0	0	0	0	114.2	A42 K47 L51 S52 F53	A42-S49 WeakPolarHBondContact CB-OG 3.2Å; K47-S49 WeakPolarHBondContact CB-OG 3.43Å; K47-S49 PolarHBondContact O-N 2.93Å; S49-L51 PolarHBondContact O-N 2.92Å; S49-S52 VanDerWaalsContact CA-OG 3.3Å; S49-S52 WeakPolarHBondContact CA-OG 3.47Å; S49-S52 PolarHBondContact O-N 2.93Å; S49-S52 PolarHBondContact O-OG 3.46Å; S49-F53 WeakPolarHBondContact O-CD2 3.27Å; S49-F53 PolarHBondContact O-N 2.98Å
50	T	86	Confident	86.4	Confident	18 Å²	18	66.5 Å²	66.5	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-54	-43.4	174.3	-55.6	0	0	0	0	111.6	A42 H43 K47 K48 S52 F53 N54	A42-T50 VanDerWaalsContact CB-OG1 3.3Å; A42-T50 WeakPolarHBondContact CB-OG1 3.28Å; A42-T50 PolarHBondContact O-OG1 3.44Å; H43-T50 WeakPolarHBondContact CA-OG1 3.18Å; H43-T50 HydrophobicContact CB-CG2 3.98Å; H43-T50 PolarHBondContact N-OG1 2.94Å; K47-T50 PolarHBondContact O-N 3.24Å; K47-T50 VanDerWaalsContact O-N 3.12Å; K47-T50 PolarHBondContact O-OG1 2.92Å; K47-T50 VanDerWaalsContact O-OG1 3.09Å; K48-T50 PolarHBondContact O-N 3.12Å; T50-S52 VanDerWaalsContact C-N 3.33Å; T50-S52 PolarHBondContact O-N 3.45Å; T50-F53 PolarHBondContact O-N 3.18Å; T50-N54 WeakPolarHBondContact O-CB 3.25Å; T50-N54 PolarHBondContact O-N 3.02Å
51	L	86.2	Confident	86.3	Confident	96 Å²	96	70.3 Å²	70.3	50%	0.503	35%	0.346	S	S	.	.	H	α-helix	trans	-65.3	-35.6	178.2	-67.7	175.9	0	0	0	112.5	S49 R55	S49-L51 PolarHBondContact O-N 2.92Å; L51-R55 WeakPolarHBondContact O-CB 3.39Å; L51-R55 WeakPolarHBondContact O-CG 3.32Å; L51-R55 PolarHBondContact O-N 3.19Å
52	S	89	Confident	85.7	Confident	47 Å²	47	72.1 Å²	72.1	33%	0.329	36%	0.356	S	S	.	.	H	α-helix	trans	-69.3	-39.8	176.8	48.4	0	0	0	0	112	S49 T50 A56	S49-S52 VanDerWaalsContact CA-OG 3.3Å; S49-S52 WeakPolarHBondContact CA-OG 3.47Å; S49-S52 PolarHBondContact O-N 2.93Å; S49-S52 PolarHBondContact O-OG 3.46Å; T50-S52 VanDerWaalsContact C-N 3.33Å; T50-S52 PolarHBondContact O-N 3.45Å; S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.36Å
53	F	92	Very high	85.2	Confident	23 Å²	23	72.9 Å²	72.9	10%	0.101	36%	0.359	C	S	.	.	H	α-helix	trans	-67	-45.1	176.3	-64.9	-53.9	0	0	0	111.6	L35 L38 A42 S49 T50 R55 A56 L57 I84	L35-F53 HydrophobicContact CD2-CD1 3.86Å; L38-F53 HydrophobicContact CB-CD1 3.99Å; L38-F53 HydrophobicContact CB-CD2 4.02Å; L38-F53 HydrophobicContact CB-CE1 3.9Å; L38-F53 HydrophobicContact CB-CE2 3.93Å; L38-F53 HydrophobicContact CB-CG 4.06Å; L38-F53 HydrophobicContact CB-CZ 3.87Å; L38-F53 HydrophobicContact CD1-CD1 4.41Å; L38-F53 HydrophobicContact CD1-CE1 3.91Å; L38-F53 HydrophobicContact CD1-CZ 4.32Å; L38-F53 HydrophobicContact CD2-CZ 4.38Å; L38-F53 HydrophobicContact CG-CE1 4.41Å; L38-F53 HydrophobicContact CG-CZ 4.43Å; L38-F53 WeakPolarHBondContact O-CD2 3.2Å; A42-F53 HydrophobicContact CB-CD2 3.95Å; A42-F53 HydrophobicContact CB-CE2 3.97Å; S49-F53 WeakPolarHBondContact O-CD2 3.27Å; S49-F53 PolarHBondContact O-N 2.98Å; T50-F53 PolarHBondContact O-N 3.18Å; F53-R55 VanDerWaalsContact C-N 3.33Å; F53-R55 PolarHBondContact O-N 3.38Å; F53-A56 PolarHBondContact O-N 2.7Å; F53-L57 WeakPolarHBondContact O-CB 3.44Å; F53-L57 PolarHBondContact O-N 2.77Å; F53-I84 HydrophobicContact CD1-CD1 4.16Å; F53-I84 HydrophobicContact CD1-CG1 4.19Å; F53-I84 HydrophobicContact CE1-CD1 4.43Å; F53-I84 HydrophobicContact CE1-CG1 3.97Å
54	N	88.8	Confident	84.7	Confident	71 Å²	71	69.9 Å²	69.9	38%	0.38	35%	0.351	S	S	.	.	H	α-helix	trans	-62.4	-39.3	177.7	-70.5	-11.1	0	0	0	112.3	T50 L57 C58	T50-N54 WeakPolarHBondContact O-CB 3.25Å; T50-N54 PolarHBondContact O-N 3.02Å; N54-L57 PolarHBondContact O-N 3.41Å; N54-C58 PolarHBondContact O-N 2.97Å; N54-C58 PolarHBondContact O-SG 3.03Å
55	R	89	Confident	84.5	Confident	148 Å²	148	66.7 Å²	66.7	56%	0.558	33%	0.328	S	S	*	.	H	α-helix	trans	-66.3	-41	175.2	-75.6	174.6	177.8	177.7	-3.7	112.6	L51 F53 C58 S59 H79	L51-R55 WeakPolarHBondContact O-CB 3.39Å; L51-R55 WeakPolarHBondContact O-CG 3.32Å; L51-R55 PolarHBondContact O-N 3.19Å; F53-R55 VanDerWaalsContact C-N 3.33Å; F53-R55 PolarHBondContact O-N 3.38Å; R55-C58 PolarHBondContact O-N 3.19Å; R55-S59 PolarHBondContact O-N 3.5Å; R55-S59 VanDerWaalsContact O-N 3.1Å; R55-H79 HydrophobicContact CB-CB 3.99Å
56	A	91.2	Very high	84.5	Confident	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-42.8	174.3	0	0	0	0	0	111.1	L35 S52 F53 C58 S59 L60 H79 F80 I84	L35-A56 HydrophobicContact CD1-CB 4.21Å; L35-A56 HydrophobicContact CD2-CB 4.2Å; S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.36Å; F53-A56 PolarHBondContact O-N 2.7Å; A56-C58 PolarHBondContact O-N 2.69Å; A56-S59 PolarHBondContact O-N 3.38Å; A56-S59 VanDerWaalsContact O-N 3.13Å; A56-L60 PolarHBondContact O-N 3.34Å; A56-H79 HydrophobicContact CB-CB 4.49Å; A56-F80 HydrophobicContact CB-CD2 3.97Å; A56-F80 HydrophobicContact CB-CE2 3.82Å; A56-F80 HydrophobicContact CB-CZ 4.41Å; A56-F80 WeakPolarHBondContact O-CE2 3.39Å; A56-I84 HydrophobicContact CB-CD1 3.89Å
57	L	90.6	Very high	85	Confident	13 Å²	13	60.6 Å²	60.6	7%	0.068	30%	0.302	C	S	.	.	H	α-helix	trans	-59	-45.9	175.9	-179.1	65.8	0	0	0	111.8	E32 L35 I36 F53 N54 S59 L60 R61	E32-L57 HydrophobicContact CB-CD1 4.45Å; E32-L57 HydrophobicContact CG-CD1 3.62Å; L35-L57 HydrophobicContact CB-CB 4.33Å; L35-L57 HydrophobicContact CB-CD1 4.18Å; I36-L57 HydrophobicContact CD1-CD1 4.47Å; I36-L57 HydrophobicContact CG1-CD1 4Å; I36-L57 HydrophobicContact CG1-CD2 3.68Å; F53-L57 WeakPolarHBondContact O-CB 3.44Å; F53-L57 PolarHBondContact O-N 2.77Å; N54-L57 PolarHBondContact O-N 3.41Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.08Å; L57-L60 PolarHBondContact O-N 3.18Å; L57-R61 HydrophobicContact CD1-CG 4.47Å; L57-R61 WeakPolarHBondContact O-CG 3.36Å; L57-R61 PolarHBondContact O-N 2.85Å
58	C	86.1	Confident	85.1	Confident	79 Å²	79	59.6 Å²	59.6	53%	0.534	30%	0.299	S	S	.	.	H	α-helix	trans	-59.7	-42.9	174.3	-67.9	0	0	0	0	111.6	N54 R55 A56 L60 R61 M62	N54-C58 PolarHBondContact O-N 2.97Å; N54-C58 PolarHBondContact O-SG 3.03Å; R55-C58 PolarHBondContact O-N 3.19Å; A56-C58 PolarHBondContact O-N 2.69Å; C58-L60 VanDerWaalsContact C-N 3.31Å; C58-L60 PolarHBondContact O-N 2.91Å; C58-R61 PolarHBondContact O-N 3.22Å; C58-M62 VanDerWaalsContact O-CG 3.3Å; C58-M62 WeakPolarHBondContact O-CG 3.16Å; C58-M62 PolarHBondContact O-N 3.26Å
59	S	85.3	Confident	85.7	Confident	20 Å²	20	53.7 Å²	53.7	14%	0.14	28%	0.279	C	S	.	.	H	α-helix	trans	-64.7	-35.8	177.1	-169.5	0	0	0	0	112.7	R55 A56 L57 L78	R55-S59 PolarHBondContact O-N 3.5Å; R55-S59 VanDerWaalsContact O-N 3.1Å; A56-S59 PolarHBondContact O-N 3.38Å; A56-S59 VanDerWaalsContact O-N 3.13Å; L57-S59 VanDerWaalsContact C-N 3.32Å; L57-S59 PolarHBondContact O-N 3.08Å; S59-L78 VanDerWaalsContact CB-O 3.23Å; S59-L78 WeakPolarHBondContact CB-O 3.46Å; S59-L78 PolarHBondContact OG-N 3.03Å; S59-L78 PolarHBondContact OG-O 3.26Å
60	L	88.8	Confident	86	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.037	27%	0.268	C	S	.	.	H	α-helix	trans	-71	-42.4	178.7	-179.2	64.8	0	0	0	111.7	F31 E32 L35 A56 L57 C58 M62 F63 L67 L77 F80	F31-L60 HydrophobicContact CB-CD2 3.62Å; E32-L60 HydrophobicContact CB-CD2 4.09Å; L35-L60 HydrophobicContact CD1-CD2 3.96Å; A56-L60 PolarHBondContact O-N 3.34Å; L57-L60 PolarHBondContact O-N 3.18Å; C58-L60 VanDerWaalsContact C-N 3.31Å; C58-L60 PolarHBondContact O-N 2.91Å; L60-M62 PolarHBondContact O-N 3.19Å; L60-F63 VanDerWaalsContact O-CB 3.3Å; L60-F63 WeakPolarHBondContact O-CB 3.48Å; L60-F63 PolarHBondContact O-N 3.46Å; L60-L67 HydrophobicContact CD1-CD1 3.42Å; L60-L67 VanDerWaalsContact CD1-CD1 3.42Å; L60-L77 HydrophobicContact CB-CD1 4.17Å; L60-L77 HydrophobicContact CD1-CD1 3.61Å; L60-F80 HydrophobicContact CB-CE2 4.28Å; L60-F80 HydrophobicContact CB-CZ 4.22Å
61	R	85.7	Confident	86.1	Confident	139 Å²	139	56 Å²	56	53%	0.525	29%	0.285	S	S	.	.	H	α-helix	trans	-63.5	-28.4	177.8	-76.5	179.6	169.4	167.2	-1.9	113.5	E32 L57 C58 F63	E32-R61 IonicContact OE1-CZ 3.31Å; E32-R61 IonicContact OE1-NE 3.23Å; E32-R61 PolarHBondContact OE1-NE 3.19Å; E32-R61 IonicContact OE1-NH2 2.7Å; E32-R61 PolarHBondContact OE1-NH2 2.92Å; E32-R61 VanDerWaalsContact OE1-NH2 3.09Å; L57-R61 HydrophobicContact CD1-CG 4.47Å; L57-R61 WeakPolarHBondContact O-CG 3.36Å; L57-R61 PolarHBondContact O-N 2.85Å; C58-R61 PolarHBondContact O-N 3.22Å; R61-F63 VanDerWaalsContact C-N 3.31Å
62	M	75.7	Confident	86.1	Confident	112 Å²	112	52.2 Å²	52.2	55%	0.552	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-2.7	175.8	-62.5	-59.4	-64.4	0	0	113.3	C58 L60 P64 V522	C58-M62 VanDerWaalsContact O-CG 3.3Å; C58-M62 WeakPolarHBondContact O-CG 3.16Å; C58-M62 PolarHBondContact O-N 3.26Å; L60-M62 PolarHBondContact O-N 3.19Å; M62-P64 WeakPolarHBondContact O-CD 3.37Å; M62-V522 HydrophobicContact CE-CG1 4.05Å
63	F	78.6	Confident	86.1	Confident	20 Å²	20	50 Å²	50	9%	0.088	25%	0.248	C	C	.	.			trans	-88.5	118.1	-175.7	-171.9	-115.6	0	0	0	111.8	L60 R61 S65 L67 L76 L77	L60-F63 VanDerWaalsContact O-CB 3.3Å; L60-F63 WeakPolarHBondContact O-CB 3.48Å; L60-F63 PolarHBondContact O-N 3.46Å; R61-F63 VanDerWaalsContact C-N 3.31Å; F63-S65 WeakPolarHBondContact CD1-O 3.31Å; F63-S65 WeakPolarHBondContact CE1-O 3.33Å; F63-S65 PolarHBondContact O-N 3.15Å; F63-L67 HydrophobicContact CD1-CD2 4.02Å; F63-L67 HydrophobicContact CD1-CG 4.02Å; F63-L67 HydrophobicContact CE1-CD2 3.48Å; F63-L67 VanDerWaalsContact CE1-CD2 3.48Å; F63-L67 HydrophobicContact CE1-CG 3.77Å; F63-L67 HydrophobicContact CZ-CD2 4.06Å; F63-L76 HydrophobicContact CE2-CB 4.1Å; F63-L76 HydrophobicContact CE2-CD1 4.06Å; F63-L76 HydrophobicContact CZ-CB 4.31Å; F63-L76 HydrophobicContact CZ-CD1 3.57Å; F63-L77 HydrophobicContact CB-CD2 3.57Å; F63-L77 HydrophobicContact CD1-CD2 4.2Å; F63-L77 HydrophobicContact CD2-CD2 3.42Å; F63-L77 VanDerWaalsContact CD2-CD2 3.42Å; F63-L77 HydrophobicContact CE2-CD2 4.12Å; F63-L77 HydrophobicContact CG-CD2 3.47Å; F63-L77 VanDerWaalsContact CG-CD2 3.47Å
64	P	76	Confident	85.9	Confident	65 Å²	65	52.6 Å²	52.6	42%	0.422	26%	0.26	S	S	.	.			trans	-90.6	13.4	-169.1	38.2	-40	0	0	0	114.4	M62 V522	M62-P64 WeakPolarHBondContact O-CD 3.37Å; P64-V522 HydrophobicContact CB-CG2 4.26Å; P64-V522 HydrophobicContact CG-CG2 3.86Å
65	S	79.2	Confident	85.7	Confident	24 Å²	24	52.4 Å²	52.4	17%	0.168	26%	0.261	C	S	.	.	S	Bend	trans	-137.2	162.5	-171	-54.7	0	0	0	0	112.2	N28 F63 S518	N28-S65 PolarHBondContact ND2-O 3.21Å; F63-S65 WeakPolarHBondContact CD1-O 3.31Å; F63-S65 WeakPolarHBondContact CE1-O 3.33Å; F63-S65 PolarHBondContact O-N 3.15Å; S65-S518 PolarHBondContact OG-OG 3.03Å
66	E	85.4	Confident	85.3	Confident	68 Å²	68	46.4 Å²	46.4	32%	0.318	24%	0.24	S	C	.	.			trans	-68.6	134	176.3	-170	160	-157.3	0	0	111.5	F25 H68 R514	F25-E66 HydrophobicContact CB-CB 4.2Å; F25-E66 HydrophobicContact CB-CG 4.03Å; F25-E66 HydrophobicContact CD1-CB 3.43Å; F25-E66 VanDerWaalsContact CD1-CB 3.43Å; F25-E66 HydrophobicContact CD1-CG 3.86Å; F25-E66 HydrophobicContact CD2-CB 4.37Å; F25-E66 HydrophobicContact CE1-CB 3.79Å; F25-E66 HydrophobicContact CG-CB 3.74Å; F25-E66 HydrophobicContact CG-CG 4.1Å; F25-E66 HydrophobicContact CZ-CB 4.41Å; E66-H68 IonicContact OE2-CE1 3.45Å; E66-R514 PolarHBondContact O-NH2 3.18Å
67	L	87.5	Confident	85	Confident	1 Å²	1	47 Å²	47	1%	0.005	24%	0.243	C	C	.	.			trans	-92.4	139.1	163.8	-62.9	168	0	0	0	108.8	L27 N28 F31 L60 F63 E72 A73 L76 L77	L27-L67 WeakPolarHBondContact CB-O 3.45Å; L27-L67 HydrophobicContact CD2-CB 4.29Å; L27-L67 VanDerWaalsContact CD2-O 3.25Å; L27-L67 WeakPolarHBondContact CD2-O 3.21Å; N28-L67 WeakPolarHBondContact OD1-CB 3.38Å; N28-L67 WeakPolarHBondContact OD1-CG 3.42Å; N28-L67 PolarHBondContact OD1-N 2.97Å; F31-L67 HydrophobicContact CD2-CD1 3.9Å; F31-L67 HydrophobicContact CE2-CD1 4.26Å; L60-L67 HydrophobicContact CD1-CD1 3.42Å; L60-L67 VanDerWaalsContact CD1-CD1 3.42Å; F63-L67 HydrophobicContact CD1-CD2 4.02Å; F63-L67 HydrophobicContact CD1-CG 4.02Å; F63-L67 HydrophobicContact CE1-CD2 3.48Å; F63-L67 VanDerWaalsContact CE1-CD2 3.48Å; F63-L67 HydrophobicContact CE1-CG 3.77Å; F63-L67 HydrophobicContact CZ-CD2 4.06Å; L67-E72 HydrophobicContact CD2-CG 4.13Å; L67-A73 HydrophobicContact CD1-CB 4.05Å; L67-A73 HydrophobicContact CD2-CB 4.22Å; L67-L76 HydrophobicContact CD2-CD1 4.48Å; L67-L77 HydrophobicContact CD1-CD1 3.96Å
68	H	84.8	Confident	84.6	Confident	93 Å²	93	49.6 Å²	49.6	43%	0.431	26%	0.257	S	S	.	.			trans	-108.5	-15.2	176.7	-52.1	-68.6	0	0	0	112.7	L27 E66 E72 R514	L27-H68 VanDerWaalsContact CD2-C 3.46Å; E66-H68 IonicContact OE2-CE1 3.45Å; H68-E72 WeakPolarHBondContact CB-OE2 3.38Å; H68-E72 IonicContact CD2-OE2 2.77Å; H68-E72 PolarHBondContact CD2-OE2 3.43Å; H68-E72 IonicContact CG-OE2 2.77Å; H68-E72 PolarHBondContact N-OE2 2.84Å; H68-R514 PolarHBondContact CD2-NH2 3.27Å; H68-R514 PolarHBondContact NE2-NH1 3.17Å; H68-R514 PolarHBondContact NE2-NH2 3.18Å; H68-R514 VanDerWaalsContact NE2-NH2 3.18Å
69	S	90.7	Very high	84.7	Confident	46 Å²	46	50.8 Å²	50.8	32%	0.322	25%	0.254	S	S	.	.			trans	-155.4	166.8	176.9	66.5	0	0	0	0	113.4	E72 A73	S69-E72 VanDerWaalsContact OG-CB 3.31Å; S69-E72 WeakPolarHBondContact OG-CB 3.4Å; S69-E72 PolarHBondContact OG-N 3.37Å; S69-A73 PolarHBondContact O-N 3.04Å; S69-A73 VanDerWaalsContact O-N 3.09Å
70	T	90.5	Very high	84.9	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.043	25%	0.25	C	C	.	.	H	α-helix	trans	-68.2	-35.3	171.5	52.9	0	0	0	0	112.6	F31 E72 A73 K74 L88 D89	F31-T70 HydrophobicContact CE1-CG2 4.09Å; F31-T70 HydrophobicContact CE2-CG2 4.26Å; F31-T70 HydrophobicContact CZ-CG2 3.51Å; T70-E72 VanDerWaalsContact C-N 3.31Å; T70-A73 WeakPolarHBondContact O-CB 3.46Å; T70-A73 PolarHBondContact O-N 2.99Å; T70-K74 WeakPolarHBondContact O-CB 3.17Å; T70-K74 PolarHBondContact O-N 3.09Å; T70-L88 HydrophobicContact CG2-CB 3.72Å; T70-D89 VanDerWaalsContact CB-OD1 3.26Å; T70-D89 WeakPolarHBondContact CB-OD1 3.45Å; T70-D89 WeakPolarHBondContact CG2-OD1 3.47Å; T70-D89 PolarHBondContact OG1-OD1 3.03Å; T70-D89 PolarHBondContact OG1-OD2 3.13Å; T70-D89 VanDerWaalsContact OG1-OD2 3.11Å
71	E	86.8	Confident	84.8	Confident	98 Å²	98	51.7 Å²	51.7	46%	0.458	27%	0.265	S	S	.	.	H	α-helix	trans	-69.4	-33.3	176.8	-166.7	61.5	-151.3	0	0	110.9	K74 T75	E71-K74 VanDerWaalsContact CD-NZ 3.31Å; E71-K74 WeakPolarHBondContact O-CB 3.42Å; E71-K74 PolarHBondContact O-N 3.28Å; E71-K74 IonicContact OE1-NZ 2.69Å; E71-K74 PolarHBondContact OE1-NZ 3.26Å; E71-K74 IonicContact OE2-NZ 2.96Å; E71-K74 PolarHBondContact OE2-NZ 3.03Å; E71-T75 PolarHBondContact O-N 3.09Å; E71-T75 VanDerWaalsContact O-N 3.12Å; E71-T75 PolarHBondContact O-OG1 3.12Å
72	E	86.8	Confident	85	Confident	15 Å²	15	48.3 Å²	48.3	7%	0.07	27%	0.267	C	S	.	.	H	α-helix	trans	-62.6	-49.1	167	-179.5	169.2	-151.7	0	0	110.8	L67 H68 S69 T70 K74 T75 L76 A511 R514	L67-E72 HydrophobicContact CD2-CG 4.13Å; H68-E72 WeakPolarHBondContact CB-OE2 3.38Å; H68-E72 IonicContact CD2-OE2 2.77Å; H68-E72 PolarHBondContact CD2-OE2 3.43Å; H68-E72 IonicContact CG-OE2 2.77Å; H68-E72 PolarHBondContact N-OE2 2.84Å; S69-E72 VanDerWaalsContact OG-CB 3.31Å; S69-E72 WeakPolarHBondContact OG-CB 3.4Å; S69-E72 PolarHBondContact OG-N 3.37Å; T70-E72 VanDerWaalsContact C-N 3.31Å; E72-K74 VanDerWaalsContact C-N 3.27Å; E72-K74 PolarHBondContact O-N 3.24Å; E72-T75 PolarHBondContact O-N 2.87Å; E72-L76 HydrophobicContact CG-CD1 3.58Å; E72-L76 HydrophobicContact CG-CG 3.89Å; E72-L76 WeakPolarHBondContact O-CG 3.34Å; E72-L76 PolarHBondContact O-N 3.06Å; E72-A511 HydrophobicContact CG-CB 3.97Å; E72-A511 WeakPolarHBondContact OE1-CB 3.41Å; E72-R514 IonicContact OE1-CZ 3.11Å; E72-R514 IonicContact OE1-NH2 3.79Å; E72-R514 PolarHBondContact OE1-NH2 3.32Å; E72-R514 IonicContact OE2-NH2 3.81Å
73	A	88	Confident	85.7	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-56.5	-40.9	177.2	0	0	0	0	0	112.5	F31 L67 S69 T70 T75 L76 L77 F80	F31-A73 HydrophobicContact CE2-CB 4.19Å; L67-A73 HydrophobicContact CD1-CB 4.05Å; L67-A73 HydrophobicContact CD2-CB 4.22Å; S69-A73 PolarHBondContact O-N 3.04Å; S69-A73 VanDerWaalsContact O-N 3.09Å; T70-A73 WeakPolarHBondContact O-CB 3.46Å; T70-A73 PolarHBondContact O-N 2.99Å; A73-T75 VanDerWaalsContact C-N 3.29Å; A73-T75 PolarHBondContact O-N 2.88Å; A73-L76 PolarHBondContact O-N 3.2Å; A73-L77 HydrophobicContact CB-CD1 4.24Å; A73-L77 WeakPolarHBondContact O-CA 3.15Å; A73-L77 WeakPolarHBondContact O-CB 3.36Å; A73-L77 PolarHBondContact O-N 3.33Å; A73-F80 HydrophobicContact CB-CD1 3.67Å; A73-F80 HydrophobicContact CB-CE1 3.76Å; A73-F80 HydrophobicContact CB-CG 4.34Å; A73-F80 HydrophobicContact CB-CZ 4.48Å
74	K	88.8	Confident	86.4	Confident	79 Å²	79	53.3 Å²	53.3	34%	0.343	28%	0.28	S	S	.	.	H	α-helix	trans	-61.2	-34.4	174.2	-173.3	170.3	152.1	-139.5	0	113.8	T70 E71 E72	T70-K74 WeakPolarHBondContact O-CB 3.17Å; T70-K74 PolarHBondContact O-N 3.09Å; E71-K74 VanDerWaalsContact CD-NZ 3.31Å; E71-K74 WeakPolarHBondContact O-CB 3.42Å; E71-K74 PolarHBondContact O-N 3.28Å; E71-K74 IonicContact OE1-NZ 2.69Å; E71-K74 PolarHBondContact OE1-NZ 3.26Å; E71-K74 IonicContact OE2-NZ 2.96Å; E71-K74 PolarHBondContact OE2-NZ 3.03Å; E72-K74 VanDerWaalsContact C-N 3.27Å; E72-K74 PolarHBondContact O-N 3.24Å
75	T	83.3	Confident	87.2	Confident	66 Å²	66	50.4 Å²	50.4	41%	0.405	26%	0.261	S	S	.	.	H	α-helix	trans	-81.2	-39.1	-178.8	-55.7	0	0	0	0	111.4	E71 E72 A73 A512	E71-T75 PolarHBondContact O-N 3.09Å; E71-T75 VanDerWaalsContact O-N 3.12Å; E71-T75 PolarHBondContact O-OG1 3.12Å; E72-T75 PolarHBondContact O-N 2.87Å; A73-T75 VanDerWaalsContact C-N 3.29Å; A73-T75 PolarHBondContact O-N 2.88Å; T75-A512 HydrophobicContact CG2-CB 3.97Å
76	L	82.5	Confident	87.9	Confident	22 Å²	22	52 Å²	52	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-92.8	-33.3	-171.9	-53.6	-166.5	0	0	0	113.8	F63 L67 E72 A73 A511	F63-L76 HydrophobicContact CE2-CB 4.1Å; F63-L76 HydrophobicContact CE2-CD1 4.06Å; F63-L76 HydrophobicContact CZ-CB 4.31Å; F63-L76 HydrophobicContact CZ-CD1 3.57Å; L67-L76 HydrophobicContact CD2-CD1 4.48Å; E72-L76 HydrophobicContact CG-CD1 3.58Å; E72-L76 HydrophobicContact CG-CG 3.89Å; E72-L76 WeakPolarHBondContact O-CG 3.34Å; E72-L76 PolarHBondContact O-N 3.06Å; A73-L76 PolarHBondContact O-N 3.2Å; L76-A511 HydrophobicContact CD1-CB 4.28Å; L76-A511 HydrophobicContact CD2-CB 4.18Å; L76-A511 WeakPolarHBondContact CD2-O 3.36Å
77	L	84.4	Confident	88.2	Confident	13 Å²	13	52 Å²	52	7%	0.068	28%	0.276	C	S	.	.	S	Bend	trans	-103	146.7	-170.8	-54	-177.1	0	0	0	112	L60 F63 L67 A73 F80	L60-L77 HydrophobicContact CB-CD1 4.17Å; L60-L77 HydrophobicContact CD1-CD1 3.61Å; F63-L77 HydrophobicContact CB-CD2 3.57Å; F63-L77 HydrophobicContact CD1-CD2 4.2Å; F63-L77 HydrophobicContact CD2-CD2 3.42Å; F63-L77 VanDerWaalsContact CD2-CD2 3.42Å; F63-L77 HydrophobicContact CE2-CD2 4.12Å; F63-L77 HydrophobicContact CG-CD2 3.47Å; F63-L77 VanDerWaalsContact CG-CD2 3.47Å; L67-L77 HydrophobicContact CD1-CD1 3.96Å; A73-L77 HydrophobicContact CB-CD1 4.24Å; A73-L77 WeakPolarHBondContact O-CA 3.15Å; A73-L77 WeakPolarHBondContact O-CB 3.36Å; A73-L77 PolarHBondContact O-N 3.33Å; L77-F80 HydrophobicContact CB-CD2 3.48Å; L77-F80 VanDerWaalsContact CB-CD2 3.48Å; L77-F80 HydrophobicContact CB-CE2 3.8Å; L77-F80 HydrophobicContact CB-CG 4.19Å; L77-F80 HydrophobicContact CD1-CD2 3.95Å; L77-F80 HydrophobicContact CD1-CE1 4.41Å; L77-F80 HydrophobicContact CD1-CE2 3.43Å; L77-F80 VanDerWaalsContact CD1-CE2 3.43Å; L77-F80 HydrophobicContact CD1-CZ 3.7Å; L77-F80 HydrophobicContact CG-CD2 4.35Å; L77-F80 HydrophobicContact CG-CE2 4.27Å
78	L	82.1	Confident	88.6	Confident	68 Å²	68	52 Å²	52	36%	0.356	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	146.7	172.5	-75.3	150.6	0	0	0	109.6	S59 F80	S59-L78 VanDerWaalsContact CB-O 3.23Å; S59-L78 WeakPolarHBondContact CB-O 3.46Å; S59-L78 PolarHBondContact OG-N 3.03Å; S59-L78 PolarHBondContact OG-O 3.26Å; L78-F80 PolarHBondContact O-N 3.35Å; L78-F80 VanDerWaalsContact O-N 3.16Å
79	H	88.2	Confident	89	Confident	103 Å²	103	50.6 Å²	50.6	48%	0.477	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	2.9	174.4	-45.8	-64	0	0	0	116.4	R55 A56 G81 I84	R55-H79 HydrophobicContact CB-CB 3.99Å; A56-H79 HydrophobicContact CB-CB 4.49Å; H79-G81 PolarHBondContact O-N 2.77Å; H79-I84 WeakPolarHBondContact O-CD1 3.43Å
80	F	90	Very high	89.2	Confident	11 Å²	11	54.8 Å²	54.8	5%	0.048	28%	0.284	C	S	.	.			trans	-75.9	89.2	166.6	-83.2	-109.2	0	0	0	110.1	L35 A56 L60 A73 L77 L78 I84 L88	L35-F80 HydrophobicContact CD1-CE1 4.38Å; L35-F80 HydrophobicContact CD1-CE2 4.4Å; L35-F80 HydrophobicContact CD1-CZ 3.73Å; A56-F80 HydrophobicContact CB-CD2 3.97Å; A56-F80 HydrophobicContact CB-CE2 3.82Å; A56-F80 HydrophobicContact CB-CZ 4.41Å; A56-F80 WeakPolarHBondContact O-CE2 3.39Å; L60-F80 HydrophobicContact CB-CE2 4.28Å; L60-F80 HydrophobicContact CB-CZ 4.22Å; A73-F80 HydrophobicContact CB-CD1 3.67Å; A73-F80 HydrophobicContact CB-CE1 3.76Å; A73-F80 HydrophobicContact CB-CG 4.34Å; A73-F80 HydrophobicContact CB-CZ 4.48Å; L77-F80 HydrophobicContact CB-CD2 3.48Å; L77-F80 VanDerWaalsContact CB-CD2 3.48Å; L77-F80 HydrophobicContact CB-CE2 3.8Å; L77-F80 HydrophobicContact CB-CG 4.19Å; L77-F80 HydrophobicContact CD1-CD2 3.95Å; L77-F80 HydrophobicContact CD1-CE1 4.41Å; L77-F80 HydrophobicContact CD1-CE2 3.43Å; L77-F80 VanDerWaalsContact CD1-CE2 3.43Å; L77-F80 HydrophobicContact CD1-CZ 3.7Å; L77-F80 HydrophobicContact CG-CD2 4.35Å; L77-F80 HydrophobicContact CG-CE2 4.27Å; L78-F80 PolarHBondContact O-N 3.35Å; L78-F80 VanDerWaalsContact O-N 3.16Å; F80-I84 HydrophobicContact CD1-CG2 4.27Å; F80-L88 HydrophobicContact CD1-CD1 4.15Å; F80-L88 HydrophobicContact CE1-CD1 3.59Å
81	G	85.9	Confident	89.4	Confident	35 Å²	35	56.4 Å²	56.4	36%	0.361	29%	0.289	S	S	.	.			trans	-83.7	165	174.9	0	0	0	0	0	112.6	H79 R83 I84 C85	H79-G81 PolarHBondContact O-N 2.77Å; G81-R83 PolarHBondContact O-N 3.11Å; G81-R83 VanDerWaalsContact O-N 3.1Å; G81-I84 PolarHBondContact O-N 3.43Å; G81-C85 PolarHBondContact O-N 2.93Å; G81-C85 PolarHBondContact O-SG 3.04Å
82	A	89.6	Confident	89.7	Confident	68 Å²	68	52 Å²	52	56%	0.562	27%	0.269	S	S	*	.	H	α-helix	trans	-53.2	-34.6	179.4	0	0	0	0	0	113.7	A86	A82-A86 VanDerWaalsContact O-CB 3.28Å; A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.91Å
83	R	90.6	Very high	90	Very high	229 Å²	229	57.6 Å²	57.6	86%	0.864	30%	0.295	S	S	*	.	H	α-helix	trans	-68.8	-39.4	175.9	-69.6	-173.8	179.6	178.5	-0.2	113.4	G81 E87	G81-R83 PolarHBondContact O-N 3.11Å; G81-R83 VanDerWaalsContact O-N 3.1Å; R83-E87 WeakPolarHBondContact O-CB 3.29Å; R83-E87 PolarHBondContact O-N 3.12Å; R83-E87 VanDerWaalsContact O-N 3.14Å
84	I	92.9	Very high	90.2	Very high	9 Å²	9	61 Å²	61	5%	0.046	32%	0.316	C	S	.	.	H	α-helix	trans	-68.6	-43.5	177.1	-62.1	-176.1	0	0	0	108.9	L35 F53 A56 H79 F80 G81 E87 L88	L35-I84 HydrophobicContact CD2-CG2 3.81Å; F53-I84 HydrophobicContact CD1-CD1 4.16Å; F53-I84 HydrophobicContact CD1-CG1 4.19Å; F53-I84 HydrophobicContact CE1-CD1 4.43Å; F53-I84 HydrophobicContact CE1-CG1 3.97Å; A56-I84 HydrophobicContact CB-CD1 3.89Å; H79-I84 WeakPolarHBondContact O-CD1 3.43Å; F80-I84 HydrophobicContact CD1-CG2 4.27Å; G81-I84 PolarHBondContact O-N 3.43Å; I84-E87 PolarHBondContact O-N 2.94Å; I84-L88 HydrophobicContact CG2-CD1 3.9Å; I84-L88 HydrophobicContact CG2-CG 4.31Å; I84-L88 VanDerWaalsContact O-CG 3.29Å; I84-L88 WeakPolarHBondContact O-CG 3.42Å; I84-L88 PolarHBondContact O-N 3.02Å
85	C	93.9	Very high	90.4	Very high	4 Å²	4	57.4 Å²	57.4	3%	0.027	30%	0.3	C	S	.	.	H	α-helix	trans	-62.3	-47.3	178.6	-55.7	0	0	0	0	111.3	G81 E87 L88 D89	G81-C85 PolarHBondContact O-N 2.93Å; G81-C85 PolarHBondContact O-SG 3.04Å; C85-E87 VanDerWaalsContact C-N 3.31Å; C85-E87 PolarHBondContact O-N 3.43Å; C85-L88 CarbonylContact O-C 3.58Å; C85-L88 PolarHBondContact O-N 3.23Å; C85-L88 VanDerWaalsContact O-N 3.15Å; C85-D89 WeakPolarHBondContact O-CB 3.48Å; C85-D89 PolarHBondContact O-N 3.35Å; C85-D89 VanDerWaalsContact O-OD2 3.11Å
86	A	93.2	Very high	90.9	Very high	58 Å²	58	59.1 Å²	59.1	48%	0.479	30%	0.299	S	S	.	.	H	α-helix	trans	-60.6	-36.7	177.1	0	0	0	0	0	113.4	A82 K90	A82-A86 VanDerWaalsContact O-CB 3.28Å; A82-A86 WeakPolarHBondContact O-CB 3.47Å; A82-A86 PolarHBondContact O-N 2.91Å; A86-K90 PolarHBondContact O-N 3.49Å; A86-K90 VanDerWaalsContact O-N 3.11Å
87	E	92.2	Very high	91.2	Very high	67 Å²	67	65 Å²	65	31%	0.313	33%	0.33	S	S	.	.	H	α-helix	trans	-70.3	-40.9	175.7	-170.8	63.9	-148.7	0	0	111.6	L38 R83 I84 C85 K90 R91	L38-E87 HydrophobicContact CD1-CB 4.46Å; L38-E87 HydrophobicContact CD1-CG 3.67Å; L38-E87 HydrophobicContact CD2-CG 3.75Å; L38-E87 HydrophobicContact CG-CG 4.38Å; R83-E87 WeakPolarHBondContact O-CB 3.29Å; R83-E87 PolarHBondContact O-N 3.12Å; R83-E87 VanDerWaalsContact O-N 3.14Å; I84-E87 PolarHBondContact O-N 2.94Å; C85-E87 VanDerWaalsContact C-N 3.31Å; C85-E87 PolarHBondContact O-N 3.43Å; E87-K90 PolarHBondContact O-N 3.11Å; E87-R91 WeakPolarHBondContact O-CG 3.38Å; E87-R91 PolarHBondContact O-N 3.36Å; E87-R91 VanDerWaalsContact O-N 3.13Å; E87-R91 IonicContact OE1-NE 2.92Å
88	L	94.9	Very high	91.5	Very high	0 Å²	0	70.5 Å²	70.5	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-66.8	-37.4	175.1	-68	174.5	0	0	0	111.8	F31 W34 T70 F80 I84 C85 R91 L92	F31-L88 HydrophobicContact CD1-CB 4.47Å; F31-L88 HydrophobicContact CD1-CD1 4.34Å; F31-L88 HydrophobicContact CD1-CD2 4.11Å; F31-L88 HydrophobicContact CD2-CD1 4.4Å; F31-L88 HydrophobicContact CE1-CB 4.23Å; F31-L88 HydrophobicContact CG-CD1 4.23Å; F31-L88 HydrophobicContact CG-CD2 4.49Å; W34-L88 HydrophobicContact CB-CD2 3.95Å; W34-L88 HydrophobicContact CE3-CD2 3.91Å; T70-L88 HydrophobicContact CG2-CB 3.72Å; F80-L88 HydrophobicContact CD1-CD1 4.15Å; F80-L88 HydrophobicContact CE1-CD1 3.59Å; I84-L88 HydrophobicContact CG2-CD1 3.9Å; I84-L88 HydrophobicContact CG2-CG 4.31Å; I84-L88 VanDerWaalsContact O-CG 3.29Å; I84-L88 WeakPolarHBondContact O-CG 3.42Å; I84-L88 PolarHBondContact O-N 3.02Å; C85-L88 CarbonylContact O-C 3.58Å; C85-L88 PolarHBondContact O-N 3.23Å; C85-L88 VanDerWaalsContact O-N 3.15Å; L88-R91 PolarHBondContact O-N 3.18Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 PolarHBondContact O-N 3.12Å
89	D	94.9	Very high	91.8	Very high	65 Å²	65	71.7 Å²	71.7	35%	0.348	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-47.1	175	-78.5	-40	0	0	0	111.1	T70 C85 R91 L92 E93	T70-D89 VanDerWaalsContact CB-OD1 3.26Å; T70-D89 WeakPolarHBondContact CB-OD1 3.45Å; T70-D89 WeakPolarHBondContact CG2-OD1 3.47Å; T70-D89 PolarHBondContact OG1-OD1 3.03Å; T70-D89 PolarHBondContact OG1-OD2 3.13Å; T70-D89 VanDerWaalsContact OG1-OD2 3.11Å; C85-D89 WeakPolarHBondContact O-CB 3.48Å; C85-D89 PolarHBondContact O-N 3.35Å; C85-D89 VanDerWaalsContact O-OD2 3.11Å; D89-R91 VanDerWaalsContact C-N 3.32Å; D89-R91 PolarHBondContact O-N 3.44Å; D89-L92 PolarHBondContact O-N 3.01Å; D89-E93 WeakPolarHBondContact O-CB 3.46Å; D89-E93 PolarHBondContact O-N 3.06Å
90	K	93.8	Very high	91.8	Very high	134 Å²	134	68.3 Å²	68.3	58%	0.583	35%	0.349	S	S	*	.	H	α-helix	trans	-58.8	-43.7	176.9	-174.7	-177.3	178.7	-173.9	0	111.8	A86 E87 V94	A86-K90 PolarHBondContact O-N 3.49Å; A86-K90 VanDerWaalsContact O-N 3.11Å; E87-K90 PolarHBondContact O-N 3.11Å; K90-V94 WeakPolarHBondContact O-CG2 3.4Å; K90-V94 PolarHBondContact O-N 3.23Å
91	R	94	Very high	91.6	Very high	40 Å²	40	74.9 Å²	74.9	15%	0.151	38%	0.377	C	S	.	.	H	α-helix	trans	-69.5	-37.3	177.5	-70.2	-176.6	177.6	-140.5	-3.6	112.1	W34 E37 E41 E87 L88 D89 V94 F95	W34-R91 HydrophobicContact CD2-CB 3.86Å; W34-R91 HydrophobicContact CE3-CB 3.84Å; W34-R91 HydrophobicContact CG-CB 4.46Å; W34-R91 HydrophobicContact CH2-CB 4.21Å; W34-R91 HydrophobicContact CZ2-CB 4.2Å; W34-R91 HydrophobicContact CZ3-CB 4.02Å; E37-R91 IonicContact OE2-CZ 2.89Å; E37-R91 IonicContact OE2-NH1 2.76Å; E37-R91 PolarHBondContact OE2-NH1 3.3Å; E41-R91 IonicContact OE1-NH2 3.33Å; E41-R91 PolarHBondContact OE1-NH2 2.72Å; E41-R91 VanDerWaalsContact OE1-NH2 3.11Å; E87-R91 WeakPolarHBondContact O-CG 3.38Å; E87-R91 PolarHBondContact O-N 3.36Å; E87-R91 VanDerWaalsContact O-N 3.13Å; E87-R91 IonicContact OE1-NE 2.92Å; L88-R91 PolarHBondContact O-N 3.18Å; D89-R91 VanDerWaalsContact C-N 3.32Å; D89-R91 PolarHBondContact O-N 3.44Å; R91-V94 PolarHBondContact O-N 3.11Å; R91-F95 WeakPolarHBondContact O-CB 3.4Å; R91-F95 PolarHBondContact O-N 3.23Å
92	L	93.9	Very high	91.7	Very high	7 Å²	7	73.9 Å²	73.9	4%	0.037	36%	0.364	C	S	.	.	H	α-helix	trans	-66.3	-37.7	176.9	-173.3	60.8	0	0	0	112.2	L27 F31 W34 L88 D89 F95 R96 P102	L27-L92 HydrophobicContact CD1-CD1 3.53Å; L27-L92 HydrophobicContact CD1-CD2 4.03Å; L27-L92 HydrophobicContact CD1-CG 4.44Å; F31-L92 HydrophobicContact CE1-CD2 4.48Å; W34-L92 HydrophobicContact CH2-CB 4.12Å; W34-L92 HydrophobicContact CH2-CD1 4.01Å; W34-L92 HydrophobicContact CZ3-CB 4Å; W34-L92 HydrophobicContact CZ3-CD1 4.28Å; L88-L92 WeakPolarHBondContact O-CB 3.42Å; L88-L92 PolarHBondContact O-N 3.12Å; D89-L92 PolarHBondContact O-N 3.01Å; L92-F95 PolarHBondContact O-N 3.16Å; L92-R96 WeakPolarHBondContact O-CB 3.1Å; L92-R96 VanDerWaalsContact O-CG 3.3Å; L92-R96 WeakPolarHBondContact O-CG 3.3Å; L92-R96 PolarHBondContact O-N 3.28Å; L92-P102 HydrophobicContact CD1-CG 3.84Å
93	E	92.9	Very high	91.6	Very high	131 Å²	131	73.8 Å²	73.8	61%	0.612	36%	0.357	S	S	*	.	H	α-helix	trans	-64.4	-46.6	174.2	-172.7	170.2	-153.6	0	0	111.4	D89 F95 R96 L97	D89-E93 WeakPolarHBondContact O-CB 3.46Å; D89-E93 PolarHBondContact O-N 3.06Å; E93-F95 VanDerWaalsContact C-N 3.34Å; E93-F95 PolarHBondContact O-N 3.29Å; E93-R96 PolarHBondContact O-N 3Å; E93-L97 HydrophobicContact CG-CD1 4.5Å; E93-L97 WeakPolarHBondContact O-CG 3.42Å; E93-L97 PolarHBondContact O-N 3.42Å
94	V	92.1	Very high	91.2	Very high	71 Å²	71	66.5 Å²	66.5	43%	0.43	34%	0.335	S	S	.	.	H	α-helix	trans	-60.4	-43.1	174.7	173.9	0	0	0	0	111.5	K90 R91 L97 Q98	K90-V94 WeakPolarHBondContact O-CG2 3.4Å; K90-V94 PolarHBondContact O-N 3.23Å; R91-V94 PolarHBondContact O-N 3.11Å; V94-L97 PolarHBondContact O-N 2.99Å; V94-Q98 PolarHBondContact O-N 2.65Å
95	F	93.2	Very high	90.8	Very high	4 Å²	4	73.9 Å²	73.9	2%	0.018	37%	0.369	C	S	.	.	H	α-helix	trans	-61.7	-45.4	176.6	-176.9	-83.6	0	0	0	111.5	L30 W34 R91 L92 E93 L97 Q98 Y99 P102 V107 Y110	L30-F95 HydrophobicContact CD1-CD1 4.09Å; L30-F95 HydrophobicContact CD1-CD2 4.24Å; L30-F95 HydrophobicContact CD1-CE1 4.04Å; L30-F95 HydrophobicContact CD1-CE2 4.17Å; L30-F95 HydrophobicContact CD1-CG 4.2Å; L30-F95 HydrophobicContact CD1-CZ 4.08Å; L30-F95 HydrophobicContact CD2-CD2 4Å; L30-F95 HydrophobicContact CD2-CE2 3.73Å; L30-F95 HydrophobicContact CD2-CZ 4.28Å; W34-F95 HydrophobicContact CH2-CB 4.1Å; W34-F95 HydrophobicContact CZ2-CB 3.97Å; W34-F95 HydrophobicContact CZ2-CD2 4.22Å; W34-F95 HydrophobicContact CZ2-CG 4.31Å; R91-F95 WeakPolarHBondContact O-CB 3.4Å; R91-F95 PolarHBondContact O-N 3.23Å; L92-F95 PolarHBondContact O-N 3.16Å; E93-F95 VanDerWaalsContact C-N 3.34Å; E93-F95 PolarHBondContact O-N 3.29Å; F95-L97 VanDerWaalsContact C-N 3.3Å; F95-L97 PolarHBondContact O-N 3.44Å; F95-Q98 PolarHBondContact O-N 3.35Å; F95-Q98 VanDerWaalsContact O-N 3.16Å; F95-Y99 AromaticContact CD2-CD2 3.88Å; F95-Y99 HydrophobicContact CD2-CD2 3.88Å; F95-Y99 AromaticContact CE2-CD2 3.91Å; F95-Y99 HydrophobicContact CE2-CD2 3.91Å; F95-Y99 HydrophobicContact CE2-CG 4.21Å; F95-Y99 HydrophobicContact CG-CD2 4.34Å; F95-Y99 HydrophobicContact CZ-CD2 4.37Å; F95-Y99 HydrophobicContact CZ-CG 4.27Å; F95-Y99 PolarHBondContact O-N 2.98Å; F95-P102 HydrophobicContact CD1-CG 4.24Å; F95-P102 HydrophobicContact CE1-CB 4.34Å; F95-P102 HydrophobicContact CE1-CG 4.17Å; F95-V107 HydrophobicContact CE1-CG2 4.44Å; F95-V107 HydrophobicContact CZ-CG2 3.9Å; F95-Y110 HydrophobicContact CD2-CD1 4.18Å; F95-Y110 HydrophobicContact CD2-CD2 4.11Å; F95-Y110 HydrophobicContact CD2-CE1 4.42Å; F95-Y110 HydrophobicContact CD2-CE2 4.36Å; F95-Y110 HydrophobicContact CD2-CG 4.01Å; F95-Y110 AromaticContact CE2-CD1 3.86Å; F95-Y110 HydrophobicContact CE2-CD1 3.86Å; F95-Y110 HydrophobicContact CE2-CD2 4.03Å; F95-Y110 AromaticContact CE2-CG 3.57Å; F95-Y110 HydrophobicContact CE2-CG 3.57Å
96	R	92.8	Very high	90.6	Very high	103 Å²	103	75 Å²	75	39%	0.389	38%	0.375	S	S	.	.	H	α-helix	trans	-62.6	-36.2	179.4	-78.2	175.8	173.1	178.5	-0.8	112.8	L92 E93 G100 F101	L92-R96 WeakPolarHBondContact O-CB 3.1Å; L92-R96 VanDerWaalsContact O-CG 3.3Å; L92-R96 WeakPolarHBondContact O-CG 3.3Å; L92-R96 PolarHBondContact O-N 3.28Å; E93-R96 PolarHBondContact O-N 3Å; R96-G100 WeakPolarHBondContact CA-O 3.39Å; R96-G100 VanDerWaalsContact O-CA 3.27Å; R96-G100 WeakPolarHBondContact O-CA 3.48Å; R96-G100 PolarHBondContact O-N 3.04Å; R96-G100 VanDerWaalsContact O-N 3.07Å; R96-F101 VanDerWaalsContact NH2-CE2 3.34Å
97	L	90.7	Very high	90.4	Very high	144 Å²	144	72.5 Å²	72.5	75%	0.754	35%	0.353	S	S	*	.	H	α-helix	trans	-67.7	-33.1	175.4	-72.3	169.4	0	0	0	113	E93 V94 F95	E93-L97 HydrophobicContact CG-CD1 4.5Å; E93-L97 WeakPolarHBondContact O-CG 3.42Å; E93-L97 PolarHBondContact O-N 3.42Å; V94-L97 PolarHBondContact O-N 2.99Å; F95-L97 VanDerWaalsContact C-N 3.3Å; F95-L97 PolarHBondContact O-N 3.44Å
98	Q	89	Confident	90.1	Very high	130 Å²	130	73.5 Å²	73.5	61%	0.607	36%	0.358	S	S	*	.	H	α-helix	trans	-92.2	-37.2	-176.4	-70.3	-177.1	-4.2	0	0	114.1	V94 F95	V94-Q98 PolarHBondContact O-N 2.65Å; F95-Q98 PolarHBondContact O-N 3.35Å; F95-Q98 VanDerWaalsContact O-N 3.16Å
99	Y	88.9	Confident	89.6	Confident	93 Å²	93	75.3 Å²	75.3	37%	0.365	38%	0.377	S	S	.	.	H	α-helix	trans	-124.6	-1.9	-169.7	-59.4	-84.4	0	0	0	113.9	F95 N106 Y110	F95-Y99 AromaticContact CD2-CD2 3.88Å; F95-Y99 HydrophobicContact CD2-CD2 3.88Å; F95-Y99 AromaticContact CE2-CD2 3.91Å; F95-Y99 HydrophobicContact CE2-CD2 3.91Å; F95-Y99 HydrophobicContact CE2-CG 4.21Å; F95-Y99 HydrophobicContact CG-CD2 4.34Å; F95-Y99 HydrophobicContact CZ-CD2 4.37Å; F95-Y99 HydrophobicContact CZ-CG 4.27Å; F95-Y99 PolarHBondContact O-N 2.98Å; Y99-N106 PolarHBondContact O-ND2 2.88Å; Y99-Y110 HydrophobicContact CD2-CD2 4.24Å; Y99-Y110 AromaticContact CE2-CD2 3.57Å; Y99-Y110 HydrophobicContact CE2-CD2 3.57Å; Y99-Y110 HydrophobicContact CE2-CE2 4.18Å; Y99-Y110 HydrophobicContact CE2-CG 4.49Å; Y99-Y110 AromaticContact CZ-CD2 3.83Å
100	G	88.6	Confident	89.4	Confident	32 Å²	32	73.6 Å²	73.6	33%	0.33	37%	0.366	S	S	.	.			trans	78.3	-164	-174.7	0	0	0	0	0	113.8	R96	R96-G100 WeakPolarHBondContact CA-O 3.39Å; R96-G100 VanDerWaalsContact O-CA 3.27Å; R96-G100 WeakPolarHBondContact O-CA 3.48Å; R96-G100 PolarHBondContact O-N 3.04Å; R96-G100 VanDerWaalsContact O-N 3.07Å
101	F	86.5	Confident	89.1	Confident	148 Å²	148	68.9 Å²	68.9	65%	0.649	35%	0.347	S	S	*	.	S	Bend	trans	-64.5	137.9	-178.1	-156.2	-89.2	0	0	0	111	R96 T103 N106	R96-F101 VanDerWaalsContact NH2-CE2 3.34Å; F101-T103 PolarHBondContact O-N 3.16Å; F101-T103 VanDerWaalsContact O-N 3.12Å; F101-N106 PolarHBondContact O-ND2 3.11Å
102	P	87.3	Confident	88.6	Confident	14 Å²	14	74 Å²	74	9%	0.091	37%	0.37	C	S	.	.			trans	-59	116.7	-176.8	-25.1	34.1	0	0	0	113.2	P26 L27 L30 L92 F95 V107	P26-P102 HydrophobicContact CB-CB 4.2Å; L27-P102 HydrophobicContact CD1-CG 4.26Å; L30-P102 HydrophobicContact CD1-CB 3.95Å; L30-P102 HydrophobicContact CD1-CG 3.99Å; L92-P102 HydrophobicContact CD1-CG 3.84Å; F95-P102 HydrophobicContact CD1-CG 4.24Å; F95-P102 HydrophobicContact CE1-CB 4.34Å; F95-P102 HydrophobicContact CE1-CG 4.17Å; P102-V107 HydrophobicContact CB-CG2 4.09Å
103	T	86.7	Confident	87.9	Confident	66 Å²	66	75.9 Å²	75.9	41%	0.405	38%	0.384	S	S	.	.			trans	-121.3	164.5	171.3	63.9	0	0	0	0	109.1	F101 E105 N106 V107	F101-T103 PolarHBondContact O-N 3.16Å; F101-T103 VanDerWaalsContact O-N 3.12Å; T103-E105 PolarHBondContact O-N 3.09Å; T103-N106 PolarHBondContact N-OD1 3.46Å; T103-N106 PolarHBondContact O-OD1 3.21Å; T103-N106 VanDerWaalsContact OG1-CG 3.28Å; T103-N106 PolarHBondContact OG1-N 2.7Å; T103-N106 PolarHBondContact OG1-OD1 3.03Å; T103-V107 VanDerWaalsContact O-CB 3.3Å; T103-V107 WeakPolarHBondContact O-CB 3.37Å; T103-V107 WeakPolarHBondContact O-CG2 3.29Å; T103-V107 PolarHBondContact O-N 3.18Å; T103-V107 VanDerWaalsContact O-N 3.1Å
104	L	84	Confident	87.1	Confident	76 Å²	76	72.6 Å²	72.6	40%	0.398	37%	0.369	S	S	.	.	H	α-helix	trans	-59.4	-39.3	179.5	-76.6	174.6	0	0	0	112.1	I24 P26 Q108	I24-L104 HydrophobicContact CB-CD2 4.01Å; I24-L104 HydrophobicContact CG2-CD2 3.71Å; I24-L104 WeakPolarHBondContact O-CD2 3.39Å; P26-L104 HydrophobicContact CG-CD2 3.84Å; P26-L104 HydrophobicContact CG-CG 3.85Å; L104-Q108 VanDerWaalsContact O-CB 3.27Å; L104-Q108 WeakPolarHBondContact O-CB 3.39Å; L104-Q108 WeakPolarHBondContact O-CG 3.38Å; L104-Q108 PolarHBondContact O-N 3.36Å
105	E	84.3	Confident	85.7	Confident	165 Å²	165	73.3 Å²	73.3	77%	0.771	38%	0.377	S	S	*	.	H	α-helix	trans	-66.9	-51.8	-178.3	-67.1	177.5	-179.2	0	0	112.4	T103 V107 Q108 G109	T103-E105 PolarHBondContact O-N 3.09Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.95Å; E105-Q108 PolarHBondContact O-N 2.78Å; E105-G109 PolarHBondContact O-N 2.89Å
106	N	89.7	Confident	83.7	Confident	28 Å²	28	82.2 Å²	82.2	15%	0.15	42%	0.416	C	S	.	.	H	α-helix	trans	-69.6	-33.6	-177.4	71.8	8	0	0	0	112	Y99 F101 T103 G109 Y110	Y99-N106 PolarHBondContact O-ND2 2.88Å; F101-N106 PolarHBondContact O-ND2 3.11Å; T103-N106 PolarHBondContact N-OD1 3.46Å; T103-N106 PolarHBondContact O-OD1 3.21Å; T103-N106 VanDerWaalsContact OG1-CG 3.28Å; T103-N106 PolarHBondContact OG1-N 2.7Å; T103-N106 PolarHBondContact OG1-OD1 3.03Å; N106-G109 PolarHBondContact O-N 3.42Å; N106-Y110 WeakPolarHBondContact O-CB 3.48Å; N106-Y110 PolarHBondContact O-N 2.84Å
107	V	88	Confident	81.4	Confident	4 Å²	4	83.8 Å²	83.8	2%	0.024	43%	0.432	C	S	.	.	H	α-helix	trans	-67.5	-45.8	174.7	171.8	0	0	0	0	110.4	P26 K29 L30 F95 P102 T103 E105 G109 Y110 L111	P26-V107 HydrophobicContact CB-CG2 3.92Å; K29-V107 HydrophobicContact CB-CG1 4.15Å; L30-V107 HydrophobicContact CD1-CG2 3.66Å; L30-V107 HydrophobicContact CD2-CB 4.39Å; L30-V107 HydrophobicContact CD2-CG1 3.82Å; L30-V107 HydrophobicContact CD2-CG2 3.98Å; L30-V107 HydrophobicContact CG-CB 4.36Å; L30-V107 HydrophobicContact CG-CG1 3.83Å; L30-V107 HydrophobicContact CG-CG2 3.62Å; F95-V107 HydrophobicContact CE1-CG2 4.44Å; F95-V107 HydrophobicContact CZ-CG2 3.9Å; P102-V107 HydrophobicContact CB-CG2 4.09Å; T103-V107 VanDerWaalsContact O-CB 3.3Å; T103-V107 WeakPolarHBondContact O-CB 3.37Å; T103-V107 WeakPolarHBondContact O-CG2 3.29Å; T103-V107 PolarHBondContact O-N 3.18Å; T103-V107 VanDerWaalsContact O-N 3.1Å; E105-V107 VanDerWaalsContact C-N 3.34Å; E105-V107 PolarHBondContact O-N 2.95Å; V107-G109 VanDerWaalsContact C-N 3.35Å; V107-G109 PolarHBondContact O-N 3.48Å; V107-Y110 PolarHBondContact O-N 3.43Å; V107-L111 HydrophobicContact CG1-CD1 3.84Å; V107-L111 HydrophobicContact CG1-CG 4.25Å; V107-L111 WeakPolarHBondContact O-CB 3.21Å; V107-L111 VanDerWaalsContact O-CG 3.23Å; V107-L111 WeakPolarHBondContact O-CG 3.38Å; V107-L111 PolarHBondContact O-N 2.87Å
108	Q	85.2	Confident	78.9	Confident	88 Å²	88	81.9 Å²	81.9	41%	0.411	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-41.4	176.1	-75.9	177	4.9	0	0	112	L104 E105 L111 K112	L104-Q108 VanDerWaalsContact O-CB 3.27Å; L104-Q108 WeakPolarHBondContact O-CB 3.39Å; L104-Q108 WeakPolarHBondContact O-CG 3.38Å; L104-Q108 PolarHBondContact O-N 3.36Å; E105-Q108 PolarHBondContact O-N 2.78Å; Q108-L111 PolarHBondContact O-N 3.23Å; Q108-K112 WeakPolarHBondContact O-CB 3.23Å; Q108-K112 VanDerWaalsContact O-CG 3.29Å; Q108-K112 WeakPolarHBondContact O-CG 3.48Å; Q108-K112 PolarHBondContact O-N 2.8Å
109	G	86.1	Confident	76	Confident	39 Å²	39	79.1 Å²	79.1	40%	0.402	43%	0.433	S	S	.	.	H	α-helix	trans	-59.5	-46.9	174.4	0	0	0	0	0	112.2	E105 N106 V107 K112 S113	E105-G109 PolarHBondContact O-N 2.89Å; N106-G109 PolarHBondContact O-N 3.42Å; V107-G109 VanDerWaalsContact C-N 3.35Å; V107-G109 PolarHBondContact O-N 3.48Å; G109-K112 PolarHBondContact O-N 3.2Å; G109-S113 PolarHBondContact O-N 3.08Å
110	Y	90.1	Very high	73.2	Confident	28 Å²	28	81.6 Å²	81.6	11%	0.11	45%	0.451	C	S	.	.	H	α-helix	trans	-60.3	-49.9	175.3	172.8	-101.5	0	0	0	112.1	L30 W34 F95 Y99 N106 V107 K112 S113 Q114	L30-Y110 HydrophobicContact CD2-CD1 3.81Å; L30-Y110 HydrophobicContact CD2-CE1 4.07Å; W34-Y110 AromaticContact NE1-CE1 3.76Å; W34-Y110 AromaticContact NE1-CZ 3.91Å; W34-Y110 PolarHBondContact NE1-OH 3.01Å; F95-Y110 HydrophobicContact CD2-CD1 4.18Å; F95-Y110 HydrophobicContact CD2-CD2 4.11Å; F95-Y110 HydrophobicContact CD2-CE1 4.42Å; F95-Y110 HydrophobicContact CD2-CE2 4.36Å; F95-Y110 HydrophobicContact CD2-CG 4.01Å; F95-Y110 AromaticContact CE2-CD1 3.86Å; F95-Y110 HydrophobicContact CE2-CD1 3.86Å; F95-Y110 HydrophobicContact CE2-CD2 4.03Å; F95-Y110 AromaticContact CE2-CG 3.57Å; F95-Y110 HydrophobicContact CE2-CG 3.57Å; Y99-Y110 HydrophobicContact CD2-CD2 4.24Å; Y99-Y110 AromaticContact CE2-CD2 3.57Å; Y99-Y110 HydrophobicContact CE2-CD2 3.57Å; Y99-Y110 HydrophobicContact CE2-CE2 4.18Å; Y99-Y110 HydrophobicContact CE2-CG 4.49Å; Y99-Y110 AromaticContact CZ-CD2 3.83Å; N106-Y110 WeakPolarHBondContact O-CB 3.48Å; N106-Y110 PolarHBondContact O-N 2.84Å; V107-Y110 PolarHBondContact O-N 3.43Å; Y110-K112 VanDerWaalsContact C-N 3.31Å; Y110-K112 PolarHBondContact O-N 3.01Å; Y110-S113 WeakPolarHBondContact O-CB 3.34Å; Y110-S113 PolarHBondContact O-N 3.02Å; Y110-S113 PolarHBondContact O-OG 2.93Å; Y110-Q114 HydrophobicContact CD1-CG 4.36Å; Y110-Q114 HydrophobicContact CD2-CG 4.31Å; Y110-Q114 HydrophobicContact CE1-CG 3.98Å; Y110-Q114 HydrophobicContact CE2-CG 3.93Å; Y110-Q114 WeakPolarHBondContact O-CG 3.48Å; Y110-Q114 PolarHBondContact O-N 3.31Å
111	L	86.7	Confident	70.2	Confident	36 Å²	36	84.7 Å²	84.7	19%	0.188	47%	0.466	C	S	.	.	H	α-helix	trans	-62	-37.6	-179.6	-67.4	173.9	0	0	0	112.5	K29 H33 V107 Q108 Q114 S115	K29-L111 HydrophobicContact CB-CD1 4.45Å; H33-L111 HydrophobicContact CB-CD2 3.53Å; H33-L111 WeakPolarHBondContact CD2-CD2 3.39Å; V107-L111 HydrophobicContact CG1-CD1 3.84Å; V107-L111 HydrophobicContact CG1-CG 4.25Å; V107-L111 WeakPolarHBondContact O-CB 3.21Å; V107-L111 VanDerWaalsContact O-CG 3.23Å; V107-L111 WeakPolarHBondContact O-CG 3.38Å; V107-L111 PolarHBondContact O-N 2.87Å; Q108-L111 PolarHBondContact O-N 3.23Å; L111-Q114 PolarHBondContact O-N 3.35Å; L111-S115 PolarHBondContact O-N 3.39Å; L111-S115 VanDerWaalsContact O-N 3.09Å; L111-S115 PolarHBondContact O-OG 3.03Å
112	K	83.4	Confident	67.4	Low	147 Å²	147	83 Å²	83	64%	0.639	47%	0.471	S	S	*	.	H	α-helix	trans	-64.6	-38.7	172.9	-74.8	175.7	-178.9	178.8	0	111.9	Q108 G109 Y110	Q108-K112 WeakPolarHBondContact O-CB 3.23Å; Q108-K112 VanDerWaalsContact O-CG 3.29Å; Q108-K112 WeakPolarHBondContact O-CG 3.48Å; Q108-K112 PolarHBondContact O-N 2.8Å; G109-K112 PolarHBondContact O-N 3.2Å; Y110-K112 VanDerWaalsContact C-N 3.31Å; Y110-K112 PolarHBondContact O-N 3.01Å
113	S	80.9	Confident	64.6	Low	47 Å²	47	89.6 Å²	89.6	33%	0.329	51%	0.505	S	S	.	.	H	α-helix	trans	-67.7	-36.4	177.2	77.6	0	0	0	0	112.8	G109 Y110	G109-S113 PolarHBondContact O-N 3.08Å; Y110-S113 WeakPolarHBondContact O-CB 3.34Å; Y110-S113 PolarHBondContact O-N 3.02Å; Y110-S113 PolarHBondContact O-OG 2.93Å
114	Q	75.9	Confident	61.9	Low	61 Å²	61	91.5 Å²	91.5	29%	0.285	52%	0.516	S	S	.	.	H	α-helix	trans	-73.5	-36.3	178.9	-63.3	-56.6	-47	0	0	112.2	Y110 L111 K116 N117	Y110-Q114 HydrophobicContact CD1-CG 4.36Å; Y110-Q114 HydrophobicContact CD2-CG 4.31Å; Y110-Q114 HydrophobicContact CE1-CG 3.98Å; Y110-Q114 HydrophobicContact CE2-CG 3.93Å; Y110-Q114 WeakPolarHBondContact O-CG 3.48Å; Y110-Q114 PolarHBondContact O-N 3.31Å; L111-Q114 PolarHBondContact O-N 3.35Å; Q114-K116 PolarHBondContact O-N 2.6Å; Q114-N117 PolarHBondContact O-N 3.37Å; Q114-N117 VanDerWaalsContact O-N 3.08Å
115	S	61.7	Low	59.2	Low	87 Å²	87	93.7 Å²	93.7	61%	0.608	53%	0.528	S	S	*	.	H	α-helix	trans	-63.9	-21.1	178.6	-68	0	0	0	0	113.8	L111 N117	L111-S115 PolarHBondContact O-N 3.39Å; L111-S115 VanDerWaalsContact O-N 3.09Å; L111-S115 PolarHBondContact O-OG 3.03Å; S115-N117 VanDerWaalsContact C-N 3.25Å; S115-N117 PolarHBondContact O-N 3.18Å
116	K	51.4	Low	56.8	Low	190 Å²	190	94.7 Å²	94.7	83%	0.826	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-11	175.4	-71.8	-171.7	177.9	-175.4	0	113.8	Q114	Q114-K116 PolarHBondContact O-N 2.6Å
117	N	43.5	Very low	53.9	Low	137 Å²	137	101.4 Å²	101.4	73%	0.733	57%	0.569	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.3	-3.1	-172.2	-86	-31.6	0	0	0	116.2	Q114 S115	Q114-N117 PolarHBondContact O-N 3.37Å; Q114-N117 VanDerWaalsContact O-N 3.08Å; S115-N117 VanDerWaalsContact C-N 3.25Å; S115-N117 PolarHBondContact O-N 3.18Å
118	V	39.1	Very low	51.4	Low	103 Å²	103	108.4 Å²	108.4	62%	0.624	61%	0.605	S	S	*	*	S	Bend	trans	-145.8	115	175.6	-173.3	0	0	0	0	109.4	L120	V118-L120 PolarHBondContact O-N 2.89Å
119	G	28.2	Very low	48.9	Very low	73 Å²	73	112.2 Å²	112.2	75%	0.753	62%	0.623	S	S	*	*			trans	-57.1	107.3	170.3	0	0	0	0	0	109.5	P121	G119-P121 WeakPolarHBondContact O-CD 3.31Å
120	L	30.5	Very low	46.3	Very low	144 Å²	144	119.3 Å²	119.3	75%	0.754	64%	0.643	S	S	*	*			trans	-69.7	114.9	-177.6	-154.2	79.6	0	0	0	108.7	V118 C122	V118-L120 PolarHBondContact O-N 2.89Å; L120-C122 PolarHBondContact O-N 3.04Å
121	P	25.3	Very low	43.4	Very low	98 Å²	98	129 Å²	129	64%	0.636	68%	0.679	S	S	*	*			trans	-75.2	110.5	168.5	-7.4	26.1	0	0	0	107.3	G119 L123	G119-P121 WeakPolarHBondContact O-CD 3.31Å; P121-L123 PolarHBondContact O-N 3.09Å
122	C	26.9	Very low	40.7	Very low	111 Å²	111	132.3 Å²	132.3	75%	0.75	71%	0.705	S	S	*	*			trans	-55.8	107	158.9	175.5	0	0	0	0	108	L120	L120-C122 PolarHBondContact O-N 3.04Å
123	L	29.6	Very low	38.3	Very low	154 Å²	154	131.2 Å²	131.2	81%	0.806	71%	0.711	S	S	*	*			trans	-114.9	64.3	170.1	-81.6	172.6	0	0	0	109.4	P121	P121-L123 PolarHBondContact O-N 3.09Å
124	V	30.5	Very low	35.9	Very low	106 Å²	106	134.7 Å²	134.7	64%	0.642	73%	0.73	S	S	*	*	S	Bend	trans	-143.3	124.1	152.8	-175.4	0	0	0	0	106.9
125	N	26.8	Very low	33.8	Very low	122 Å²	122	140.6 Å²	140.6	65%	0.652	76%	0.755	S	S	*	*	S	Bend	trans	71	88.2	176.4	-60.8	-11.5	0	0	0	117.1
126	Q	32.6	Very low	32.3	Very low	186 Å²	186	144.6 Å²	144.6	87%	0.869	76%	0.764	S	S	*	*			trans	-173.2	112.9	138.8	-102.2	162.9	48.1	0	0	108.8
127	N	30	Very low	31.5	Very low	168 Å²	168	144.3 Å²	144.3	90%	0.898	77%	0.766	S	S	*	*			trans	-179.5	67.9	138.6	-87.1	-27.1	0	0	0	108.7
128	L	34.6	Very low	31	Very low	152 Å²	152	141.5 Å²	141.5	80%	0.796	76%	0.762	S	S	*	*			trans	-103.6	126.1	146.1	-94.6	148.8	0	0	0	105.3
129	Q	33.3	Very low	30.6	Very low	167 Å²	167	142.4 Å²	142.4	78%	0.78	76%	0.763	S	S	*	*	S	Bend	trans	88.4	93.3	164.5	-49.9	-168.8	10.1	0	0	119.6
130	K	31.6	Very low	30.8	Very low	188 Å²	188	145.9 Å²	145.9	82%	0.817	76%	0.76	S	S	*	*				63.1	113.8	118.2	-71.4	177.5	179.2	175.4	0	120.7
131	R	28.2	Very low	30.9	Very low	231 Å²	231	146.5 Å²	146.5	87%	0.872	76%	0.759	S	S	*	*				74.5	140.6	123.5	-87.7	-177.6	169.2	178	-4.1	121.1
132	S	31.5	Very low	31.2	Very low	106 Å²	106	146.6 Å²	146.6	74%	0.741	76%	0.757	S	S	*	*			trans	69.2	136	159.5	43.3	0	0	0	0	116.7
133	T	33.3	Very low	31.3	Very low	124 Å²	124	146.8 Å²	146.8	76%	0.761	76%	0.756	S	S	*	*			cis	-173	134.5	12.2	17.1	0	0	0	0	108.4
134	V	29	Very low	31.5	Very low	121 Å²	121	147.5 Å²	147.5	73%	0.733	76%	0.755	S	S	*	*			trans	49.1	137.1	134.1	-158	0	0	0	0	122.3
135	K	32.4	Very low	31.4	Very low	185 Å²	185	148.5 Å²	148.5	80%	0.804	76%	0.761	S	S	*	*			trans	113.2	102.9	152.2	-62.1	-171.3	-179.6	-179.8	0	113.7
136	Q	30.5	Very low	31.6	Very low	170 Å²	170	154.1 Å²	154.1	79%	0.794	77%	0.773	S	S	*	*				82.2	134.8	66.9	-82.6	-168.7	-8.2	0	0	114.8
137	Q	34.8	Very low	31.5	Very low	184 Å²	184	153.4 Å²	153.4	86%	0.86	77%	0.77	S	S	*	*			trans	86.9	145.5	163.9	-61.4	169.9	-1.4	0	0	117.6
138	A	31.6	Very low	31.6	Very low	79 Å²	79	152.3 Å²	152.3	65%	0.653	77%	0.769	S	S	*	*			cis	-178.1	153.8	-19.8	0	0	0	0	0	106.9
139	N	31.4	Very low	31.5	Very low	121 Å²	121	156 Å²	156	65%	0.647	77%	0.772	S	S	*	*			trans	66.9	117.9	145.2	-76	21	0	0	0	120.9
140	E	32.5	Very low	31.1	Very low	146 Å²	146	156 Å²	156	68%	0.682	78%	0.777	S	S	*	*				89.2	139.2	96.1	-75	167.4	-178.4	0	0	108.8
141	E	32.8	Very low	31.2	Very low	158 Å²	158	152.8 Å²	152.8	74%	0.738	78%	0.775	S	S	*	*			cis	-176.2	166.3	23	-130.3	173.8	-167.7	0	0	109.4
142	T	32.1	Very low	31.5	Very low	99 Å²	99	145.8 Å²	145.8	61%	0.607	77%	0.767	S	S	*	*			trans	74.8	100.7	145.6	-49	0	0	0	0	120.2
143	T	27.5	Very low	31.3	Very low	116 Å²	116	146.9 Å²	146.9	71%	0.712	77%	0.769	S	S	*	*				71.7	117.6	81	-39.6	0	0	0	0	115
144	Q	34.7	Very low	31.3	Very low	169 Å²	169	148.5 Å²	148.5	79%	0.79	77%	0.771	S	S	*	*				162.5	106.8	126.1	-84.4	173.7	39	0	0	111
145	T	27.3	Very low	31.2	Very low	126 Å²	126	153.9 Å²	153.9	77%	0.773	78%	0.778	S	S	*	*				78.3	111.8	95.5	-43.5	0	0	0	0	114.3
146	R	32.7	Very low	31.2	Very low	241 Å²	241	151.4 Å²	151.4	91%	0.909	78%	0.779	S	S	*	*				-174.7	128.7	118.8	-151.6	161.4	171.3	178.6	-4	112.9
147	Q	29.8	Very low	30.9	Very low	170 Å²	170	153.3 Å²	153.3	79%	0.794	79%	0.785	S	S	*	*			trans	-79.7	145.2	174.3	-62.9	171	-13.5	0	0	111.5
148	V	32.3	Very low	30.9	Very low	145 Å²	145	150 Å²	150	88%	0.879	78%	0.781	S	S	*	*			trans	-141.4	139.1	147.1	-178.1	0	0	0	0	109.7
149	R	31.4	Very low	30.9	Very low	230 Å²	230	152.2 Å²	152.2	87%	0.868	79%	0.787	S	S	*	*			trans	-80.4	155.2	-166.6	-66.1	169.8	175.6	175.1	-3	114
150	L	26.8	Very low	30.7	Very low	168 Å²	168	156.5 Å²	156.5	88%	0.88	80%	0.8	S	S	*	*			trans	-69.2	165.5	164.9	-73.5	141.8	0	0	0	112.3
151	P	32.9	Very low	30.8	Very low	120 Å²	120	156.2 Å²	156.2	78%	0.779	81%	0.808	S	S	*	*				-147.8	153.6	109.9	34.9	-16.9	0	0	0	118
152	A	33.9	Very low	30.7	Very low	84 Å²	84	152.2 Å²	152.2	69%	0.694	81%	0.809	S	S	*	*			trans	51.7	108.9	136.7	0	0	0	0	0	123.6
153	T	27.4	Very low	30.7	Very low	129 Å²	129	153.5 Å²	153.5	79%	0.791	82%	0.822	S	S	*	*				37	113.4	121.5	-30.4	0	0	0	0	120.7
154	I	34.5	Very low	30.8	Very low	158 Å²	158	151.3 Å²	151.3	81%	0.81	82%	0.822	S	S	*	*			trans	-126.6	122.8	149.4	-63.5	177.8	0	0	0	109	T156	I154-T156 HydrophobicContact CG2-CG2 4.49Å
155	R	25.6	Very low	30.8	Very low	233 Å²	233	149.9 Å²	149.9	88%	0.879	83%	0.825	S	S	*	*			trans	-83.5	128.7	170.1	-82.3	170.2	132.6	176.6	-2.3	108.9
156	T	32.3	Very low	30.9	Very low	133 Å²	133	151.1 Å²	151.1	82%	0.816	83%	0.832	S	S	*	*			trans	-133.8	125	157.5	43.2	0	0	0	0	110.5	I154	I154-T156 HydrophobicContact CG2-CG2 4.49Å
157	K	25.1	Very low	31	Very low	211 Å²	211	144 Å²	144	92%	0.917	83%	0.825	S	S	*	*			trans	-79.2	135.7	171.7	-65.7	172.1	175.4	175.9	0	107.9
158	S	33.5	Very low	31.3	Very low	113 Å²	113	141.4 Å²	141.4	79%	0.79	83%	0.826	S	S	*	*			trans	-159.6	113.7	146.5	-151.9	0	0	0	0	113.1
159	V	32.9	Very low	31.2	Very low	127 Å²	127	146 Å²	146	77%	0.77	83%	0.827	S	S	*	*			trans	41.1	115.1	137.5	-168.4	0	0	0	0	119.5	V161	V159-V161 HydrophobicContact CG1-CG2 4.28Å
160	K	27.4	Very low	31.5	Very low	210 Å²	210	146.4 Å²	146.4	91%	0.913	83%	0.829	S	S	*	*			trans	-94.3	133.2	160.6	-76.1	-180	175.4	178.2	0	109.8
161	V	35	Very low	32	Very low	140 Å²	140	149.9 Å²	149.9	85%	0.848	83%	0.83	S	S	*	*			trans	-119.2	130.5	157.7	-178.7	0	0	0	0	107.4	V159	V159-V161 HydrophobicContact CG1-CG2 4.28Å
162	G	29.4	Very low	32.4	Very low	74 Å²	74	149.9 Å²	149.9	76%	0.763	83%	0.833	S	S	*	*			trans	-88.6	166.4	-160.8	0	0	0	0	0	116.2
163	S	33.3	Very low	33.6	Very low	127 Å²	127	154.9 Å²	154.9	89%	0.888	84%	0.842	S	S	*	*			trans	-151.3	125.6	141.8	-173.4	0	0	0	0	108.1
164	G	28.7	Very low	35.8	Very low	69 Å²	69	154.4 Å²	154.4	71%	0.711	84%	0.835	S	S	*	*			trans	-82.7	147.5	-167.3	0	0	0	0	0	113.6
165	T	34.5	Very low	38.3	Very low	140 Å²	140	150.7 Å²	150.7	86%	0.859	81%	0.811	S	S	*	*			trans	-148.2	139.4	139.3	34.1	0	0	0	0	108	A167	T165-A167 PolarHBondContact O-N 3.09Å
166	V	29.8	Very low	41.3	Very low	151 Å²	151	144 Å²	144	92%	0.915	80%	0.796	S	S	*	*			trans	-66.6	118.2	-160.7	177.1	0	0	0	0	112.1
167	A	35.7	Very low	44	Very low	93 Å²	93	137.9 Å²	137.9	77%	0.769	76%	0.759	S	S	*	*			trans	-105.3	112.6	168.8	0	0	0	0	0	109.9	T165 R169	T165-A167 PolarHBondContact O-N 3.09Å; A167-R169 PolarHBondContact O-N 3.36Å
168	S	34.5	Very low	47	Very low	114 Å²	114	134.8 Å²	134.8	80%	0.797	75%	0.745	S	S	*	*			trans	-57.8	120.9	175.7	176.8	0	0	0	0	111.6	R170	S168-R170 PolarHBondContact O-N 2.84Å
169	R	31.6	Very low	49.7	Very low	242 Å²	242	134.9 Å²	134.9	91%	0.913	73%	0.729	S	S	*	*			trans	-72.6	106.2	173.3	-78.3	178.3	171.7	176.4	-2.8	109.7	A167	A167-R169 PolarHBondContact O-N 3.36Å
170	R	37.4	Very low	52.4	Low	239 Å²	239	133 Å²	133	90%	0.902	71%	0.708	S	S	*	*			trans	-74.2	126.7	163	-79.3	-175	177.4	175.9	-1.1	109.6	S168	S168-R170 PolarHBondContact O-N 2.84Å
171	R	37.5	Very low	55.6	Low	240 Å²	240	124.6 Å²	124.6	91%	0.906	68%	0.676	S	S	*	*			trans	-58.2	137.3	174.5	-66.9	178.1	177.5	179.6	-1.5	110.1	Q173	R171-Q173 PolarHBondContact O-N 3.12Å; R171-Q173 VanDerWaalsContact O-N 3.13Å
172	S	41.4	Very low	58.4	Low	121 Å²	121	118.1 Å²	118.1	85%	0.846	64%	0.637	S	S	*	*			trans	-68.8	101	178.4	52.2	0	0	0	0	110.9
173	Q	58	Low	61.5	Low	189 Å²	189	114.6 Å²	114.6	88%	0.883	60%	0.601	S	S	*	*	P	Polyproline II helix	trans	-77.9	135.1	164.9	-81.6	178.9	-34.4	0	0	109.7	R171 Y175	R171-Q173 PolarHBondContact O-N 3.12Å; R171-Q173 VanDerWaalsContact O-N 3.13Å; Q173-Y175 PolarHBondContact O-N 2.78Å
174	D	74.4	Confident	64.5	Low	119 Å²	119	108.9 Å²	108.9	64%	0.636	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-59.5	132.2	173.1	-85.1	-48.3	0	0	0	110.8	V176 K258	D174-V176 PolarHBondContact O-N 2.93Å; D174-K258 IonicContact OD1-NZ 2.92Å; D174-K258 PolarHBondContact OD1-NZ 2.85Å
175	Y	86.3	Confident	67.7	Low	80 Å²	80	105.6 Å²	105.6	31%	0.314	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-70.9	124	-179.3	173	-112.9	0	0	0	111.4	Q173 P177 T236 L237 N240 M242	Q173-Y175 PolarHBondContact O-N 2.78Å; Y175-P177 HydrophobicContact CE1-CG 4.01Å; Y175-T236 HydrophobicContact CD1-CG2 3.98Å; Y175-T236 HydrophobicContact CE1-CG2 3.51Å; Y175-T236 HydrophobicContact CE2-CG2 4.17Å; Y175-L237 HydrophobicContact CE1-CD2 4.32Å; Y175-N240 WeakPolarHBondContact CB-OD1 3.46Å; Y175-N240 HydrophobicContact CD1-CB 4.14Å; Y175-N240 VanDerWaalsContact CD1-ND2 3.34Å; Y175-N240 WeakPolarHBondContact CD1-ND2 3.41Å; Y175-M242 HydrophobicContact CD1-CE 3.23Å; Y175-M242 HydrophobicContact CE1-CE 3.72Å; Y175-M242 HydrophobicContact CG-CE 4.27Å; Y175-M242 WeakPolarHBondContact O-CE 3.44Å
176	V	87.7	Confident	70.6	Confident	91 Å²	91	98.9 Å²	98.9	55%	0.552	49%	0.485	S	S	*	.			trans	-119.1	123	174.1	-177.4	0	0	0	0	109.3	D174 F266	D174-V176 PolarHBondContact O-N 2.93Å; V176-F266 HydrophobicContact CG1-CE1 3.98Å; V176-F266 HydrophobicContact CG1-CZ 3.84Å
177	P	89.1	Confident	73.7	Confident	6 Å²	6	91.7 Å²	91.7	4%	0.039	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-63.8	146.2	176.8	-24.6	35.4	0	0	0	113.4	Y175 F184 L187 L237 M242	Y175-P177 HydrophobicContact CE1-CG 4.01Å; P177-F184 HydrophobicContact CB-CB 4.24Å; P177-L187 HydrophobicContact CG-CD1 3.89Å; P177-L237 HydrophobicContact CG-CD2 3.85Å; P177-M242 HydrophobicContact CG-CE 4.32Å
178	K	88.6	Confident	76.3	Confident	146 Å²	146	88.9 Å²	88.9	64%	0.635	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-68.8	142.8	174.3	-171.9	-174.2	178.2	-171.1	0	110.1	R180 S181 F184	K178-R180 PolarHBondContact O-N 3.25Å; K178-S181 PolarHBondContact N-OG 2.77Å; K178-S181 WeakPolarHBondContact O-CB 3.49Å; K178-S181 PolarHBondContact O-N 2.61Å; K178-S181 VanDerWaalsContact O-N 3.13Å; K178-S181 PolarHBondContact O-OG 2.95Å; K178-F184 WeakPolarHBondContact O-CB 3.45Å
179	Y	90.9	Very high	79.1	Confident	115 Å²	115	83.5 Å²	83.5	45%	0.451	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.4	137.7	171.7	-175.1	-126.4	0	0	0	111.7	S181 F184 L270	Y179-S181 PolarHBondContact O-N 3.49Å; Y179-F184 HydrophobicContact CD2-CD1 4.36Å; Y179-F184 HydrophobicContact CD2-CD2 4.16Å; Y179-F184 AromaticContact CD2-CE1 3.86Å; Y179-F184 HydrophobicContact CD2-CE1 3.86Å; Y179-F184 AromaticContact CD2-CE2 3.62Å; Y179-F184 HydrophobicContact CD2-CE2 3.62Å; Y179-F184 AromaticContact CD2-CZ 3.49Å; Y179-F184 HydrophobicContact CD2-CZ 3.49Å; Y179-F184 VanDerWaalsContact CD2-CZ 3.49Å; Y179-F184 AromaticContact CE2-CE1 3.84Å; Y179-F184 HydrophobicContact CE2-CE1 3.84Å; Y179-F184 HydrophobicContact CE2-CE2 4.08Å; Y179-F184 AromaticContact CE2-CZ 3.49Å; Y179-F184 HydrophobicContact CE2-CZ 3.49Å; Y179-F184 VanDerWaalsContact CE2-CZ 3.49Å; Y179-L270 HydrophobicContact CE2-CD1 4.32Å; Y179-L270 HydrophobicContact CE2-CD2 3.68Å; Y179-L270 HydrophobicContact CE2-CG 4.42Å; Y179-L270 WeakPolarHBondContact OH-CD2 3.41Å
180	R	90	Very high	82.1	Confident	87 Å²	87	72.2 Å²	72.2	33%	0.328	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	13	-176.7	-56	-178.7	66.4	82.2	7.3	116.8	K178 F184 F214 C215 D216	K178-R180 PolarHBondContact O-N 3.25Å; R180-F184 VanDerWaalsContact N-CD1 3.34Å; R180-F214 WeakPolarHBondContact CA-O 3.38Å; R180-C215 WeakPolarHBondContact O-CA 3.4Å; R180-C215 PolarHBondContact O-SG 2.74Å; R180-C215 VanDerWaalsContact O-SG 3.35Å; R180-D216 WeakPolarHBondContact CB-OD2 3.46Å; R180-D216 WeakPolarHBondContact CD-OD2 3.47Å; R180-D216 IonicContact CZ-OD1 2.65Å; R180-D216 IonicContact NE-OD1 2.65Å; R180-D216 PolarHBondContact NE-OD1 3.27Å; R180-D216 IonicContact NE-OD2 3.64Å; R180-D216 PolarHBondContact NE-OD2 3.48Å; R180-D216 VanDerWaalsContact NE-OD2 3.11Å; R180-D216 IonicContact NH2-OD1 2.67Å; R180-D216 PolarHBondContact NH2-OD1 3.25Å; R180-D216 PolarHBondContact O-N 3.43Å
181	S	93.6	Very high	84.7	Confident	33 Å²	33	62.8 Å²	62.8	23%	0.231	30%	0.296	C	S	.	.	S	Bend	trans	-81.3	164.1	170.2	73.4	0	0	0	0	112.4	K178 Y179 G183 F184 A185 C215	K178-S181 PolarHBondContact N-OG 2.77Å; K178-S181 WeakPolarHBondContact O-CB 3.49Å; K178-S181 PolarHBondContact O-N 2.61Å; K178-S181 VanDerWaalsContact O-N 3.13Å; K178-S181 PolarHBondContact O-OG 2.95Å; Y179-S181 PolarHBondContact O-N 3.49Å; S181-G183 PolarHBondContact O-N 3.18Å; S181-G183 VanDerWaalsContact O-N 3.11Å; S181-F184 WeakPolarHBondContact O-CB 3.47Å; S181-F184 PolarHBondContact O-N 3.21Å; S181-A185 WeakPolarHBondContact O-CB 3.48Å; S181-A185 PolarHBondContact O-N 3.38Å; S181-C215 VanDerWaalsContact C-SG 3.58Å
182	G	94.1	Very high	87.1	Confident	4 Å²	4	55.1 Å²	55.1	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	-54.5	-33	176.7	0	0	0	0	0	114.6	I186 C215	G182-I186 WeakPolarHBondContact O-CD1 3.25Å; G182-I186 WeakPolarHBondContact O-CG1 3.27Å; G182-I186 PolarHBondContact O-N 3.48Å; G182-C215 PolarHBondContact N-SG 2.8Å; G182-C215 VanDerWaalsContact N-SG 3.43Å
183	G	94.7	Very high	89.3	Confident	1 Å²	1	52 Å²	52	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-72.7	-39.6	177.3	0	0	0	0	0	112.8	S181 L187 A233	S181-G183 PolarHBondContact O-N 3.18Å; S181-G183 VanDerWaalsContact O-N 3.11Å; G183-L187 WeakPolarHBondContact O-CG 3.17Å; G183-L187 PolarHBondContact O-N 2.97Å; G183-A233 VanDerWaalsContact N-CB 3.27Å
184	F	95.3	Very high	90.5	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	21%	0.209	C	C	.	.	H	α-helix	trans	-64.5	-47	175.1	167.9	-90.2	0	0	0	110.8	P177 K178 Y179 R180 S181 I186 L187 R188 F214 F266 L270	P177-F184 HydrophobicContact CB-CB 4.24Å; K178-F184 WeakPolarHBondContact O-CB 3.45Å; Y179-F184 HydrophobicContact CD2-CD1 4.36Å; Y179-F184 HydrophobicContact CD2-CD2 4.16Å; Y179-F184 AromaticContact CD2-CE1 3.86Å; Y179-F184 HydrophobicContact CD2-CE1 3.86Å; Y179-F184 AromaticContact CD2-CE2 3.62Å; Y179-F184 HydrophobicContact CD2-CE2 3.62Å; Y179-F184 AromaticContact CD2-CZ 3.49Å; Y179-F184 HydrophobicContact CD2-CZ 3.49Å; Y179-F184 VanDerWaalsContact CD2-CZ 3.49Å; Y179-F184 AromaticContact CE2-CE1 3.84Å; Y179-F184 HydrophobicContact CE2-CE1 3.84Å; Y179-F184 HydrophobicContact CE2-CE2 4.08Å; Y179-F184 AromaticContact CE2-CZ 3.49Å; Y179-F184 HydrophobicContact CE2-CZ 3.49Å; Y179-F184 VanDerWaalsContact CE2-CZ 3.49Å; R180-F184 VanDerWaalsContact N-CD1 3.34Å; S181-F184 WeakPolarHBondContact O-CB 3.47Å; S181-F184 PolarHBondContact O-N 3.21Å; F184-I186 PolarHBondContact O-N 2.9Å; F184-L187 PolarHBondContact O-N 2.89Å; F184-R188 WeakPolarHBondContact O-CB 3.13Å; F184-R188 PolarHBondContact O-N 3.33Å; F184-F214 HydrophobicContact CE1-CB 4.33Å; F184-F266 HydrophobicContact CD2-CB 4.41Å; F184-F266 HydrophobicContact CD2-CD1 4.28Å; F184-F266 AromaticContact CD2-CD2 3.54Å; F184-F266 HydrophobicContact CD2-CD2 3.54Å; F184-F266 HydrophobicContact CD2-CE1 4.44Å; F184-F266 AromaticContact CD2-CE2 3.72Å; F184-F266 HydrophobicContact CD2-CE2 3.72Å; F184-F266 AromaticContact CD2-CG 3.84Å; F184-F266 HydrophobicContact CD2-CG 3.84Å; F184-F266 HydrophobicContact CD2-CZ 4.18Å; F184-F266 HydrophobicContact CE2-CB 3.76Å; F184-F266 HydrophobicContact CE2-CD1 4.2Å; F184-F266 AromaticContact CE2-CD2 3.77Å; F184-F266 HydrophobicContact CE2-CD2 3.77Å; F184-F266 HydrophobicContact CE2-CE2 4.39Å; F184-F266 AromaticContact CE2-CG 3.66Å; F184-F266 HydrophobicContact CE2-CG 3.66Å; F184-L270 HydrophobicContact CZ-CD1 3.99Å
185	A	95.7	Very high	90.7	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.7	-43	-177.7	0	0	0	0	0	113.6	S181 R188 A189 A211 F214 C215 I219	S181-A185 WeakPolarHBondContact O-CB 3.48Å; S181-A185 PolarHBondContact O-N 3.38Å; A185-R188 PolarHBondContact O-N 2.91Å; A185-A189 VanDerWaalsContact O-CB 3.28Å; A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.48Å; A185-A211 HydrophobicContact CB-CB 4.25Å; A185-A211 WeakPolarHBondContact CB-O 3.29Å; A185-F214 HydrophobicContact CB-CB 3.88Å; A185-C215 HydrophobicContact CB-CB 3.64Å; A185-I219 HydrophobicContact CB-CD1 3.52Å
186	I	95.5	Very high	89.9	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-43	176.2	-68.5	165.7	0	0	0	111	G182 F184 L190 L207 A211 W231 R234 L237 I243	G182-I186 WeakPolarHBondContact O-CD1 3.25Å; G182-I186 WeakPolarHBondContact O-CG1 3.27Å; G182-I186 PolarHBondContact O-N 3.48Å; F184-I186 PolarHBondContact O-N 2.9Å; I186-L190 HydrophobicContact CG2-CD1 4.09Å; I186-L190 WeakPolarHBondContact O-CG 3.34Å; I186-L190 PolarHBondContact O-N 3.36Å; I186-L190 VanDerWaalsContact O-N 3.1Å; I186-L207 HydrophobicContact CG2-CD1 4.42Å; I186-L207 HydrophobicContact CG2-CD2 4.1Å; I186-A211 HydrophobicContact CG1-CB 4.33Å; I186-W231 HydrophobicContact CD1-CE3 3.88Å; I186-W231 HydrophobicContact CD1-CZ3 3.95Å; I186-W231 HydrophobicContact CG1-CE3 4.33Å; I186-W231 HydrophobicContact CG1-CZ3 4.1Å; I186-R234 HydrophobicContact CD1-CB 3.85Å; I186-L237 HydrophobicContact CB-CD1 3.79Å; I186-L237 HydrophobicContact CD1-CD1 4.3Å; I186-L237 HydrophobicContact CG2-CD1 3.69Å; I186-I243 HydrophobicContact CG2-CD1 4.21Å
187	L	94.6	Very high	89.1	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-65.5	-42.4	178.2	-71	177.7	0	0	0	111.9	P177 G183 F184 Y191 L237 M242 I243 L255 T262 A263 F266	P177-L187 HydrophobicContact CG-CD1 3.89Å; G183-L187 WeakPolarHBondContact O-CG 3.17Å; G183-L187 PolarHBondContact O-N 2.97Å; F184-L187 PolarHBondContact O-N 2.89Å; L187-Y191 VanDerWaalsContact O-CB 3.27Å; L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 2.88Å; L187-L237 HydrophobicContact CD1-CD2 3.94Å; L187-L237 HydrophobicContact CD2-CD1 4.34Å; L187-L237 HydrophobicContact CD2-CD2 4.29Å; L187-L237 HydrophobicContact CG-CD1 4.14Å; L187-L237 HydrophobicContact CG-CD2 4.03Å; L187-M242 HydrophobicContact CD1-SD 3.86Å; L187-M242 HydrophobicContact CD2-CB 4.09Å; L187-I243 HydrophobicContact CD2-CG2 3.81Å; L187-L255 HydrophobicContact CD2-CD2 3.43Å; L187-L255 VanDerWaalsContact CD2-CD2 3.43Å; L187-T262 HydrophobicContact CD1-CG2 4.33Å; L187-A263 HydrophobicContact CB-CB 4.26Å; L187-F266 HydrophobicContact CD1-CE2 4.05Å
188	R	91.8	Very high	87.4	Confident	34 Å²	34	45.8 Å²	45.8	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-64.8	-45.7	178.4	-175.9	64	-169.6	-179.8	1.6	111.7	F184 A185 L190 Y191 E192 F214	F184-R188 WeakPolarHBondContact O-CB 3.13Å; F184-R188 PolarHBondContact O-N 3.33Å; A185-R188 PolarHBondContact O-N 2.91Å; R188-L190 PolarHBondContact O-N 3.29Å; R188-Y191 PolarHBondContact O-N 2.98Å; R188-Y191 VanDerWaalsContact O-N 3.14Å; R188-E192 IonicContact CZ-OE1 3.7Å; R188-E192 VanDerWaalsContact CZ-OE1 3.31Å; R188-E192 IonicContact NE-OE1 3.71Å; R188-E192 PolarHBondContact NE-OE1 3.41Å; R188-E192 IonicContact NH2-OE1 3.84Å; R188-E192 PolarHBondContact NH2-OE1 2.98Å; R188-E192 PolarHBondContact O-N 3.18Å; R188-F214 HydrophobicContact CB-CB 4.47Å; R188-F214 HydrophobicContact CB-CD2 4.17Å; R188-F214 HydrophobicContact CB-CG 4.16Å; R188-F214 HydrophobicContact CG-CD1 3.81Å; R188-F214 HydrophobicContact CG-CD2 3.94Å; R188-F214 HydrophobicContact CG-CE1 3.98Å; R188-F214 HydrophobicContact CG-CE2 4.11Å; R188-F214 HydrophobicContact CG-CG 3.81Å; R188-F214 HydrophobicContact CG-CZ 4.14Å
189	A	93.3	Very high	86	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-59.2	-46.7	177.4	0	0	0	0	0	112.5	A185 Y191 F193 L207 V210 A211 F214	A185-A189 VanDerWaalsContact O-CB 3.28Å; A185-A189 WeakPolarHBondContact O-CB 3.37Å; A185-A189 PolarHBondContact O-N 3.48Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 3.45Å; A189-F193 WeakPolarHBondContact O-CB 3.49Å; A189-F193 PolarHBondContact O-N 3.08Å; A189-F193 VanDerWaalsContact O-N 3.15Å; A189-L207 HydrophobicContact CB-CD1 3.86Å; A189-V210 HydrophobicContact CB-CB 4.1Å; A189-V210 HydrophobicContact CB-CG1 3.65Å; A189-A211 HydrophobicContact CB-CB 3.97Å; A189-F214 HydrophobicContact CB-CD2 4.34Å; A189-F214 HydrophobicContact CB-CE2 4.42Å
190	L	93.8	Very high	85.2	Confident	6 Å²	6	40.7 Å²	40.7	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-68.4	-30.2	176.5	-68.2	170.1	0	0	0	112.5	I186 R188 S194 L202 L207 I243 L255	I186-L190 HydrophobicContact CG2-CD1 4.09Å; I186-L190 WeakPolarHBondContact O-CG 3.34Å; I186-L190 PolarHBondContact O-N 3.36Å; I186-L190 VanDerWaalsContact O-N 3.1Å; R188-L190 PolarHBondContact O-N 3.29Å; L190-S194 VanDerWaalsContact O-CB 3.25Å; L190-S194 WeakPolarHBondContact O-CB 3.3Å; L190-S194 PolarHBondContact O-N 3.4Å; L190-S194 PolarHBondContact O-OG 3.43Å; L190-L202 HydrophobicContact CD2-CB 3.97Å; L190-L202 HydrophobicContact CD2-CD2 4.33Å; L190-L207 HydrophobicContact CD2-CD1 3.9Å; L190-L207 HydrophobicContact CD2-CD2 4.33Å; L190-L207 HydrophobicContact CG-CD1 3.8Å; L190-L207 HydrophobicContact CG-CD2 4.47Å; L190-I243 HydrophobicContact CD1-CB 4.44Å; L190-I243 HydrophobicContact CD1-CG2 3.75Å; L190-L255 HydrophobicContact CB-CD1 3.86Å; L190-L255 HydrophobicContact CB-CD2 4.15Å; L190-L255 HydrophobicContact CB-CG 3.6Å; L190-L255 HydrophobicContact CD1-CD2 4.33Å; L190-L255 HydrophobicContact CD1-CG 4.25Å
191	Y	92.4	Very high	85.2	Confident	40 Å²	40	39.5 Å²	39.5	16%	0.157	24%	0.243	C	C	.	.	H	α-helix	trans	-71.2	-43.7	179	-178.3	-98.2	0	0	0	112.1	L187 R188 A189 F193 S194 S195 L255 R260 A263 E264 A267	L187-Y191 VanDerWaalsContact O-CB 3.27Å; L187-Y191 WeakPolarHBondContact O-CB 3.41Å; L187-Y191 PolarHBondContact O-N 2.88Å; R188-Y191 PolarHBondContact O-N 2.98Å; R188-Y191 VanDerWaalsContact O-N 3.14Å; A189-Y191 VanDerWaalsContact C-N 3.3Å; A189-Y191 PolarHBondContact O-N 3.45Å; Y191-F193 VanDerWaalsContact C-N 3.33Å; Y191-S194 WeakPolarHBondContact CA-OG 3.31Å; Y191-S194 PolarHBondContact O-N 2.89Å; Y191-S194 PolarHBondContact O-OG 3.43Å; Y191-S195 PolarHBondContact O-N 2.92Å; Y191-S195 PolarHBondContact O-OG 2.95Å; Y191-L255 HydrophobicContact CD2-CD1 4.4Å; Y191-R260 HydrophobicContact CD2-CG 4.36Å; Y191-R260 HydrophobicContact CE2-CG 4.33Å; Y191-A263 HydrophobicContact CD2-CB 3.76Å; Y191-A263 HydrophobicContact CG-CB 3.81Å; Y191-E264 HydrophobicContact CE2-CB 3.92Å; Y191-A267 HydrophobicContact CD1-CB 4.4Å; Y191-A267 HydrophobicContact CE1-CB 3.78Å
192	E	88	Confident	85	Confident	79 Å²	79	38 Å²	38	37%	0.369	23%	0.233	S	C	.	.	H	α-helix	trans	-62.1	-42.8	174.1	-73.5	-172.9	-176.9	0	0	111.1	R188 S194 S195 G196 F214	R188-E192 IonicContact CZ-OE1 3.7Å; R188-E192 VanDerWaalsContact CZ-OE1 3.31Å; R188-E192 IonicContact NE-OE1 3.71Å; R188-E192 PolarHBondContact NE-OE1 3.41Å; R188-E192 IonicContact NH2-OE1 3.84Å; R188-E192 PolarHBondContact NH2-OE1 2.98Å; R188-E192 PolarHBondContact O-N 3.18Å; E192-S194 PolarHBondContact O-N 2.85Å; E192-S195 PolarHBondContact O-N 2.75Å; E192-G196 PolarHBondContact O-N 3.29Å; E192-F214 WeakPolarHBondContact OE1-CZ 3.39Å; E192-F214 WeakPolarHBondContact OE2-CZ 3.3Å
193	F	86.5	Confident	84.9	Confident	56 Å²	56	42.5 Å²	42.5	25%	0.246	25%	0.253	C	S	.	.	H	α-helix	trans	-63.1	-43.5	174.7	-167.9	-107	0	0	0	112.3	A189 Y191 S195 G196 T197 E200 L202	A189-F193 WeakPolarHBondContact O-CB 3.49Å; A189-F193 PolarHBondContact O-N 3.08Å; A189-F193 VanDerWaalsContact O-N 3.15Å; Y191-F193 VanDerWaalsContact C-N 3.33Å; F193-S195 PolarHBondContact O-N 3.09Å; F193-G196 PolarHBondContact O-N 3.32Å; F193-T197 PolarHBondContact O-N 3.41Å; F193-E200 HydrophobicContact CE1-CB 3.47Å; F193-E200 VanDerWaalsContact CE1-CB 3.47Å; F193-E200 HydrophobicContact CZ-CB 3.97Å; F193-L202 HydrophobicContact CD1-CD1 4.13Å; F193-L202 HydrophobicContact CD2-CD1 4.02Å; F193-L202 HydrophobicContact CE1-CD1 3.92Å; F193-L202 HydrophobicContact CE2-CD1 3.83Å; F193-L202 HydrophobicContact CG-CD1 4.18Å; F193-L202 HydrophobicContact CZ-CD1 3.8Å
194	S	84.4	Confident	84.8	Confident	27 Å²	27	43.6 Å²	43.6	19%	0.189	26%	0.259	C	S	.	.	H	α-helix	trans	-68.2	-20.8	178.7	75.8	0	0	0	0	114.5	L190 Y191 E192	L190-S194 VanDerWaalsContact O-CB 3.25Å; L190-S194 WeakPolarHBondContact O-CB 3.3Å; L190-S194 PolarHBondContact O-N 3.4Å; L190-S194 PolarHBondContact O-OG 3.43Å; Y191-S194 WeakPolarHBondContact CA-OG 3.31Å; Y191-S194 PolarHBondContact O-N 2.89Å; Y191-S194 PolarHBondContact O-OG 3.43Å; E192-S194 PolarHBondContact O-N 2.85Å
195	S	77.3	Confident	84.7	Confident	76 Å²	76	48.6 Å²	48.6	53%	0.531	29%	0.29	S	S	.	.	H	α-helix	trans	-82.1	-28.9	176	-58.8	0	0	0	0	111.7	Y191 E192 F193	Y191-S195 PolarHBondContact O-N 2.92Å; Y191-S195 PolarHBondContact O-OG 2.95Å; E192-S195 PolarHBondContact O-N 2.75Å; F193-S195 PolarHBondContact O-N 3.09Å
196	G	71.3	Confident	84.5	Confident	64 Å²	64	53.7 Å²	53.7	66%	0.66	31%	0.314	S	S	*	.	H	α-helix	trans	-88.3	-29.1	179.5	0	0	0	0	0	114.7	E192 F193	E192-G196 PolarHBondContact O-N 3.29Å; F193-G196 PolarHBondContact O-N 3.32Å
197	T	70.1	Confident	84.4	Confident	62 Å²	62	53.7 Å²	53.7	38%	0.38	31%	0.314	S	S	.	.	S	Bend	trans	-145.2	120.2	-178.8	-46	0	0	0	0	109.6	F193 G199 E200	F193-T197 PolarHBondContact O-N 3.41Å; T197-G199 PolarHBondContact O-N 3.02Å; T197-E200 HydrophobicContact CG2-CG 4.05Å
198	S	53.3	Low	84.4	Confident	126 Å²	126	54.9 Å²	54.9	88%	0.881	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	107.3	-171.5	-168.2	0	0	0	0	111.3
199	G	60.3	Low	84.5	Confident	48 Å²	48	61 Å²	61	50%	0.495	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	10.5	160.6	0	0	0	0	0	117.3	T197	T197-G199 PolarHBondContact O-N 3.02Å
200	E	74	Confident	84.4	Confident	106 Å²	106	62.9 Å²	62.9	50%	0.495	36%	0.358	S	S	.	.			trans	-79.9	147.7	-176.5	-73.2	-171	166.8	0	0	114	F193 T197	F193-E200 HydrophobicContact CE1-CB 3.47Å; F193-E200 VanDerWaalsContact CE1-CB 3.47Å; F193-E200 HydrophobicContact CZ-CB 3.97Å; T197-E200 HydrophobicContact CG2-CG 4.05Å
201	W	89.2	Confident	84.4	Confident	62 Å²	62	62.6 Å²	62.6	24%	0.235	36%	0.356	C	S	.	.			trans	-90.5	132.2	178.6	-73.1	85.3	0	0	0	109	E244 R246 E252 R254	W201-E244 HydrophobicContact CH2-CB 4.28Å; W201-E244 HydrophobicContact CZ3-CB 4.46Å; W201-R246 HydrophobicContact CD2-CB 4.18Å; W201-R246 HydrophobicContact CE3-CB 3.62Å; W201-R246 HydrophobicContact CH2-CB 3.78Å; W201-R246 HydrophobicContact CZ2-CB 4.29Å; W201-R246 HydrophobicContact CZ3-CB 3.42Å; W201-R246 VanDerWaalsContact CZ3-CB 3.42Å; W201-E252 HydrophobicContact CB-CB 3.73Å; W201-E252 HydrophobicContact CB-CG 4.36Å; W201-E252 HydrophobicContact CE3-CB 4.04Å; W201-E252 HydrophobicContact CG-CB 4.47Å; W201-R254 HydrophobicContact CD2-CB 4.17Å; W201-R254 HydrophobicContact CE3-CB 3.9Å; W201-R254 HydrophobicContact CH2-CB 4.32Å; W201-R254 HydrophobicContact CZ3-CB 3.96Å
202	L	90.3	Very high	84.5	Confident	2 Å²	2	63.6 Å²	63.6	1%	0.01	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	127.2	-177.7	-158.6	68.3	0	0	0	111.6	L190 F193 E206 L207 E252 Y253	L190-L202 HydrophobicContact CD2-CB 3.97Å; L190-L202 HydrophobicContact CD2-CD2 4.33Å; F193-L202 HydrophobicContact CD1-CD1 4.13Å; F193-L202 HydrophobicContact CD2-CD1 4.02Å; F193-L202 HydrophobicContact CE1-CD1 3.92Å; F193-L202 HydrophobicContact CE2-CD1 3.83Å; F193-L202 HydrophobicContact CG-CD1 4.18Å; F193-L202 HydrophobicContact CZ-CD1 3.8Å; L202-E206 HydrophobicContact CD1-CB 4.25Å; L202-E206 HydrophobicContact CD1-CG 3.88Å; L202-E206 HydrophobicContact CG-CB 4.3Å; L202-E206 HydrophobicContact CG-CG 4.34Å; L202-L207 HydrophobicContact CD2-CB 3.77Å; L202-L207 HydrophobicContact CD2-CD1 3.9Å; L202-L207 HydrophobicContact CD2-CG 4.4Å; L202-L207 HydrophobicContact CG-CB 4.16Å; L202-E252 CarbonylContact O-C 3.6Å; L202-E252 VanDerWaalsContact O-CA 3.26Å; L202-E252 WeakPolarHBondContact O-CA 3.48Å; L202-Y253 PolarHBondContact N-O 3.05Å; L202-Y253 PolarHBondContact O-N 3.21Å
203	E	91.4	Very high	84.8	Confident	98 Å²	98	66.5 Å²	66.5	46%	0.458	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	153.6	178.5	-69.2	-165.3	167.2	0	0	112.7	V205 E206 L207 E252	E203-V205 VanDerWaalsContact C-N 3.32Å; E203-V205 PolarHBondContact O-N 2.98Å; E203-E206 PolarHBondContact O-N 2.68Å; E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 PolarHBondContact O-N 3.35Å; E203-E252 HydrophobicContact CG-CG 3.9Å
204	T	93.1	Very high	85	Confident	24 Å²	24	65.7 Å²	65.7	15%	0.147	37%	0.373	C	S	.	.	H	α-helix	trans	-49.3	-47.3	-177.7	-66.8	0	0	0	0	113.7	Q208 W231 G250 N251 Y253	T204-Q208 HydrophobicContact CG2-CG 4.44Å; T204-Q208 WeakPolarHBondContact O-CB 3.46Å; T204-Q208 WeakPolarHBondContact O-CG 3.38Å; T204-Q208 PolarHBondContact O-N 3.5Å; T204-W231 HydrophobicContact CG2-CH2 4.33Å; T204-W231 HydrophobicContact CG2-CZ2 3.59Å; T204-G250 WeakPolarHBondContact CB-O 3.22Å; T204-G250 PolarHBondContact N-O 3.31Å; T204-G250 PolarHBondContact OG1-O 3.4Å; T204-N251 PolarHBondContact N-O 2.84Å; T204-N251 PolarHBondContact OG1-O 2.96Å; T204-Y253 WeakPolarHBondContact OG1-CE2 3.42Å
205	V	91.5	Very high	85.4	Confident	111 Å²	111	64.7 Å²	64.7	67%	0.673	37%	0.365	S	S	*	.	H	α-helix	trans	-69.1	-42.6	-173.2	179.7	0	0	0	0	110.8	E203 Q208 K209	E203-V205 VanDerWaalsContact C-N 3.32Å; E203-V205 PolarHBondContact O-N 2.98Å; V205-Q208 PolarHBondContact O-N 3.2Å; V205-K209 PolarHBondContact O-N 3.14Å; V205-K209 VanDerWaalsContact O-N 3.1Å
206	E	91.7	Very high	86	Confident	107 Å²	107	66.4 Å²	66.4	50%	0.5	37%	0.369	S	S	.	.	H	α-helix	trans	-69.9	-42.3	178.9	-168.4	161.1	-156.3	0	0	111.3	L202 E203 Q208 K209 V210	L202-E206 HydrophobicContact CD1-CB 4.25Å; L202-E206 HydrophobicContact CD1-CG 3.88Å; L202-E206 HydrophobicContact CG-CB 4.3Å; L202-E206 HydrophobicContact CG-CG 4.34Å; E203-E206 PolarHBondContact O-N 2.68Å; E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 2.96Å; E206-K209 WeakPolarHBondContact O-CB 3.05Å; E206-K209 PolarHBondContact O-N 3.46Å; E206-K209 VanDerWaalsContact O-N 3.17Å; E206-V210 WeakPolarHBondContact O-CG2 3.39Å; E206-V210 PolarHBondContact O-N 3.04Å
207	L	94.4	Very high	87	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-60.2	-42	174.2	179	56.5	0	0	0	112.1	I186 A189 L190 L202 E203 K209 A211 W231 Y253	I186-L207 HydrophobicContact CG2-CD1 4.42Å; I186-L207 HydrophobicContact CG2-CD2 4.1Å; A189-L207 HydrophobicContact CB-CD1 3.86Å; L190-L207 HydrophobicContact CD2-CD1 3.9Å; L190-L207 HydrophobicContact CD2-CD2 4.33Å; L190-L207 HydrophobicContact CG-CD1 3.8Å; L190-L207 HydrophobicContact CG-CD2 4.47Å; L202-L207 HydrophobicContact CD2-CB 3.77Å; L202-L207 HydrophobicContact CD2-CD1 3.9Å; L202-L207 HydrophobicContact CD2-CG 4.4Å; L202-L207 HydrophobicContact CG-CB 4.16Å; E203-L207 WeakPolarHBondContact O-CB 3.28Å; E203-L207 PolarHBondContact O-N 3.35Å; L207-K209 VanDerWaalsContact C-N 3.34Å; L207-K209 PolarHBondContact O-N 3.17Å; L207-A211 WeakPolarHBondContact O-CB 3.46Å; L207-A211 PolarHBondContact O-N 2.83Å; L207-W231 HydrophobicContact CB-CH2 4.33Å; L207-W231 HydrophobicContact CD2-CH2 3.66Å; L207-W231 HydrophobicContact CD2-CZ3 3.93Å; L207-W231 HydrophobicContact CG-CH2 4Å; L207-W231 HydrophobicContact CG-CZ3 3.96Å; L207-Y253 HydrophobicContact CD2-CD2 3.69Å; L207-Y253 HydrophobicContact CD2-CE2 4.49Å; L207-Y253 HydrophobicContact CD2-CG 3.8Å
208	Q	94.3	Very high	88	Confident	24 Å²	24	71.7 Å²	71.7	11%	0.112	37%	0.368	C	S	.	.	H	α-helix	trans	-61	-43.8	175.5	-76.5	174.9	-12.7	0	0	111.6	T204 V205 E206 Q212 I219 W231	T204-Q208 HydrophobicContact CG2-CG 4.44Å; T204-Q208 WeakPolarHBondContact O-CB 3.46Å; T204-Q208 WeakPolarHBondContact O-CG 3.38Å; T204-Q208 PolarHBondContact O-N 3.5Å; V205-Q208 PolarHBondContact O-N 3.2Å; E206-Q208 VanDerWaalsContact C-N 3.34Å; E206-Q208 PolarHBondContact O-N 2.96Å; Q208-Q212 WeakPolarHBondContact O-CB 3.27Å; Q208-Q212 PolarHBondContact O-N 3Å; Q208-I219 HydrophobicContact CB-CG2 4.29Å; Q208-I219 HydrophobicContact CG-CG2 4.08Å; Q208-W231 HydrophobicContact CG-CD2 3.84Å; Q208-W231 HydrophobicContact CG-CE3 3.66Å; Q208-W231 HydrophobicContact CG-CH2 3.97Å; Q208-W231 HydrophobicContact CG-CZ2 4.17Å; Q208-W231 HydrophobicContact CG-CZ3 3.71Å; Q208-W231 VanDerWaalsContact NE2-CD1 3.31Å; Q208-W231 VanDerWaalsContact NE2-CE2 3.3Å; Q208-W231 VanDerWaalsContact NE2-NE1 3.19Å
209	K	92.8	Very high	89.8	Confident	163 Å²	163	65.9 Å²	65.9	71%	0.709	33%	0.327	S	S	*	.	H	α-helix	trans	-63.6	-46.5	179.4	-173.3	-177.8	177.7	-173.1	0	112.3	V205 E206 L207	V205-K209 PolarHBondContact O-N 3.14Å; V205-K209 VanDerWaalsContact O-N 3.1Å; E206-K209 WeakPolarHBondContact O-CB 3.05Å; E206-K209 PolarHBondContact O-N 3.46Å; E206-K209 VanDerWaalsContact O-N 3.17Å; L207-K209 VanDerWaalsContact C-N 3.34Å; L207-K209 PolarHBondContact O-N 3.17Å
210	V	92.6	Very high	91.2	Very high	39 Å²	39	63.6 Å²	63.6	24%	0.236	30%	0.304	C	S	.	.	H	α-helix	trans	-69.7	-44.7	178.9	-179.2	0	0	0	0	110.5	A189 E206 Q212 Q213 F214	A189-V210 HydrophobicContact CB-CB 4.1Å; A189-V210 HydrophobicContact CB-CG1 3.65Å; E206-V210 WeakPolarHBondContact O-CG2 3.39Å; E206-V210 PolarHBondContact O-N 3.04Å; V210-Q212 VanDerWaalsContact C-N 3.27Å; V210-Q212 PolarHBondContact O-N 2.84Å; V210-Q213 PolarHBondContact O-N 3.29Å; V210-F214 HydrophobicContact CG1-CE2 4.22Å
211	A	94.4	Very high	91.8	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-63.7	-30.5	-179.8	0	0	0	0	0	113.1	A185 I186 A189 L207 Q213 F214 C215 I219	A185-A211 HydrophobicContact CB-CB 4.25Å; A185-A211 WeakPolarHBondContact CB-O 3.29Å; I186-A211 HydrophobicContact CG1-CB 4.33Å; A189-A211 HydrophobicContact CB-CB 3.97Å; L207-A211 WeakPolarHBondContact O-CB 3.46Å; L207-A211 PolarHBondContact O-N 2.83Å; A211-Q213 PolarHBondContact O-N 2.9Å; A211-Q213 VanDerWaalsContact O-N 3.12Å; A211-F214 PolarHBondContact O-N 3.36Å; A211-C215 PolarHBondContact O-N 3.05Å; A211-I219 HydrophobicContact CB-CD1 3.79Å; A211-I219 HydrophobicContact CB-CG2 4.3Å
212	Q	94.4	Very high	91.5	Very high	62 Å²	62	62.8 Å²	62.8	29%	0.29	32%	0.318	S	S	.	.	H	α-helix	trans	-56.7	-30.7	179.6	-173.7	60.1	77.9	0	0	113.1	Q208 V210 F214 C215 E217	Q208-Q212 WeakPolarHBondContact O-CB 3.27Å; Q208-Q212 PolarHBondContact O-N 3Å; V210-Q212 VanDerWaalsContact C-N 3.27Å; V210-Q212 PolarHBondContact O-N 2.84Å; Q212-F214 PolarHBondContact O-N 3.38Å; Q212-C215 PolarHBondContact NE2-O 2.98Å; Q212-C215 PolarHBondContact O-N 2.67Å; Q212-E217 PolarHBondContact NE2-O 2.92Å
213	Q	92.4	Very high	91.1	Very high	140 Å²	140	66 Å²	66	65%	0.654	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-23.6	178.9	-59.6	-178.5	55.5	0	0	112.9	V210 A211	V210-Q213 PolarHBondContact O-N 3.29Å; A211-Q213 PolarHBondContact O-N 2.9Å; A211-Q213 VanDerWaalsContact O-N 3.12Å
214	F	92	Very high	90.4	Very high	38 Å²	38	71.8 Å²	71.8	17%	0.167	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	7.4	-177.3	-53.1	-63.6	0	0	0	113.1	R180 F184 A185 R188 A189 E192 V210 A211 Q212	R180-F214 WeakPolarHBondContact CA-O 3.38Å; F184-F214 HydrophobicContact CE1-CB 4.33Å; A185-F214 HydrophobicContact CB-CB 3.88Å; R188-F214 HydrophobicContact CB-CB 4.47Å; R188-F214 HydrophobicContact CB-CD2 4.17Å; R188-F214 HydrophobicContact CB-CG 4.16Å; R188-F214 HydrophobicContact CG-CD1 3.81Å; R188-F214 HydrophobicContact CG-CD2 3.94Å; R188-F214 HydrophobicContact CG-CE1 3.98Å; R188-F214 HydrophobicContact CG-CE2 4.11Å; R188-F214 HydrophobicContact CG-CG 3.81Å; R188-F214 HydrophobicContact CG-CZ 4.14Å; A189-F214 HydrophobicContact CB-CD2 4.34Å; A189-F214 HydrophobicContact CB-CE2 4.42Å; E192-F214 WeakPolarHBondContact OE1-CZ 3.39Å; E192-F214 WeakPolarHBondContact OE2-CZ 3.3Å; V210-F214 HydrophobicContact CG1-CE2 4.22Å; A211-F214 PolarHBondContact O-N 3.36Å; Q212-F214 PolarHBondContact O-N 3.38Å
215	C	92.6	Very high	89.6	Confident	6 Å²	6	77.6 Å²	77.6	4%	0.041	39%	0.385	C	S	.	.			trans	-126.4	134.9	-176.6	-160.3	0	0	0	0	112.6	R180 S181 G182 A185 A211 Q212 E217 I219	R180-C215 WeakPolarHBondContact O-CA 3.4Å; R180-C215 PolarHBondContact O-SG 2.74Å; R180-C215 VanDerWaalsContact O-SG 3.35Å; S181-C215 VanDerWaalsContact C-SG 3.58Å; G182-C215 PolarHBondContact N-SG 2.8Å; G182-C215 VanDerWaalsContact N-SG 3.43Å; A185-C215 HydrophobicContact CB-CB 3.64Å; A211-C215 PolarHBondContact O-N 3.05Å; Q212-C215 PolarHBondContact NE2-O 2.98Å; Q212-C215 PolarHBondContact O-N 2.67Å; C215-E217 VanDerWaalsContact C-N 3.31Å; C215-E217 PolarHBondContact SG-O 2.78Å; C215-E217 VanDerWaalsContact SG-O 3.38Å; C215-I219 HydrophobicContact CB-CD1 3.36Å; C215-I219 HydrophobicContact CB-CG1 3.81Å
216	D	90.4	Very high	88.9	Confident	113 Å²	113	77.3 Å²	77.3	60%	0.604	38%	0.377	S	S	*	.	S	Bend	trans	-75.5	-22.2	173.6	-67	-35	0	0	0	113.1	R180	R180-D216 WeakPolarHBondContact CB-OD2 3.46Å; R180-D216 WeakPolarHBondContact CD-OD2 3.47Å; R180-D216 IonicContact CZ-OD1 2.65Å; R180-D216 IonicContact NE-OD1 2.65Å; R180-D216 PolarHBondContact NE-OD1 3.27Å; R180-D216 IonicContact NE-OD2 3.64Å; R180-D216 PolarHBondContact NE-OD2 3.48Å; R180-D216 VanDerWaalsContact NE-OD2 3.11Å; R180-D216 IonicContact NH2-OD1 2.67Å; R180-D216 PolarHBondContact NH2-OD1 3.25Å; R180-D216 PolarHBondContact O-N 3.43Å
217	E	90.7	Very high	88.2	Confident	127 Å²	127	74.1 Å²	74.1	59%	0.593	37%	0.365	S	S	*	.	S	Bend	trans	-101.9	156.8	178.4	-70.7	-177.7	-174	0	0	110.9	Q212 C215 I219 A230	Q212-E217 PolarHBondContact NE2-O 2.92Å; C215-E217 VanDerWaalsContact C-N 3.31Å; C215-E217 PolarHBondContact SG-O 2.78Å; C215-E217 VanDerWaalsContact SG-O 3.38Å; E217-I219 PolarHBondContact O-N 3.27Å; E217-A230 HydrophobicContact CB-CB 3.77Å
218	Y	91.6	Very high	87.6	Confident	109 Å²	109	80.9 Å²	80.9	43%	0.427	40%	0.395	S	S	.	.			trans	-65.1	120.2	178.6	178.5	-113.2	0	0	0	111.7	T229 A230	Y218-T229 HydrophobicContact CD1-CG2 3.86Å; Y218-T229 HydrophobicContact CE1-CG2 4.24Å; Y218-T229 WeakPolarHBondContact O-CB 3.21Å; Y218-A230 PolarHBondContact O-N 3.2Å
219	I	91.8	Very high	87.4	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.021	39%	0.393	C	S	.	.			trans	-101.9	90.7	172.8	-64.7	-176.5	0	0	0	108.4	A185 Q208 A211 C215 E217 A230 W231	A185-I219 HydrophobicContact CB-CD1 3.52Å; Q208-I219 HydrophobicContact CB-CG2 4.29Å; Q208-I219 HydrophobicContact CG-CG2 4.08Å; A211-I219 HydrophobicContact CB-CD1 3.79Å; A211-I219 HydrophobicContact CB-CG2 4.3Å; C215-I219 HydrophobicContact CB-CD1 3.36Å; C215-I219 HydrophobicContact CB-CG1 3.81Å; E217-I219 PolarHBondContact O-N 3.27Å; I219-A230 HydrophobicContact CG1-CB 3.62Å; I219-W231 HydrophobicContact CG2-CB 4.32Å; I219-W231 HydrophobicContact CG2-CD2 4.45Å; I219-W231 HydrophobicContact CG2-CE3 3.63Å; I219-W231 HydrophobicContact CG2-CZ3 4.33Å
220	G	89.3	Confident	87.5	Confident	1 Å²	1	72.8 Å²	72.8	1%	0.01	36%	0.362	C	S	.	.	S	Bend	trans	-160.7	-171.5	177.1	0	0	0	0	0	112.8	T229 W231	G220-T229 WeakPolarHBondContact O-CB 3.16Å; G220-T229 PolarHBondContact O-OG1 3.07Å; G220-W231 WeakPolarHBondContact O-CB 3.3Å
221	P	85.9	Confident	87.6	Confident	75 Å²	75	71.6 Å²	71.6	49%	0.487	35%	0.353	S	S	.	.			trans	-62.7	142.3	173.5	26.7	-33.1	0	0	0	111.2
222	S	84.8	Confident	87.5	Confident	76 Å²	76	74.1 Å²	74.1	53%	0.531	37%	0.374	S	S	.	.			trans	-64	134.4	172.6	-60	0	0	0	0	110.3	P227	S222-P227 VanDerWaalsContact CB-O 3.32Å; S222-P227 WeakPolarHBondContact CB-O 3.27Å; S222-P227 PolarHBondContact OG-O 3.07Å
223	T	81.3	Confident	87.4	Confident	70 Å²	70	72 Å²	72	43%	0.429	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-111.9	163.1	172.6	65.6	0	0	0	0	109.8	N225 Q226	T223-N225 PolarHBondContact O-N 3.21Å; T223-N225 VanDerWaalsContact O-N 3.08Å; T223-Q226 PolarHBondContact N-O 3.16Å; T223-Q226 CarbonylContact O-C 3.58Å; T223-Q226 PolarHBondContact O-N 3.39Å; T223-Q226 PolarHBondContact OG1-N 3.39Å
224	R	75.5	Confident	87.5	Confident	218 Å²	218	68.2 Å²	68.2	82%	0.823	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	-29.2	176.4	-175.8	-176.6	-85.3	-177.6	-4.8	113.1
225	N	76.7	Confident	87.5	Confident	147 Å²	147	72.7 Å²	72.7	79%	0.786	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	-16.5	179.1	-62.8	-16.4	0	0	0	112.8	T223	T223-N225 PolarHBondContact O-N 3.21Å; T223-N225 VanDerWaalsContact O-N 3.08Å
226	Q	76.3	Confident	87.5	Confident	104 Å²	104	75 Å²	75	49%	0.486	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-139.7	76.7	178.4	-68.4	-171.6	-0.6	0	0	111	T223 F228	T223-Q226 PolarHBondContact N-O 3.16Å; T223-Q226 CarbonylContact O-C 3.58Å; T223-Q226 PolarHBondContact O-N 3.39Å; T223-Q226 PolarHBondContact OG1-N 3.39Å; Q226-F228 VanDerWaalsContact C-N 3.26Å; Q226-F228 PolarHBondContact O-N 3.01Å
227	P	77.6	Confident	87.8	Confident	41 Å²	41	69.7 Å²	69.7	27%	0.266	35%	0.352	S	S	.	.			trans	-60.7	-35	178.3	-0.4	-8.5	0	0	0	113.9	E46 S222	E46-P227 WeakPolarHBondContact OE2-CB 3.43Å; E46-P227 WeakPolarHBondContact OE2-CG 3.48Å; S222-P227 VanDerWaalsContact CB-O 3.32Å; S222-P227 WeakPolarHBondContact CB-O 3.27Å; S222-P227 PolarHBondContact OG-O 3.07Å
228	F	82	Confident	87.9	Confident	142 Å²	142	66 Å²	66	62%	0.623	34%	0.336	S	S	*	.			trans	-105	98.3	-173.4	-59.9	-75.6	0	0	0	109.3	Q226	Q226-F228 VanDerWaalsContact C-N 3.26Å; Q226-F228 PolarHBondContact O-N 3.01Å
229	T	91.1	Very high	88	Confident	10 Å²	10	67.1 Å²	67.1	6%	0.061	35%	0.349	C	S	.	.			trans	-101.6	157.3	172.9	67	0	0	0	0	110.3	Y218 G220 W231 A232	Y218-T229 HydrophobicContact CD1-CG2 3.86Å; Y218-T229 HydrophobicContact CE1-CG2 4.24Å; Y218-T229 WeakPolarHBondContact O-CB 3.21Å; G220-T229 WeakPolarHBondContact O-CB 3.16Å; G220-T229 PolarHBondContact O-OG1 3.07Å; T229-W231 PolarHBondContact O-N 2.97Å; T229-W231 WeakPolarHBondContact OG1-CB 3.44Å; T229-A232 WeakPolarHBondContact O-CB 3.22Å; T229-A232 PolarHBondContact O-N 2.84Å
230	A	93.3	Very high	88	Confident	7 Å²	7	69.3 Å²	69.3	6%	0.058	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-62.1	-17	177.7	0	0	0	0	0	112.6	E217 Y218 I219 A232 A233	E217-A230 HydrophobicContact CB-CB 3.77Å; Y218-A230 PolarHBondContact O-N 3.2Å; I219-A230 HydrophobicContact CG1-CB 3.62Å; A230-A232 PolarHBondContact O-N 2.91Å; A230-A232 VanDerWaalsContact O-N 3.12Å; A230-A233 VanDerWaalsContact O-CB 3.31Å; A230-A233 WeakPolarHBondContact O-CB 3.29Å; A230-A233 PolarHBondContact O-N 3.25Å; A230-A233 VanDerWaalsContact O-N 3.09Å
231	W	94.6	Very high	88.1	Confident	13 Å²	13	74.7 Å²	74.7	5%	0.049	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-59.8	-18.3	171	-170.8	-127.6	0	0	0	114.1	I186 T204 L207 Q208 I219 G220 T229 A233 R234 Y253	I186-W231 HydrophobicContact CD1-CE3 3.88Å; I186-W231 HydrophobicContact CD1-CZ3 3.95Å; I186-W231 HydrophobicContact CG1-CE3 4.33Å; I186-W231 HydrophobicContact CG1-CZ3 4.1Å; T204-W231 HydrophobicContact CG2-CH2 4.33Å; T204-W231 HydrophobicContact CG2-CZ2 3.59Å; L207-W231 HydrophobicContact CB-CH2 4.33Å; L207-W231 HydrophobicContact CD2-CH2 3.66Å; L207-W231 HydrophobicContact CD2-CZ3 3.93Å; L207-W231 HydrophobicContact CG-CH2 4Å; L207-W231 HydrophobicContact CG-CZ3 3.96Å; Q208-W231 HydrophobicContact CG-CD2 3.84Å; Q208-W231 HydrophobicContact CG-CE3 3.66Å; Q208-W231 HydrophobicContact CG-CH2 3.97Å; Q208-W231 HydrophobicContact CG-CZ2 4.17Å; Q208-W231 HydrophobicContact CG-CZ3 3.71Å; Q208-W231 VanDerWaalsContact NE2-CD1 3.31Å; Q208-W231 VanDerWaalsContact NE2-CE2 3.3Å; Q208-W231 VanDerWaalsContact NE2-NE1 3.19Å; I219-W231 HydrophobicContact CG2-CB 4.32Å; I219-W231 HydrophobicContact CG2-CD2 4.45Å; I219-W231 HydrophobicContact CG2-CE3 3.63Å; I219-W231 HydrophobicContact CG2-CZ3 4.33Å; G220-W231 WeakPolarHBondContact O-CB 3.3Å; T229-W231 PolarHBondContact O-N 2.97Å; T229-W231 WeakPolarHBondContact OG1-CB 3.44Å; W231-A233 PolarHBondContact O-N 3.44Å; W231-R234 VanDerWaalsContact CZ2-CD 3.49Å; W231-R234 WeakPolarHBondContact O-CG 3.48Å; W231-R234 PolarHBondContact O-N 2.78Å; W231-R234 PolarHBondContact O-NH1 2.86Å; W231-Y253 HydrophobicContact CH2-CD2 4.4Å; W231-Y253 AromaticContact CH2-CE2 3.98Å; W231-Y253 HydrophobicContact CH2-CE2 3.98Å; W231-Y253 AromaticContact CZ2-CE2 3.87Å; W231-Y253 HydrophobicContact CZ2-CE2 3.87Å
232	A	92.4	Very high	88.4	Confident	54 Å²	54	71.1 Å²	71.1	45%	0.446	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-61.4	-26	173.4	0	0	0	0	0	112.8	T229 A230 R234 K235	T229-A232 WeakPolarHBondContact O-CB 3.22Å; T229-A232 PolarHBondContact O-N 2.84Å; A230-A232 PolarHBondContact O-N 2.91Å; A230-A232 VanDerWaalsContact O-N 3.12Å; A232-R234 PolarHBondContact O-N 2.92Å; A232-K235 PolarHBondContact O-N 3.1Å
233	A	93.3	Very high	88.9	Confident	18 Å²	18	67.7 Å²	67.7	15%	0.149	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-25.3	-179.9	0	0	0	0	0	113.6	G183 A230 W231 K235 T236 L237	G183-A233 VanDerWaalsContact N-CB 3.27Å; A230-A233 VanDerWaalsContact O-CB 3.31Å; A230-A233 WeakPolarHBondContact O-CB 3.29Å; A230-A233 PolarHBondContact O-N 3.25Å; A230-A233 VanDerWaalsContact O-N 3.09Å; W231-A233 PolarHBondContact O-N 3.44Å; A233-K235 PolarHBondContact O-N 3.34Å; A233-T236 WeakPolarHBondContact O-CB 3.31Å; A233-T236 PolarHBondContact O-N 2.86Å; A233-L237 PolarHBondContact O-N 3.31Å
234	R	94.2	Very high	89.5	Confident	59 Å²	59	68.1 Å²	68.1	22%	0.223	34%	0.339	C	S	.	.	H	α-helix	trans	-55.7	-36.1	176.6	84.7	-171.8	-178.8	-80.2	7.3	112.7	I186 W231 A232 T236 L237 I238 I243 Y253	I186-R234 HydrophobicContact CD1-CB 3.85Å; W231-R234 VanDerWaalsContact CZ2-CD 3.49Å; W231-R234 WeakPolarHBondContact O-CG 3.48Å; W231-R234 PolarHBondContact O-N 2.78Å; W231-R234 PolarHBondContact O-NH1 2.86Å; A232-R234 PolarHBondContact O-N 2.92Å; R234-T236 VanDerWaalsContact C-N 3.31Å; R234-T236 PolarHBondContact O-N 3.43Å; R234-L237 PolarHBondContact O-N 3.21Å; R234-I238 VanDerWaalsContact O-CG1 3.25Å; R234-I238 WeakPolarHBondContact O-CG1 3.26Å; R234-I238 PolarHBondContact O-N 3.41Å; R234-I243 HydrophobicContact CB-CD1 4.17Å; R234-Y253 PolarHBondContact NE-OH 3.44Å
235	K	92.8	Very high	90.4	Very high	133 Å²	133	60.5 Å²	60.5	58%	0.578	32%	0.316	S	S	*	.	H	α-helix	trans	-64.9	-39.9	179	-68	-176.9	178.8	178.4	0	110.7	A232 A233 N239	A232-K235 PolarHBondContact O-N 3.1Å; A233-K235 PolarHBondContact O-N 3.34Å; K235-N239 WeakPolarHBondContact O-CB 3.35Å; K235-N239 PolarHBondContact O-N 3.34Å; K235-N239 PolarHBondContact O-OD1 3.45Å
236	T	93	Very high	91.1	Very high	55 Å²	55	58.6 Å²	58.6	34%	0.337	30%	0.298	S	S	.	.	H	α-helix	trans	-67.9	-39.6	175.9	-47.3	0	0	0	0	111.2	Y175 A233 R234 N239 N240	Y175-T236 HydrophobicContact CD1-CG2 3.98Å; Y175-T236 HydrophobicContact CE1-CG2 3.51Å; Y175-T236 HydrophobicContact CE2-CG2 4.17Å; A233-T236 WeakPolarHBondContact O-CB 3.31Å; A233-T236 PolarHBondContact O-N 2.86Å; R234-T236 VanDerWaalsContact C-N 3.31Å; R234-T236 PolarHBondContact O-N 3.43Å; T236-N239 PolarHBondContact O-N 3.13Å; T236-N240 WeakPolarHBondContact O-CB 3.2Å; T236-N240 PolarHBondContact O-N 2.8Å; T236-N240 VanDerWaalsContact O-N 3.08Å; T236-N240 PolarHBondContact O-ND2 3.41Å
237	L	94.9	Very high	91.6	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	32%	0.317	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.7	-65.8	177.9	0	0	0	112.5	Y175 P177 I186 L187 A233 R234 N240 N241 M242 I243	Y175-L237 HydrophobicContact CE1-CD2 4.32Å; P177-L237 HydrophobicContact CG-CD2 3.85Å; I186-L237 HydrophobicContact CB-CD1 3.79Å; I186-L237 HydrophobicContact CD1-CD1 4.3Å; I186-L237 HydrophobicContact CG2-CD1 3.69Å; L187-L237 HydrophobicContact CD1-CD2 3.94Å; L187-L237 HydrophobicContact CD2-CD1 4.34Å; L187-L237 HydrophobicContact CD2-CD2 4.29Å; L187-L237 HydrophobicContact CG-CD1 4.14Å; L187-L237 HydrophobicContact CG-CD2 4.03Å; A233-L237 PolarHBondContact O-N 3.31Å; R234-L237 PolarHBondContact O-N 3.21Å; L237-N240 PolarHBondContact O-N 3.2Å; L237-N241 PolarHBondContact O-N 3.11Å; L237-M242 HydrophobicContact CB-CB 4.47Å; L237-M242 HydrophobicContact CD2-CB 4.28Å; L237-M242 HydrophobicContact CD2-CE 3.59Å; L237-M242 HydrophobicContact CD2-SD 4.1Å; L237-M242 PolarHBondContact O-N 3.08Å; L237-I243 HydrophobicContact CB-CD1 3.67Å; L237-I243 HydrophobicContact CB-CG1 3.69Å; L237-I243 HydrophobicContact CB-CG2 4.28Å; L237-I243 HydrophobicContact CD1-CD1 4.05Å; L237-I243 HydrophobicContact CD1-CG2 4.27Å
238	I	94.4	Very high	91.8	Very high	50 Å²	50	64.9 Å²	64.9	26%	0.256	32%	0.319	S	S	.	.	H	α-helix	trans	-62.4	-48.7	174.5	-66.1	163.2	0	0	0	110.1	R234 N240 N241 I243 V245 Y253	R234-I238 VanDerWaalsContact O-CG1 3.25Å; R234-I238 WeakPolarHBondContact O-CG1 3.26Å; R234-I238 PolarHBondContact O-N 3.41Å; I238-N240 PolarHBondContact O-N 2.82Å; I238-N241 PolarHBondContact O-N 3.4Å; I238-I243 HydrophobicContact CG1-CD1 3.94Å; I238-I243 HydrophobicContact CG1-CG1 3.59Å; I238-V245 HydrophobicContact CD1-CB 4.36Å; I238-V245 HydrophobicContact CD1-CG1 4.12Å; I238-Y253 HydrophobicContact CD1-CE1 4.28Å
239	N	92.2	Very high	91.7	Very high	132 Å²	132	69 Å²	69	71%	0.706	34%	0.337	S	S	*	.	H	α-helix	trans	-63.5	-25.5	-179.2	-72.4	-7	0	0	0	113.7	K235 T236	K235-N239 WeakPolarHBondContact O-CB 3.35Å; K235-N239 PolarHBondContact O-N 3.34Å; K235-N239 PolarHBondContact O-OD1 3.45Å; T236-N239 PolarHBondContact O-N 3.13Å
240	N	92.3	Very high	91.2	Very high	50 Å²	50	69.7 Å²	69.7	27%	0.267	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.5	12.1	176.8	-73.5	-77	0	0	0	113.3	Y175 T236 L237 I238 M242	Y175-N240 WeakPolarHBondContact CB-OD1 3.46Å; Y175-N240 HydrophobicContact CD1-CB 4.14Å; Y175-N240 VanDerWaalsContact CD1-ND2 3.34Å; Y175-N240 WeakPolarHBondContact CD1-ND2 3.41Å; T236-N240 WeakPolarHBondContact O-CB 3.2Å; T236-N240 PolarHBondContact O-N 2.8Å; T236-N240 VanDerWaalsContact O-N 3.08Å; T236-N240 PolarHBondContact O-ND2 3.41Å; L237-N240 PolarHBondContact O-N 3.2Å; I238-N240 PolarHBondContact O-N 2.82Å; N240-M242 VanDerWaalsContact C-N 3.27Å; N240-M242 HydrophobicContact CB-CE 3.91Å; N240-M242 PolarHBondContact O-N 3.28Å
241	N	91.9	Very high	91.1	Very high	115 Å²	115	72.3 Å²	72.3	62%	0.615	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	36.6	-178.6	-64.8	-33.3	0	0	0	113.8	L237 I238 T256	L237-N241 PolarHBondContact O-N 3.11Å; I238-N241 PolarHBondContact O-N 3.4Å; N241-T256 WeakPolarHBondContact O-CB 3.44Å; N241-T256 WeakPolarHBondContact O-CG2 3.4Å; N241-T256 PolarHBondContact O-OG1 3.41Å
242	M	92.7	Very high	91	Very high	0 Å²	0	73 Å²	73	0%	0	36%	0.362	C	S	.	.	S	Bend	trans	-96.3	-27.6	175.2	-72.8	-167	-93	0	0	113.3	Y175 P177 L187 L237 N240 T256 K258 G259 T262	Y175-M242 HydrophobicContact CD1-CE 3.23Å; Y175-M242 HydrophobicContact CE1-CE 3.72Å; Y175-M242 HydrophobicContact CG-CE 4.27Å; Y175-M242 WeakPolarHBondContact O-CE 3.44Å; P177-M242 HydrophobicContact CG-CE 4.32Å; L187-M242 HydrophobicContact CD1-SD 3.86Å; L187-M242 HydrophobicContact CD2-CB 4.09Å; L237-M242 HydrophobicContact CB-CB 4.47Å; L237-M242 HydrophobicContact CD2-CB 4.28Å; L237-M242 HydrophobicContact CD2-CE 3.59Å; L237-M242 HydrophobicContact CD2-SD 4.1Å; L237-M242 PolarHBondContact O-N 3.08Å; N240-M242 VanDerWaalsContact C-N 3.27Å; N240-M242 HydrophobicContact CB-CE 3.91Å; N240-M242 PolarHBondContact O-N 3.28Å; M242-T256 WeakPolarHBondContact CA-OG1 3.23Å; M242-T256 PolarHBondContact O-N 3.21Å; M242-T256 VanDerWaalsContact O-N 3.15Å; M242-T256 PolarHBondContact O-OG1 3.31Å; M242-K258 HydrophobicContact CG-CG 4.43Å; M242-G259 VanDerWaalsContact O-CA 3.29Å; M242-G259 WeakPolarHBondContact O-CA 3.37Å; M242-T262 HydrophobicContact SD-CG2 4.34Å
243	I	94.6	Very high	91.1	Very high	3 Å²	3	70.8 Å²	70.8	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	146.9	173.6	68.7	180	0	0	0	110	I186 L187 L190 R234 L237 I238 Y253 R254 L255	I186-I243 HydrophobicContact CG2-CD1 4.21Å; L187-I243 HydrophobicContact CD2-CG2 3.81Å; L190-I243 HydrophobicContact CD1-CB 4.44Å; L190-I243 HydrophobicContact CD1-CG2 3.75Å; R234-I243 HydrophobicContact CB-CD1 4.17Å; L237-I243 HydrophobicContact CB-CD1 3.67Å; L237-I243 HydrophobicContact CB-CG1 3.69Å; L237-I243 HydrophobicContact CB-CG2 4.28Å; L237-I243 HydrophobicContact CD1-CD1 4.05Å; L237-I243 HydrophobicContact CD1-CG2 4.27Å; I238-I243 HydrophobicContact CG1-CD1 3.94Å; I238-I243 HydrophobicContact CG1-CG1 3.59Å; I243-Y253 HydrophobicContact CD1-CD1 4.13Å; I243-R254 CarbonylContact C-O 3.56Å; I243-R254 VanDerWaalsContact CA-O 3.32Å; I243-R254 WeakPolarHBondContact CA-O 3.22Å; I243-L255 HydrophobicContact CG2-CD2 4.27Å
244	E	93.5	Very high	91.1	Very high	79 Å²	79	74.4 Å²	74.4	37%	0.369	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	152.3	171.1	-82	162.4	-165.2	0	0	110	W201 Y253 R254 T256	W201-E244 HydrophobicContact CH2-CB 4.28Å; W201-E244 HydrophobicContact CZ3-CB 4.46Å; E244-Y253 WeakPolarHBondContact O-CA 3.37Å; E244-R254 PolarHBondContact N-O 2.9Å; E244-R254 PolarHBondContact O-N 2.82Å; E244-R254 VanDerWaalsContact O-N 3.1Å; E244-R254 IonicContact OE2-CZ 2.71Å; E244-R254 IonicContact OE2-NE 3.78Å; E244-R254 IonicContact OE2-NH2 2.75Å; E244-R254 PolarHBondContact OE2-NH2 3.4Å; E244-T256 HydrophobicContact CB-CG2 4.49Å; E244-T256 HydrophobicContact CG-CG2 3.68Å
245	V	93.9	Very high	91.1	Very high	58 Å²	58	72.5 Å²	72.5	35%	0.352	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.6	176.9	61.5	0	0	0	0	110.1	I238 N251 E252 Y253	I238-V245 HydrophobicContact CD1-CB 4.36Å; I238-V245 HydrophobicContact CD1-CG1 4.12Å; V245-N251 HydrophobicContact CG2-CB 4.28Å; V245-E252 CarbonylContact C-O 3.55Å; V245-E252 WeakPolarHBondContact CA-O 3.44Å; V245-Y253 HydrophobicContact CB-CD1 3.96Å; V245-Y253 HydrophobicContact CB-CE1 3.8Å; V245-Y253 HydrophobicContact CG2-CD1 4.03Å; V245-Y253 HydrophobicContact CG2-CE1 3.57Å
246	R	91.7	Very high	91.1	Very high	108 Å²	108	67 Å²	67	41%	0.408	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.5	170.1	-173.9	168.2	72.3	-178.7	3.6	108.4	W201 S248 N251 E252	W201-R246 HydrophobicContact CD2-CB 4.18Å; W201-R246 HydrophobicContact CE3-CB 3.62Å; W201-R246 HydrophobicContact CH2-CB 3.78Å; W201-R246 HydrophobicContact CZ2-CB 4.29Å; W201-R246 HydrophobicContact CZ3-CB 3.42Å; W201-R246 VanDerWaalsContact CZ3-CB 3.42Å; R246-S248 PolarHBondContact O-N 2.93Å; R246-N251 WeakPolarHBondContact O-CA 3.37Å; R246-E252 IonicContact CZ-OE1 3.23Å; R246-E252 IonicContact CZ-OE2 2.99Å; R246-E252 VanDerWaalsContact CZ-OE2 3.23Å; R246-E252 PolarHBondContact N-O 3.43Å; R246-E252 IonicContact NE-OE2 3.33Å; R246-E252 PolarHBondContact NE-OE2 2.83Å; R246-E252 IonicContact NH2-OE1 2.95Å; R246-E252 PolarHBondContact NH2-OE1 3.27Å; R246-E252 IonicContact NH2-OE2 2.76Å; R246-E252 PolarHBondContact NH2-OE2 2.92Å; R246-E252 PolarHBondContact O-N 3.42Å
247	R	86.8	Confident	91	Very high	230 Å²	230	71.9 Å²	71.9	87%	0.868	35%	0.347	S	S	*	.			trans	-78.6	112.6	179.3	-65.8	-174.7	-175.6	179.8	2.8	109.2
248	S	81.7	Confident	90.8	Very high	46 Å²	46	75.7 Å²	75.7	32%	0.322	36%	0.364	S	S	.	.	S	Bend	trans	-138.9	-178.9	174.3	63.8	0	0	0	0	108.4	R246 G250 N251 E252	R246-S248 PolarHBondContact O-N 2.93Å; S248-G250 PolarHBondContact O-N 3.15Å; S248-G250 VanDerWaalsContact O-N 3.11Å; S248-N251 PolarHBondContact O-N 3.3Å; S248-N251 VanDerWaalsContact O-N 3.16Å; S248-N251 PolarHBondContact OG-N 3.14Å; S248-E252 PolarHBondContact OG-OE2 3.32Å
249	K	81.1	Confident	90.8	Very high	229 Å²	229	73.3 Å²	73.3	100%	0.996	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-30.9	179.3	-167.5	178.6	178.3	-176.6	0	112.4
250	G	80.4	Confident	90.7	Very high	24 Å²	24	72.9 Å²	72.9	25%	0.247	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-5.9	178.2	0	0	0	0	0	115.9	T204 S248	T204-G250 WeakPolarHBondContact CB-O 3.22Å; T204-G250 PolarHBondContact N-O 3.31Å; T204-G250 PolarHBondContact OG1-O 3.4Å; S248-G250 PolarHBondContact O-N 3.15Å; S248-G250 VanDerWaalsContact O-N 3.11Å
251	N	90.1	Very high	90.7	Very high	62 Å²	62	72.9 Å²	72.9	33%	0.332	34%	0.344	S	S	.	.			trans	47.4	123.9	-160.5	-61.5	-55.9	0	0	0	113.1	T204 V245 R246 S248 Y253	T204-N251 PolarHBondContact N-O 2.84Å; T204-N251 PolarHBondContact OG1-O 2.96Å; V245-N251 HydrophobicContact CG2-CB 4.28Å; R246-N251 WeakPolarHBondContact O-CA 3.37Å; S248-N251 PolarHBondContact O-N 3.3Å; S248-N251 VanDerWaalsContact O-N 3.16Å; S248-N251 PolarHBondContact OG-N 3.14Å; N251-Y253 HydrophobicContact CB-CE2 4.29Å
252	E	92.9	Very high	90.6	Very high	27 Å²	27	68.3 Å²	68.3	13%	0.126	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	150.3	178.8	-52.6	145.1	122.1	0	0	111.6	W201 L202 E203 V245 R246 S248	W201-E252 HydrophobicContact CB-CB 3.73Å; W201-E252 HydrophobicContact CB-CG 4.36Å; W201-E252 HydrophobicContact CE3-CB 4.04Å; W201-E252 HydrophobicContact CG-CB 4.47Å; L202-E252 CarbonylContact O-C 3.6Å; L202-E252 VanDerWaalsContact O-CA 3.26Å; L202-E252 WeakPolarHBondContact O-CA 3.48Å; E203-E252 HydrophobicContact CG-CG 3.9Å; V245-E252 CarbonylContact C-O 3.55Å; V245-E252 WeakPolarHBondContact CA-O 3.44Å; R246-E252 IonicContact CZ-OE1 3.23Å; R246-E252 IonicContact CZ-OE2 2.99Å; R246-E252 VanDerWaalsContact CZ-OE2 3.23Å; R246-E252 PolarHBondContact N-O 3.43Å; R246-E252 IonicContact NE-OE2 3.33Å; R246-E252 PolarHBondContact NE-OE2 2.83Å; R246-E252 IonicContact NH2-OE1 2.95Å; R246-E252 PolarHBondContact NH2-OE1 3.27Å; R246-E252 IonicContact NH2-OE2 2.76Å; R246-E252 PolarHBondContact NH2-OE2 2.92Å; R246-E252 PolarHBondContact O-N 3.42Å; S248-E252 PolarHBondContact OG-OE2 3.32Å
253	Y	94.7	Very high	90.6	Very high	9 Å²	9	68.3 Å²	68.3	4%	0.035	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	147.1	-174.7	-61.5	-87.4	0	0	0	111.8	L202 T204 L207 W231 R234 I238 I243 E244 V245 N251	L202-Y253 PolarHBondContact N-O 3.05Å; L202-Y253 PolarHBondContact O-N 3.21Å; T204-Y253 WeakPolarHBondContact OG1-CE2 3.42Å; L207-Y253 HydrophobicContact CD2-CD2 3.69Å; L207-Y253 HydrophobicContact CD2-CE2 4.49Å; L207-Y253 HydrophobicContact CD2-CG 3.8Å; W231-Y253 HydrophobicContact CH2-CD2 4.4Å; W231-Y253 AromaticContact CH2-CE2 3.98Å; W231-Y253 HydrophobicContact CH2-CE2 3.98Å; W231-Y253 AromaticContact CZ2-CE2 3.87Å; W231-Y253 HydrophobicContact CZ2-CE2 3.87Å; R234-Y253 PolarHBondContact NE-OH 3.44Å; I238-Y253 HydrophobicContact CD1-CE1 4.28Å; I243-Y253 HydrophobicContact CD1-CD1 4.13Å; E244-Y253 WeakPolarHBondContact O-CA 3.37Å; V245-Y253 HydrophobicContact CB-CD1 3.96Å; V245-Y253 HydrophobicContact CB-CE1 3.8Å; V245-Y253 HydrophobicContact CG2-CD1 4.03Å; V245-Y253 HydrophobicContact CG2-CE1 3.57Å; N251-Y253 HydrophobicContact CB-CE2 4.29Å
254	R	93.2	Very high	90.4	Very high	94 Å²	94	71.6 Å²	71.6	36%	0.355	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	150.5	176.2	-172.5	-176.7	71.3	173.2	-1	110.5	W201 I243 E244	W201-R254 HydrophobicContact CD2-CB 4.17Å; W201-R254 HydrophobicContact CE3-CB 3.9Å; W201-R254 HydrophobicContact CH2-CB 4.32Å; W201-R254 HydrophobicContact CZ3-CB 3.96Å; I243-R254 CarbonylContact C-O 3.56Å; I243-R254 VanDerWaalsContact CA-O 3.32Å; I243-R254 WeakPolarHBondContact CA-O 3.22Å; E244-R254 PolarHBondContact N-O 2.9Å; E244-R254 PolarHBondContact O-N 2.82Å; E244-R254 VanDerWaalsContact O-N 3.1Å; E244-R254 IonicContact OE2-CZ 2.71Å; E244-R254 IonicContact OE2-NE 3.78Å; E244-R254 IonicContact OE2-NH2 2.75Å; E244-R254 PolarHBondContact OE2-NH2 3.4Å
255	L	93.2	Very high	90.2	Very high	19 Å²	19	76.3 Å²	76.3	10%	0.099	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	138.3	169.7	-74.3	166.9	0	0	0	111.5	L187 L190 Y191 I243	L187-L255 HydrophobicContact CD2-CD2 3.43Å; L187-L255 VanDerWaalsContact CD2-CD2 3.43Å; L190-L255 HydrophobicContact CB-CD1 3.86Å; L190-L255 HydrophobicContact CB-CD2 4.15Å; L190-L255 HydrophobicContact CB-CG 3.6Å; L190-L255 HydrophobicContact CD1-CD2 4.33Å; L190-L255 HydrophobicContact CD1-CG 4.25Å; Y191-L255 HydrophobicContact CD2-CD1 4.4Å; I243-L255 HydrophobicContact CG2-CD2 4.27Å
256	T	93.3	Very high	90	Very high	17 Å²	17	75 Å²	75	10%	0.104	34%	0.34	C	S	.	.			trans	-80.2	170.4	162.9	66.8	0	0	0	0	110.1	N241 M242 E244 K258 G259 R260	N241-T256 WeakPolarHBondContact O-CB 3.44Å; N241-T256 WeakPolarHBondContact O-CG2 3.4Å; N241-T256 PolarHBondContact O-OG1 3.41Å; M242-T256 WeakPolarHBondContact CA-OG1 3.23Å; M242-T256 PolarHBondContact O-N 3.21Å; M242-T256 VanDerWaalsContact O-N 3.15Å; M242-T256 PolarHBondContact O-OG1 3.31Å; E244-T256 HydrophobicContact CB-CG2 4.49Å; E244-T256 HydrophobicContact CG-CG2 3.68Å; T256-K258 PolarHBondContact O-N 3.03Å; T256-K258 PolarHBondContact OG1-N 3.27Å; T256-G259 PolarHBondContact O-N 3.38Å; T256-G259 VanDerWaalsContact O-N 3.17Å; T256-G259 PolarHBondContact OG1-N 2.78Å; T256-R260 WeakPolarHBondContact O-CB 3.48Å; T256-R260 PolarHBondContact O-N 2.88Å
257	L	90.5	Very high	89.8	Confident	157 Å²	157	70 Å²	70	82%	0.822	32%	0.322	S	S	*	.	H	α-helix	trans	-54.6	-39.6	171	-66.4	174.3	0	0	0	112.1	R260 S261	L257-R260 PolarHBondContact O-N 2.89Å; L257-S261 PolarHBondContact O-N 2.96Å; L257-S261 VanDerWaalsContact O-N 3.09Å
258	K	91.9	Very high	89.7	Confident	81 Å²	81	64.3 Å²	64.3	35%	0.352	30%	0.303	S	S	.	.	H	α-helix	trans	-66.9	-43.9	177.2	-174.4	176.1	-175.2	172.4	0	112	D174 M242 T256 R260 T262	D174-K258 IonicContact OD1-NZ 2.92Å; D174-K258 PolarHBondContact OD1-NZ 2.85Å; M242-K258 HydrophobicContact CG-CG 4.43Å; T256-K258 PolarHBondContact O-N 3.03Å; T256-K258 PolarHBondContact OG1-N 3.27Å; K258-R260 VanDerWaalsContact C-N 3.34Å; K258-T262 PolarHBondContact O-N 3.5Å; K258-T262 PolarHBondContact O-OG1 3.07Å
259	G	93.6	Very high	89.8	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-41.5	175	0	0	0	0	0	112.3	M242 T256 T262 A263	M242-G259 VanDerWaalsContact O-CA 3.29Å; M242-G259 WeakPolarHBondContact O-CA 3.37Å; T256-G259 PolarHBondContact O-N 3.38Å; T256-G259 VanDerWaalsContact O-N 3.17Å; T256-G259 PolarHBondContact OG1-N 2.78Å; G259-T262 PolarHBondContact O-N 3.45Å; G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 3.36Å
260	R	91.6	Very high	89.8	Confident	122 Å²	122	55.1 Å²	55.1	46%	0.46	27%	0.268	S	S	.	.	H	α-helix	trans	-61.9	-47.9	178.8	-165.6	177	-162.2	172.8	6.6	111.9	Y191 T256 L257 K258 T262 A263 E264	Y191-R260 HydrophobicContact CD2-CG 4.36Å; Y191-R260 HydrophobicContact CE2-CG 4.33Å; T256-R260 WeakPolarHBondContact O-CB 3.48Å; T256-R260 PolarHBondContact O-N 2.88Å; L257-R260 PolarHBondContact O-N 2.89Å; K258-R260 VanDerWaalsContact C-N 3.34Å; R260-T262 VanDerWaalsContact C-N 3.28Å; R260-T262 PolarHBondContact O-N 3.33Å; R260-A263 PolarHBondContact O-N 3.28Å; R260-E264 WeakPolarHBondContact O-CB 3.24Å; R260-E264 PolarHBondContact O-N 2.74Å
261	S	91.2	Very high	89.7	Confident	50 Å²	50	59.7 Å²	59.7	35%	0.35	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-38.3	176.2	-177	0	0	0	0	112.4	L257 R265	L257-S261 PolarHBondContact O-N 2.96Å; L257-S261 VanDerWaalsContact O-N 3.09Å; S261-R265 WeakPolarHBondContact O-CG 3.41Å; S261-R265 PolarHBondContact O-N 3.08Å
262	T	91	Very high	88.9	Confident	19 Å²	19	63.6 Å²	63.6	12%	0.117	30%	0.299	C	S	.	.	H	α-helix	trans	-69.6	-42	177.8	-51.1	0	0	0	0	111.5	L187 M242 K258 G259 R260 R265 F266	L187-T262 HydrophobicContact CD1-CG2 4.33Å; M242-T262 HydrophobicContact SD-CG2 4.34Å; K258-T262 PolarHBondContact O-N 3.5Å; K258-T262 PolarHBondContact O-OG1 3.07Å; G259-T262 PolarHBondContact O-N 3.45Å; R260-T262 VanDerWaalsContact C-N 3.28Å; R260-T262 PolarHBondContact O-N 3.33Å; T262-R265 PolarHBondContact O-N 3.05Å; T262-F266 HydrophobicContact CG2-CE2 3.95Å; T262-F266 HydrophobicContact CG2-CZ 3.9Å; T262-F266 WeakPolarHBondContact O-CG 3.37Å; T262-F266 PolarHBondContact O-N 3.39Å
263	A	91.9	Very high	87.3	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-70.3	-33.4	178.9	0	0	0	0	0	112.9	L187 Y191 G259 R260 F266 A267	L187-A263 HydrophobicContact CB-CB 4.26Å; Y191-A263 HydrophobicContact CD2-CB 3.76Å; Y191-A263 HydrophobicContact CG-CB 3.81Å; G259-A263 WeakPolarHBondContact O-CB 3.44Å; G259-A263 PolarHBondContact O-N 3.36Å; R260-A263 PolarHBondContact O-N 3.28Å; A263-F266 WeakPolarHBondContact O-CB 3.5Å; A263-F266 PolarHBondContact O-N 3.35Å; A263-A267 PolarHBondContact O-N 3.43Å
264	E	90.3	Very high	85.4	Confident	73 Å²	73	75.1 Å²	75.1	34%	0.341	35%	0.351	S	S	.	.	H	α-helix	trans	-64.1	-40	173	-173.1	-174.7	165.8	0	0	111.5	Y191 R260 F266 A267 K268	Y191-E264 HydrophobicContact CE2-CB 3.92Å; R260-E264 WeakPolarHBondContact O-CB 3.24Å; R260-E264 PolarHBondContact O-N 2.74Å; E264-F266 VanDerWaalsContact C-N 3.3Å; E264-F266 PolarHBondContact O-N 3.26Å; E264-A267 WeakPolarHBondContact O-CB 3.06Å; E264-A267 PolarHBondContact O-N 2.92Å; E264-A267 VanDerWaalsContact O-N 3.12Å; E264-K268 PolarHBondContact O-N 3.44Å; E264-K268 IonicContact OE1-NZ 2.73Å; E264-K268 PolarHBondContact OE1-NZ 2.95Å
265	R	89.7	Confident	83.1	Confident	178 Å²	178	75.9 Å²	75.9	67%	0.672	37%	0.369	S	S	*	.	H	α-helix	trans	-61.8	-39.1	172.9	-69.7	175.4	-169.4	-178.7	2.5	112	S261 T262 A267 A269	S261-R265 WeakPolarHBondContact O-CG 3.41Å; S261-R265 PolarHBondContact O-N 3.08Å; T262-R265 PolarHBondContact O-N 3.05Å; R265-A267 VanDerWaalsContact C-N 3.32Å; R265-A269 WeakPolarHBondContact O-CB 3.45Å; R265-A269 PolarHBondContact O-N 3.42Å; R265-A269 VanDerWaalsContact O-N 3.12Å
266	F	90.2	Very high	80.8	Confident	31 Å²	31	81.6 Å²	81.6	14%	0.136	40%	0.4	C	S	.	.	H	α-helix	trans	-66	-33.8	173.7	-65.5	-24.6	0	0	0	112.7	V176 F184 L187 T262 A263 E264 L270	V176-F266 HydrophobicContact CG1-CE1 3.98Å; V176-F266 HydrophobicContact CG1-CZ 3.84Å; F184-F266 HydrophobicContact CD2-CB 4.41Å; F184-F266 HydrophobicContact CD2-CD1 4.28Å; F184-F266 AromaticContact CD2-CD2 3.54Å; F184-F266 HydrophobicContact CD2-CD2 3.54Å; F184-F266 HydrophobicContact CD2-CE1 4.44Å; F184-F266 AromaticContact CD2-CE2 3.72Å; F184-F266 HydrophobicContact CD2-CE2 3.72Å; F184-F266 AromaticContact CD2-CG 3.84Å; F184-F266 HydrophobicContact CD2-CG 3.84Å; F184-F266 HydrophobicContact CD2-CZ 4.18Å; F184-F266 HydrophobicContact CE2-CB 3.76Å; F184-F266 HydrophobicContact CE2-CD1 4.2Å; F184-F266 AromaticContact CE2-CD2 3.77Å; F184-F266 HydrophobicContact CE2-CD2 3.77Å; F184-F266 HydrophobicContact CE2-CE2 4.39Å; F184-F266 AromaticContact CE2-CG 3.66Å; F184-F266 HydrophobicContact CE2-CG 3.66Å; L187-F266 HydrophobicContact CD1-CE2 4.05Å; T262-F266 HydrophobicContact CG2-CE2 3.95Å; T262-F266 HydrophobicContact CG2-CZ 3.9Å; T262-F266 WeakPolarHBondContact O-CG 3.37Å; T262-F266 PolarHBondContact O-N 3.39Å; A263-F266 WeakPolarHBondContact O-CB 3.5Å; A263-F266 PolarHBondContact O-N 3.35Å; E264-F266 VanDerWaalsContact C-N 3.3Å; E264-F266 PolarHBondContact O-N 3.26Å; F266-L270 WeakPolarHBondContact O-CG 3.46Å; F266-L270 PolarHBondContact O-N 3.12Å
267	A	86.3	Confident	78.5	Confident	3 Å²	3	86.8 Å²	86.8	3%	0.025	43%	0.427	C	S	.	.	H	α-helix	trans	-65	-52.6	175.6	0	0	0	0	0	112.2	Y191 A263 E264 R265 A269 L270 E271	Y191-A267 HydrophobicContact CD1-CB 4.4Å; Y191-A267 HydrophobicContact CE1-CB 3.78Å; A263-A267 PolarHBondContact O-N 3.43Å; E264-A267 WeakPolarHBondContact O-CB 3.06Å; E264-A267 PolarHBondContact O-N 2.92Å; E264-A267 VanDerWaalsContact O-N 3.12Å; R265-A267 VanDerWaalsContact C-N 3.32Å; A267-A269 PolarHBondContact O-N 3.4Å; A267-L270 PolarHBondContact O-N 2.51Å; A267-L270 VanDerWaalsContact O-N 3.11Å; A267-E271 PolarHBondContact O-N 3.45Å
268	K	85.4	Confident	76.1	Confident	109 Å²	109	85.1 Å²	85.1	47%	0.474	42%	0.423	S	S	.	.	H	α-helix	trans	-59.1	-46.1	-179.9	-74.4	173.1	169.4	162	0	111.8	E264 L270 E271 E272	E264-K268 PolarHBondContact O-N 3.44Å; E264-K268 IonicContact OE1-NZ 2.73Å; E264-K268 PolarHBondContact OE1-NZ 2.95Å; K268-L270 PolarHBondContact O-N 2.78Å; K268-E271 PolarHBondContact O-N 2.87Å; K268-E272 WeakPolarHBondContact O-CG 3.26Å; K268-E272 PolarHBondContact O-N 3.14Å
269	A	83.7	Confident	73.4	Confident	48 Å²	48	89 Å²	89	40%	0.397	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-24.4	178.3	0	0	0	0	0	114	R265 A267	R265-A269 WeakPolarHBondContact O-CB 3.45Å; R265-A269 PolarHBondContact O-N 3.42Å; R265-A269 VanDerWaalsContact O-N 3.12Å; A267-A269 PolarHBondContact O-N 3.4Å
270	L	80.9	Confident	70.7	Confident	35 Å²	35	95.2 Å²	95.2	18%	0.183	49%	0.486	C	S	.	.	H	α-helix	trans	-89.3	-31.1	176.7	-75.6	175.5	0	0	0	113.5	Y179 F184 F266 A267 K268 E272 Q273 K274	Y179-L270 HydrophobicContact CE2-CD1 4.32Å; Y179-L270 HydrophobicContact CE2-CD2 3.68Å; Y179-L270 HydrophobicContact CE2-CG 4.42Å; Y179-L270 WeakPolarHBondContact OH-CD2 3.41Å; F184-L270 HydrophobicContact CZ-CD1 3.99Å; F266-L270 WeakPolarHBondContact O-CG 3.46Å; F266-L270 PolarHBondContact O-N 3.12Å; A267-L270 PolarHBondContact O-N 2.51Å; A267-L270 VanDerWaalsContact O-N 3.11Å; K268-L270 PolarHBondContact O-N 2.78Å; L270-E272 VanDerWaalsContact C-N 3.31Å; L270-Q273 PolarHBondContact O-N 3.11Å; L270-K274 PolarHBondContact O-N 3.32Å
271	E	78.4	Confident	67.8	Low	119 Å²	119	96.1 Å²	96.1	56%	0.556	51%	0.505	S	S	*	.	H	α-helix	trans	-65.5	-39.3	172.2	-75.2	166.7	-166.3	0	0	110.6	A267 K268 Q273 K274	A267-E271 PolarHBondContact O-N 3.45Å; K268-E271 PolarHBondContact O-N 2.87Å; E271-Q273 PolarHBondContact O-N 3.21Å; E271-K274 PolarHBondContact O-N 3.01Å; E271-K274 VanDerWaalsContact O-N 3.16Å
272	E	72.2	Confident	65.1	Low	144 Å²	144	98.9 Å²	98.9	67%	0.673	52%	0.524	S	S	*	.	H	α-helix	trans	-59.8	-30.4	173.3	-71.8	168.1	-171.8	0	0	112.6	K268 L270	K268-E272 WeakPolarHBondContact O-CG 3.26Å; K268-E272 PolarHBondContact O-N 3.14Å; L270-E272 VanDerWaalsContact C-N 3.31Å
273	Q	60.3	Low	62.4	Low	118 Å²	118	107 Å²	107	55%	0.551	56%	0.561	S	S	*	*	H	α-helix	trans	-81.7	-26.2	176.5	-73	-179.5	-9.7	0	0	113.8	L270 E271	L270-Q273 PolarHBondContact O-N 3.11Å; E271-Q273 PolarHBondContact O-N 3.21Å
274	K	55.3	Low	59.4	Low	161 Å²	161	111 Å²	111	70%	0.7	59%	0.594	S	S	*	*	H	α-helix	trans	-80	-18.9	-175.9	-85.8	-175.8	176.2	-178.4	0	114.6	L270 E271 D276	L270-K274 PolarHBondContact O-N 3.32Å; E271-K274 PolarHBondContact O-N 3.01Å; E271-K274 VanDerWaalsContact O-N 3.16Å; K274-D276 PolarHBondContact O-N 3.41Å
275	C	45.3	Very low	56.6	Low	109 Å²	109	117.1 Å²	117.1	74%	0.736	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.9	-10.9	177.7	-68.7	0	0	0	0	113.3
276	D	44.5	Very low	53.5	Low	139 Å²	139	112 Å²	112	74%	0.743	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-13.9	-179.4	-66.6	-30.1	0	0	0	113.9	K274	K274-D276 PolarHBondContact O-N 3.41Å
277	D	43.7	Very low	50.6	Low	126 Å²	126	118.4 Å²	118.4	67%	0.674	66%	0.657	S	S	*	*			trans	-107.2	4.5	-166.9	-83.7	-29	0	0	0	116.7	N279	D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 2.92Å; D277-N279 VanDerWaalsContact O-N 3.15Å
278	V	41.5	Very low	47.8	Very low	122 Å²	122	126.4 Å²	126.4	74%	0.739	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.4	1.5	-169.4	-177.7	0	0	0	0	114.8
279	N	35	Very low	45.1	Very low	163 Å²	163	126 Å²	126	87%	0.872	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	4.6	-171.6	-96	-11.6	0	0	0	118.1	D277	D277-N279 VanDerWaalsContact C-N 3.27Å; D277-N279 PolarHBondContact O-N 2.92Å; D277-N279 VanDerWaalsContact O-N 3.15Å
280	T	35.4	Very low	42.3	Very low	130 Å²	130	134.7 Å²	134.7	80%	0.798	73%	0.727	S	S	*	*			trans	-148	87.2	178.9	-36.2	0	0	0	0	114.1
281	T	30.8	Very low	39.9	Very low	142 Å²	142	141.8 Å²	141.8	87%	0.871	76%	0.759	S	S	*	*			trans	-126.2	99.9	164	41.4	0	0	0	0	111.2
282	S	35.5	Very low	37.4	Very low	108 Å²	108	139.1 Å²	139.1	76%	0.755	76%	0.763	S	S	*	*			trans	-164.1	135.7	151.1	59.5	0	0	0	0	110.5
283	H	34	Very low	35.3	Very low	189 Å²	189	140.4 Å²	140.4	88%	0.875	77%	0.774	S	S	*	*			trans	88.9	87	169	-92	-80	0	0	0	119.8
284	A	28.6	Very low	33.9	Very low	84 Å²	84	140.5 Å²	140.5	69%	0.694	79%	0.785	S	S	*	*			trans	-55.2	144.2	154	0	0	0	0	0	113.9
285	K	31.1	Very low	32.4	Very low	201 Å²	201	136.7 Å²	136.7	87%	0.874	79%	0.792	S	S	*	*				161.5	135.7	114	-89.7	177	178.8	176.7	0	109.6
286	G	26.4	Very low	31.6	Very low	72 Å²	72	136.3 Å²	136.3	74%	0.742	80%	0.796	S	S	*	*			trans	-60.6	146.9	-171.9	0	0	0	0	0	114.5
287	L	28.9	Very low	30.6	Very low	165 Å²	165	141.5 Å²	141.5	86%	0.864	81%	0.806	S	S	*	*			trans	-142.6	129.5	160.2	-120.1	98.4	0	0	0	109.7	V289	L287-V289 HydrophobicContact CD2-CG2 4.04Å
288	L	27	Very low	29.9	Very low	170 Å²	170	146.2 Å²	146.2	89%	0.89	82%	0.815	S	S	*	*			trans	-88.3	107.4	175.8	-174.6	158.6	0	0	0	107.1
289	V	28.9	Very low	29.2	Very low	100 Å²	100	148.8 Å²	148.8	61%	0.606	82%	0.819	S	S	*	*			trans	-148.9	128.4	171.6	-177.1	0	0	0	0	111.7	L287	L287-V289 HydrophobicContact CD2-CG2 4.04Å
290	R	24.4	Very low	28.6	Very low	232 Å²	232	150.7 Å²	150.7	88%	0.875	82%	0.82	S	S	*	*			trans	-58.2	138.4	166.3	-66.6	171.3	166.3	-172.1	-4.3	111
291	H	31.5	Very low	28.1	Very low	183 Å²	183	152.9 Å²	152.9	85%	0.847	82%	0.818	S	S	*	*			trans	-130.3	123	152	-86.5	-76.3	0	0	0	110
292	G	25.3	Very low	27.9	Very low	63 Å²	63	151.2 Å²	151.2	65%	0.649	81%	0.812	S	S	*	*			trans	-101.4	178	162.5	0	0	0	0	0	111.2
293	L	28	Very low	27.4	Very low	172 Å²	172	154.3 Å²	154.3	90%	0.901	81%	0.814	S	S	*	*			trans	90	156	162.8	-63.2	168.8	0	0	0	117
294	P	30	Very low	27	Very low	119 Å²	119	151.7 Å²	151.7	77%	0.773	81%	0.814	S	S	*	*			cis	-137.5	154.7	-9.6	20.7	3.6	0	0	0	116.5
295	G	24.5	Very low	27	Very low	82 Å²	82	150.6 Å²	150.6	85%	0.845	81%	0.811	S	S	*	*				78.5	93.4	126.5	0	0	0	0	0	121
296	A	29.2	Very low	27	Very low	101 Å²	101	147 Å²	147	84%	0.835	81%	0.808	S	S	*	*			trans	-146.2	111.5	137.6	0	0	0	0	0	109.2
297	R	23.8	Very low	27.3	Very low	248 Å²	248	147.4 Å²	147.4	94%	0.936	80%	0.799	S	S	*	*			trans	-83.5	107.5	-178.4	-135.3	179.8	-173.2	177.3	0.7	107.3
298	Y	27.2	Very low	27.8	Very low	225 Å²	225	143.8 Å²	143.8	88%	0.882	78%	0.777	S	S	*	*			trans	-119	121.1	156.3	-95.3	-85.5	0	0	0	108.7	K300	Y298-K300 PolarHBondContact O-N 3.23Å
299	Q	26.7	Very low	28.2	Very low	176 Å²	176	140.8 Å²	140.8	82%	0.822	76%	0.757	S	S	*	*			trans	-62.3	125.6	-176.4	-86.7	167.4	-39.4	0	0	110.9	F301	Q299-F301 PolarHBondContact O-N 2.98Å
300	K	24	Very low	28.4	Very low	202 Å²	202	141.8 Å²	141.8	88%	0.878	76%	0.759	S	S	*	*			trans	-60	122.5	161.4	-78.9	175.9	172.8	175.5	0	109.5	Y298	Y298-K300 PolarHBondContact O-N 3.23Å
301	F	25.2	Very low	28.7	Very low	176 Å²	176	138.7 Å²	138.7	77%	0.772	76%	0.76	S	S	*	*			trans	-132.7	120.2	150.7	-98.3	-87.5	0	0	0	108.6	Q299	Q299-F301 PolarHBondContact O-N 2.98Å
302	C	25.3	Very low	28.5	Very low	108 Å²	108	133.3 Å²	133.3	73%	0.73	75%	0.754	S	S	*	*	S	Bend	trans	48	127.3	147.2	-57.4	0	0	0	0	119.3
303	E	25.2	Very low	28.8	Very low	173 Å²	173	138.9 Å²	138.9	81%	0.808	77%	0.767	S	S	*	*			cis	-159.3	152	-6	-83	-175.1	154.9	0	0	103.6	G305	E303-G305 PolarHBondContact O-N 3.1Å
304	P	26.3	Very low	28.9	Very low	134 Å²	134	140.7 Å²	140.7	87%	0.87	77%	0.768	S	S	*	*			trans	-71.8	105.3	-177.6	28.4	-29.9	0	0	0	110.4
305	G	28.2	Very low	28.8	Very low	61 Å²	61	144.5 Å²	144.5	63%	0.629	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-56.4	152.5	169.7	0	0	0	0	0	111.9	E303 S307	E303-G305 PolarHBondContact O-N 3.1Å; G305-S307 PolarHBondContact O-N 3.44Å
306	P	31.6	Very low	29.1	Very low	126 Å²	126	152.3 Å²	152.3	82%	0.818	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-64.3	129	-169	25.6	-32.4	0	0	0	111.2	F308	P306-F308 PolarHBondContact O-N 2.91Å
307	S	32.8	Very low	28.9	Very low	79 Å²	79	151.7 Å²	151.7	55%	0.552	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-48.6	123.4	178.7	56.7	0	0	0	0	111.9	G305 F309	G305-S307 PolarHBondContact O-N 3.44Å; S307-F309 PolarHBondContact O-N 2.87Å
308	F	38.7	Very low	29.3	Very low	90 Å²	90	147.2 Å²	147.2	40%	0.395	76%	0.759	S	S	.	*	T	Hydrogen-bonded Turn	trans	-66.3	-8.4	-170.6	-138.3	-98.7	0	0	0	114.9	P306 E603	P306-F308 PolarHBondContact O-N 2.91Å; F308-E603 HydrophobicContact CZ-CG 4.36Å; F308-E603 VanDerWaalsContact CZ-OE1 3.25Å; F308-E603 WeakPolarHBondContact CZ-OE1 3.43Å
309	F	35.9	Very low	29.4	Very low	106 Å²	106	143.5 Å²	143.5	47%	0.465	75%	0.754	S	S	.	*	T	Hydrogen-bonded Turn	trans	-138.4	12.9	-169.4	-74.3	-71.9	0	0	0	117.2	S307 A617	S307-F309 PolarHBondContact O-N 2.87Å; F309-A617 HydrophobicContact CD1-CB 4.06Å; F309-A617 HydrophobicContact CD2-CB 4.46Å; F309-A617 HydrophobicContact CE1-CB 4.05Å; F309-A617 HydrophobicContact CE2-CB 4.45Å; F309-A617 HydrophobicContact CG-CB 4.28Å; F309-A617 HydrophobicContact CZ-CB 4.25Å
310	N	31.9	Very low	29.7	Very low	121 Å²	121	141.6 Å²	141.6	65%	0.647	75%	0.754	S	S	*	*			trans	-125.2	109.6	177.6	-87.3	-22.9	0	0	0	113.5
311	D	30.7	Very low	29.8	Very low	168 Å²	168	139.7 Å²	139.7	90%	0.898	75%	0.748	S	S	*	*			trans	-82.2	101.1	154.6	-110.7	-26.3	0	0	0	107.1
312	G	28.8	Very low	30.2	Very low	70 Å²	70	136.6 Å²	136.6	72%	0.722	75%	0.746	S	S	*	*			trans	-99.7	106.9	-178.5	0	0	0	0	0	112.1
313	L	29.9	Very low	30.4	Very low	179 Å²	179	138.1 Å²	138.1	94%	0.937	75%	0.747	S	S	*	*			trans	-79.1	112.3	157	-83.4	161.9	0	0	0	108.6
314	K	32	Very low	30.9	Very low	210 Å²	210	137.7 Å²	137.7	91%	0.913	75%	0.749	S	S	*	*			trans	-114	110.1	163.9	-82.1	-175.8	176.5	178.6	0	108.6
315	Q	27.1	Very low	31.3	Very low	199 Å²	199	136.8 Å²	136.8	93%	0.93	75%	0.746	S	S	*	*			trans	-87	139	164.5	-84.4	179	-20	0	0	109.8
316	R	30.1	Very low	31.6	Very low	246 Å²	246	137.8 Å²	137.8	93%	0.928	76%	0.756	S	S	*	*			trans	-122.8	131.4	168.7	-155.1	176.7	-171.3	-171.8	-0	107.2
317	S	26.5	Very low	31.6	Very low	88 Å²	88	139.4 Å²	139.4	62%	0.615	76%	0.758	S	S	*	*			trans	-125.1	132.7	-176.4	160.9	0	0	0	0	108.4
318	E	31	Very low	31.7	Very low	155 Å²	155	141 Å²	141	72%	0.724	77%	0.769	S	S	*	*			trans	-160.9	104.5	156.1	-108.5	160.9	-178.4	0	0	106
319	L	30.5	Very low	31.5	Very low	147 Å²	147	146 Å²	146	77%	0.77	79%	0.791	S	S	*	*				67.4	126.8	101.5	-64.2	175.1	0	0	0	111.8
320	T	31.4	Very low	31.4	Very low	136 Å²	136	147 Å²	147	83%	0.834	81%	0.806	S	S	*	*			cis	-172	148.5	40.6	-37.9	0	0	0	0	110
321	E	27.4	Very low	31.4	Very low	162 Å²	162	147.2 Å²	147.2	76%	0.757	81%	0.814	S	S	*	*			trans	-85.1	164	174.7	-76.4	-80.1	157.3	0	0	112.3
322	P	33.4	Very low	31.2	Very low	110 Å²	110	143.7 Å²	143.7	71%	0.714	81%	0.808	S	S	*	*				-153.8	149.2	81.2	37.7	-15.7	0	0	0	120
323	D	28.5	Very low	31.3	Very low	140 Å²	140	145.9 Å²	145.9	75%	0.749	81%	0.809	S	S	*	*			trans	44.9	129	135	-62.1	-30.4	0	0	0	122.8
324	L	35.9	Very low	31.2	Very low	165 Å²	165	145.8 Å²	145.8	86%	0.864	80%	0.804	S	S	*	*				-179.7	118.9	116.7	-89.6	170.1	0	0	0	114.3
325	S	34.9	Very low	31	Very low	114 Å²	114	143 Å²	143	80%	0.797	80%	0.799	S	S	*	*			trans	11.9	140.2	148.7	60.9	0	0	0	0	124.7
326	G	34.7	Very low	31.2	Very low	82 Å²	82	141.1 Å²	141.1	85%	0.845	79%	0.791	S	S	*	*			trans	156.8	108.4	145.4	0	0	0	0	0	117.4
327	D	31.5	Very low	31.1	Very low	161 Å²	161	135.3 Å²	135.3	86%	0.861	78%	0.784	S	S	*	*			trans	-61.9	149.8	-177.3	-77	-53.9	0	0	0	117.6
328	S	35.2	Very low	31.2	Very low	113 Å²	113	138.7 Å²	138.7	79%	0.79	80%	0.795	S	S	*	*				157.9	105.7	116	-66.7	0	0	0	0	116.3
329	K	33.9	Very low	31	Very low	194 Å²	194	136.7 Å²	136.7	84%	0.843	78%	0.784	S	S	*	*			trans	50.4	111.5	131.2	-74	179.8	179.6	174.6	0	124.5
330	T	34.1	Very low	30.9	Very low	128 Å²	128	134 Å²	134	79%	0.785	78%	0.777	S	S	*	*				72.1	155.7	128.7	42.7	0	0	0	0	123
331	P	32.5	Very low	30.9	Very low	124 Å²	124	138.7 Å²	138.7	81%	0.805	78%	0.78	S	S	*	*				-132.2	176.5	-51.4	35.3	-15	0	0	0	113.9
332	A	26.2	Very low	30.9	Very low	94 Å²	94	137.6 Å²	137.6	78%	0.777	78%	0.779	S	S	*	*			trans	-71.5	166.6	-166.6	0	0	0	0	0	118.7
333	P	30.2	Very low	30.7	Very low	116 Å²	116	138.8 Å²	138.8	75%	0.753	77%	0.773	S	S	*	*				-138.2	144.5	119.3	36.9	-22.9	0	0	0	116
334	E	29.1	Very low	30.6	Very low	177 Å²	177	136.6 Å²	136.6	83%	0.827	77%	0.765	S	S	*	*			trans	44.8	128.4	138.4	-55.3	-177.7	169.8	0	0	123.5
335	D	27.5	Very low	30.1	Very low	152 Å²	152	135 Å²	135	81%	0.813	76%	0.755	S	S	*	*			trans	61.1	115.9	150.7	-63.7	-25.9	0	0	0	123
336	E	30.1	Very low	29.8	Very low	160 Å²	160	135.4 Å²	135.4	75%	0.748	75%	0.748	S	S	*	*			trans	164.6	123.3	139.7	-97.8	-77.3	155.7	0	0	111.7	L338	E336-L338 PolarHBondContact O-N 2.79Å
337	P	29.4	Very low	29.3	Very low	123 Å²	123	139.4 Å²	139.4	80%	0.799	75%	0.745	S	S	*	*			trans	-89.4	100.4	173.1	32.5	-26	0	0	0	111.4
338	L	27.1	Very low	29.1	Very low	160 Å²	160	138.9 Å²	138.9	84%	0.838	74%	0.742	S	S	*	*			trans	-68.9	142.5	179.6	-72.7	164.8	0	0	0	115	E336	E336-L338 PolarHBondContact O-N 2.79Å
339	F	27.2	Very low	28.7	Very low	113 Å²	113	142.3 Å²	142.3	50%	0.496	75%	0.746	S	S	.	*			trans	-54.2	155.4	168	-96	-109.8	0	0	0	114.5	Y547 K551	F339-Y547 AromaticContact CE2-CE2 3.91Å; F339-Y547 HydrophobicContact CE2-CE2 3.91Å; F339-Y547 WeakPolarHBondContact CE2-OH 3.25Å; F339-Y547 AromaticContact CZ-CE2 3.71Å; F339-Y547 HydrophobicContact CZ-CE2 3.71Å; F339-Y547 AromaticContact CZ-CZ 3.56Å; F339-Y547 WeakPolarHBondContact CZ-OH 3.31Å; F339-K551 HydrophobicContact CE1-CD 3.98Å; F339-K551 HydrophobicContact CZ-CD 3.66Å; F339-K551 HydrophobicContact CZ-CG 4.28Å; F339-K551 VanDerWaalsContact CZ-NZ 3.29Å
340	S	28	Very low	28.3	Very low	89 Å²	89	139.2 Å²	139.2	62%	0.622	75%	0.748	S	S	*	*				-172.2	119	126.4	-88.6	0	0	0	0	114.1
341	R	31.6	Very low	28	Very low	235 Å²	235	136.2 Å²	136.2	89%	0.887	74%	0.743	S	S	*	*	S	Bend		-133.4	119.1	127.9	-109.5	-179.1	173.2	173	-2.9	105.7
342	N	28.5	Very low	27.6	Very low	140 Å²	140	137.7 Å²	137.7	75%	0.749	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-57.8	135.7	-165.7	-65.7	-21.1	0	0	0	113.2
343	F	28.8	Very low	27.8	Very low	134 Å²	134	140.8 Å²	140.8	59%	0.588	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-102.2	120.7	173.2	-157.1	-90.8	0	0	0	107.8	V553	F343-V553 HydrophobicContact CE1-CB 4.15Å; F343-V553 HydrophobicContact CE1-CG1 3.84Å; F343-V553 HydrophobicContact CE1-CG2 4.49Å; F343-V553 HydrophobicContact CE2-CB 3.7Å; F343-V553 HydrophobicContact CE2-CG1 4.22Å; F343-V553 HydrophobicContact CE2-CG2 4.21Å; F343-V553 HydrophobicContact CZ-CB 3.33Å; F343-V553 HydrophobicContact CZ-CG1 3.33Å; F343-V553 HydrophobicContact CZ-CG2 4Å
344	V	27	Very low	27.6	Very low	94 Å²	94	141.4 Å²	141.4	57%	0.57	74%	0.743	S	S	*	*	P	Polyproline II helix	trans	-83.2	119.2	171.7	177.9	0	0	0	0	107.2	L346	V344-L346 PolarHBondContact O-N 3.04Å
345	I	25.5	Very low	27.4	Very low	131 Å²	131	141.4 Å²	141.4	67%	0.672	74%	0.743	S	S	*	*			trans	-78.6	114.6	170.6	-56.6	174.1	0	0	0	106.4	E347	I345-E347 HydrophobicContact CG2-CG 3.87Å
346	L	27.4	Very low	27.5	Very low	123 Å²	123	140.9 Å²	140.9	64%	0.644	75%	0.745	S	S	*	*			trans	-98.1	98.5	162.5	-80.5	164.5	0	0	0	107	V344 N348 L579	V344-L346 PolarHBondContact O-N 3.04Å; L346-N348 PolarHBondContact O-N 2.66Å; L346-L579 HydrophobicContact CD1-CD2 4.5Å
347	E	23.8	Very low	27.4	Very low	167 Å²	167	137.5 Å²	137.5	78%	0.78	74%	0.744	S	S	*	*			trans	-74.1	110.5	160.7	-64.9	-178.9	163.8	0	0	106.4	I345	I345-E347 HydrophobicContact CG2-CG 3.87Å
348	N	29.1	Very low	27.2	Very low	150 Å²	150	143.3 Å²	143.3	80%	0.802	75%	0.75	S	S	*	*			trans	-119.2	113	163.8	-89.4	0.4	0	0	0	108.8	L346	L346-N348 PolarHBondContact O-N 2.66Å
349	E	25.7	Very low	27.3	Very low	184 Å²	184	143.7 Å²	143.7	86%	0.86	75%	0.753	S	S	*	*			trans	-56.6	148.8	171.7	-61.1	177.1	141.1	0	0	111.1	G351	E349-G351 PolarHBondContact O-N 2.77Å
350	S	26.4	Very low	27.3	Very low	129 Å²	129	142.5 Å²	142.5	90%	0.902	76%	0.764	S	S	*	*			trans	-43.7	115.4	174.4	41.8	0	0	0	0	113.6
351	G	27.5	Very low	27.6	Very low	66 Å²	66	143.5 Å²	143.5	68%	0.68	77%	0.771	S	S	*	*			trans	-140.4	112	171.5	0	0	0	0	0	110.9	E349	E349-G351 PolarHBondContact O-N 2.77Å
352	N	23.7	Very low	28.2	Very low	154 Å²	154	134.5 Å²	134.5	82%	0.824	74%	0.743	S	S	*	*			trans	-68.7	121.4	177.1	-163.9	21.4	0	0	0	110
353	I	30.9	Very low	29.3	Very low	160 Å²	160	132.2 Å²	132.2	82%	0.821	74%	0.737	S	S	*	*			trans	-144.4	116	168	-38.7	174	0	0	0	109.9
354	D	25.7	Very low	30.6	Very low	128 Å²	128	125.8 Å²	125.8	68%	0.684	71%	0.709	S	S	*	*			trans	-61	159.4	176.3	-74.7	-56.3	0	0	0	114.7
355	E	25.7	Very low	32.3	Very low	178 Å²	178	122.5 Å²	122.5	83%	0.832	69%	0.688	S	S	*	*			trans	39.5	121.7	151.9	-67.9	-170.7	138	0	0	119.5
356	V	27.9	Very low	34	Very low	141 Å²	141	121 Å²	121	86%	0.855	68%	0.678	S	S	*	*				170	139.8	118.4	157.7	0	0	0	0	111.5
357	A	29	Very low	35.7	Very low	88 Å²	88	118.9 Å²	118.9	73%	0.727	68%	0.679	S	S	*	*			trans	80.6	85	162.4	0	0	0	0	0	118.6
358	R	25.4	Very low	37.7	Very low	246 Å²	246	114.6 Å²	114.6	93%	0.928	66%	0.661	S	S	*	*			trans	-65	117.4	148.8	-67.2	175.6	174.1	116.7	0.9	108.3
359	D	28.9	Very low	39.5	Very low	168 Å²	168	116.8 Å²	116.8	90%	0.898	66%	0.658	S	S	*	*			trans	-153.2	145.9	151.8	-95.4	-31.4	0	0	0	111.1
360	A	27.8	Very low	41.5	Very low	87 Å²	87	108.3 Å²	108.3	72%	0.719	62%	0.619	S	S	*	*			trans	-84.6	163.4	-144.6	0	0	0	0	0	116.3
361	S	32.7	Very low	43.4	Very low	111 Å²	111	107.6 Å²	107.6	78%	0.776	61%	0.611	S	S	*	*	S	Bend	trans	87.3	53.3	152.5	70	0	0	0	0	120.8
362	T	44.2	Very low	45.4	Very low	46 Å²	46	111.4 Å²	111.4	28%	0.282	61%	0.611	S	S	.	*			trans	-166.3	96.4	133.8	-9.9	0	0	0	0	109.2	G364 L365 R378 L450	T362-G364 PolarHBondContact O-N 3.04Å; T362-L365 PolarHBondContact O-N 3.48Å; T362-R378 PolarHBondContact OG1-NH1 3.1Å; T362-L450 HydrophobicContact CG2-CD1 4.31Å
363	S	51.4	Low	47.8	Very low	91 Å²	91	106.1 Å²	106.1	64%	0.636	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-1.2	-161.2	55.7	0	0	0	0	117.5	K384	S363-K384 PolarHBondContact O-NZ 2.95Å
364	G	56	Low	49.6	Very low	0 Å²	0	101 Å²	101	0%	0	57%	0.573	C	S	.	*	T	Hydrogen-bonded Turn	trans	-106.5	-11.2	-175.7	0	0	0	0	0	116.7	T362	T362-G364 PolarHBondContact O-N 3.04Å
365	L	62.8	Low	51.7	Low	25 Å²	25	96.9 Å²	96.9	13%	0.131	55%	0.553	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.4	132.1	-167.2	-62	171.9	0	0	0	111.6	T362 R378 V379 M380 V558 T560	T362-L365 PolarHBondContact O-N 3.48Å; L365-R378 HydrophobicContact CB-CB 4.27Å; L365-R378 HydrophobicContact CD1-CB 4.38Å; L365-V379 CarbonylContact C-O 3.59Å; L365-V379 WeakPolarHBondContact CA-O 3.49Å; L365-M380 HydrophobicContact CD2-CG 3.72Å; L365-V558 HydrophobicContact CD1-CB 4.01Å; L365-V558 HydrophobicContact CD1-CG1 3.62Å; L365-V558 HydrophobicContact CD2-CB 3.67Å; L365-V558 HydrophobicContact CD2-CG1 4.04Å; L365-V558 HydrophobicContact CD2-CG2 3.86Å; L365-V558 HydrophobicContact CG-CG1 4.49Å; L365-T560 HydrophobicContact CD1-CG2 3.53Å
366	Q	62.1	Low	53.6	Low	98 Å²	98	92 Å²	92	46%	0.458	54%	0.539	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	145.9	174	-62.9	-174.7	-4.2	0	0	110.2	R378 V379 E381	Q366-R378 CarbonylContact O-C 3.59Å; Q366-R378 VanDerWaalsContact O-CA 3.3Å; Q366-R378 WeakPolarHBondContact O-CA 3.39Å; Q366-V379 PolarHBondContact N-O 3.12Å; Q366-V379 PolarHBondContact O-N 2.91Å; Q366-E381 VanDerWaalsContact NE2-CD 3.26Å; Q366-E381 PolarHBondContact NE2-OE2 3.31Å
367	A	63.4	Low	55.4	Low	80 Å²	80	85.9 Å²	85.9	66%	0.661	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.9	170.6	0	0	0	0	0	109.9	H377	A367-H377 CarbonylContact C-O 3.25Å; A367-H377 WeakPolarHBondContact CA-O 3.3Å
368	L	64.6	Low	57	Low	76 Å²	76	86.5 Å²	86.5	40%	0.398	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	125.5	175.4	-175.7	75.5	0	0	0	108.7	S376 H377 V379 M580	L368-S376 CarbonylContact O-C 3.56Å; L368-H377 PolarHBondContact N-O 2.75Å; L368-H377 WeakPolarHBondContact O-CA 3.3Å; L368-H377 WeakPolarHBondContact O-CB 3.23Å; L368-H377 PolarHBondContact O-N 3.13Å; L368-V379 HydrophobicContact CB-CB 4.4Å; L368-V379 HydrophobicContact CB-CG2 3.53Å; L368-V379 HydrophobicContact CD2-CG2 3.92Å; L368-V379 HydrophobicContact CG-CG2 4.35Å; L368-M580 HydrophobicContact CD2-CE 3.89Å
369	R	67.4	Low	58.9	Low	196 Å²	196	75.1 Å²	75.1	74%	0.74	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.2	172.8	-65.6	-176.8	-133.5	-110.6	1.3	110.2	P371 C375	R369-P371 WeakPolarHBondContact O-CD 3.46Å; R369-C375 CarbonylContact C-O 3.54Å; R369-C375 VanDerWaalsContact CA-O 3.31Å; R369-C375 WeakPolarHBondContact CA-O 3.28Å
370	C	67.6	Low	60.7	Low	6 Å²	6	67.2 Å²	67.2	4%	0.041	40%	0.4	C	S	.	.			trans	-67.4	122.7	170	179.6	0	0	0	0	109	E372 C373 G374 C375 C576	C370-E372 VanDerWaalsContact C-N 3.27Å; C370-E372 PolarHBondContact O-N 3.16Å; C370-C373 VanDerWaalsContact CB-SG 3.57Å; C370-C373 PolarHBondContact SG-SG 3.46Å; C370-G374 VanDerWaalsContact O-CA 3.23Å; C370-G374 WeakPolarHBondContact O-CA 3.49Å; C370-G374 PolarHBondContact O-N 2.9Å; C370-C375 HydrophobicContact CB-CB 4.37Å; C370-C375 PolarHBondContact N-O 3.44Å; C370-C576 VanDerWaalsContact SG-SG 3.68Å
371	P	67	Low	62.6	Low	115 Å²	115	66 Å²	66	75%	0.747	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.9	-178.7	24.3	-31.6	0	0	0	112.9	R369	R369-P371 WeakPolarHBondContact O-CD 3.46Å
372	E	68.2	Low	64.3	Low	145 Å²	145	65.7 Å²	65.7	68%	0.678	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-35.3	-178	-68.8	-176.1	-158.2	0	0	113.8	C370 C575	C370-E372 VanDerWaalsContact C-N 3.27Å; C370-E372 PolarHBondContact O-N 3.16Å; E372-C575 HydrophobicContact CB-CB 3.87Å; E372-C575 HydrophobicContact CG-CB 4.35Å; E372-C575 WeakPolarHBondContact OE2-CB 3.43Å
373	C	75	Confident	65.8	Low	44 Å²	44	66.9 Å²	66.9	30%	0.297	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-0.3	-174.6	72.2	0	0	0	0	114.6	C370 C375 C576	C370-C373 VanDerWaalsContact CB-SG 3.57Å; C370-C373 PolarHBondContact SG-SG 3.46Å; C373-C375 PolarHBondContact O-N 3.47Å; C373-C375 VanDerWaalsContact O-N 3.11Å; C373-C375 VanDerWaalsContact SG-CB 3.59Å; C373-C375 PolarHBondContact SG-SG 2.94Å; C373-C576 PolarHBondContact SG-SG 3.27Å
374	G	68.6	Low	67.2	Low	53 Å²	53	65.6 Å²	65.6	55%	0.546	36%	0.362	S	S	.	.			trans	69.8	1.2	-180	0	0	0	0	0	115.4	C370 S376	C370-G374 VanDerWaalsContact O-CA 3.23Å; C370-G374 WeakPolarHBondContact O-CA 3.49Å; C370-G374 PolarHBondContact O-N 2.9Å; G374-S376 PolarHBondContact O-N 3.13Å
375	C	69.6	Low	68.4	Low	40 Å²	40	65.8 Å²	65.8	27%	0.27	36%	0.363	S	S	.	.			trans	-62.3	133.1	179.8	-70.3	0	0	0	0	111.1	R369 C370 C373 H377 H573	R369-C375 CarbonylContact C-O 3.54Å; R369-C375 VanDerWaalsContact CA-O 3.31Å; R369-C375 WeakPolarHBondContact CA-O 3.28Å; C370-C375 HydrophobicContact CB-CB 4.37Å; C370-C375 PolarHBondContact N-O 3.44Å; C373-C375 PolarHBondContact O-N 3.47Å; C373-C375 VanDerWaalsContact O-N 3.11Å; C373-C375 VanDerWaalsContact SG-CB 3.59Å; C373-C375 PolarHBondContact SG-SG 2.94Å; C375-H377 WeakPolarHBondContact CB-NE2 3.4Å; C375-H377 PolarHBondContact O-CD2 3.27Å; C375-H573 VanDerWaalsContact SG-CD2 3.57Å
376	S	65	Low	69.6	Low	75 Å²	75	65.7 Å²	65.7	52%	0.524	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	128.8	172.6	-169.6	0	0	0	0	110.3	L368 G374	L368-S376 CarbonylContact O-C 3.56Å; G374-S376 PolarHBondContact O-N 3.13Å
377	H	65.6	Low	70.9	Confident	13 Å²	13	61.9 Å²	61.9	6%	0.06	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.2	-174.8	-64.5	-59.4	0	0	0	109	A367 L368 C375 W557 C576 M580	A367-H377 CarbonylContact C-O 3.25Å; A367-H377 WeakPolarHBondContact CA-O 3.3Å; L368-H377 PolarHBondContact N-O 2.75Å; L368-H377 WeakPolarHBondContact O-CA 3.3Å; L368-H377 WeakPolarHBondContact O-CB 3.23Å; L368-H377 PolarHBondContact O-N 3.13Å; C375-H377 WeakPolarHBondContact CB-NE2 3.4Å; C375-H377 PolarHBondContact O-CD2 3.27Å; H377-W557 AromaticContact ND1-NE1 3.8Å; H377-C576 VanDerWaalsContact CE1-SG 3.6Å; H377-C576 PolarHBondContact NE2-SG 2.83Å; H377-M580 HydrophobicContact CB-CE 3.97Å; H377-M580 HydrophobicContact CB-SD 4.14Å
378	R	64.2	Low	72.3	Confident	101 Å²	101	58 Å²	58	38%	0.381	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	132.6	173.2	-75.4	-176.6	-170.3	-154.2	12.1	110.1	T362 L365 Q366 W557 V558 T560	T362-R378 PolarHBondContact OG1-NH1 3.1Å; L365-R378 HydrophobicContact CB-CB 4.27Å; L365-R378 HydrophobicContact CD1-CB 4.38Å; Q366-R378 CarbonylContact O-C 3.59Å; Q366-R378 VanDerWaalsContact O-CA 3.3Å; Q366-R378 WeakPolarHBondContact O-CA 3.39Å; R378-W557 CarbonylContact O-C 3.59Å; R378-W557 VanDerWaalsContact O-CA 3.27Å; R378-W557 WeakPolarHBondContact O-CA 3.5Å; R378-V558 VanDerWaalsContact CB-O 3.29Å; R378-V558 WeakPolarHBondContact CB-O 3.5Å; R378-V558 PolarHBondContact O-N 3.09Å; R378-T560 VanDerWaalsContact CD-OG1 3.22Å; R378-T560 WeakPolarHBondContact CD-OG1 3.2Å; R378-T560 PolarHBondContact NE-OG1 3.17Å; R378-T560 VanDerWaalsContact NH1-CG2 3.27Å; R378-T560 PolarHBondContact NH1-OG1 2.76Å
379	V	64.5	Low	73.8	Confident	7 Å²	7	54.4 Å²	54.4	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.2	-166.2	165.6	0	0	0	0	110.2	L365 Q366 L368 P555 I556 M580	L365-V379 CarbonylContact C-O 3.59Å; L365-V379 WeakPolarHBondContact CA-O 3.49Å; Q366-V379 PolarHBondContact N-O 3.12Å; Q366-V379 PolarHBondContact O-N 2.91Å; L368-V379 HydrophobicContact CB-CB 4.4Å; L368-V379 HydrophobicContact CB-CG2 3.53Å; L368-V379 HydrophobicContact CD2-CG2 3.92Å; L368-V379 HydrophobicContact CG-CG2 4.35Å; V379-P555 HydrophobicContact CB-CB 4.21Å; V379-P555 HydrophobicContact CG1-CB 3.03Å; V379-P555 HydrophobicContact CG1-CG 4.37Å; V379-P555 HydrophobicContact CG2-CB 4.18Å; V379-I556 WeakPolarHBondContact CA-O 3.39Å; V379-M580 HydrophobicContact CG2-CE 3.61Å
380	M	67.3	Low	75.1	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.01	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	128.8	170.5	-63.9	-167.1	-59.8	0	0	111.6	L365 F385 L442 F452 L554 I556 V558 M583	L365-M380 HydrophobicContact CD2-CG 3.72Å; M380-F385 HydrophobicContact CB-CD2 3.9Å; M380-F385 HydrophobicContact CB-CE2 3.68Å; M380-F385 HydrophobicContact CB-CZ 4.28Å; M380-F385 HydrophobicContact CG-CD2 4.23Å; M380-F385 HydrophobicContact CG-CE1 4.35Å; M380-F385 HydrophobicContact CG-CE2 3.67Å; M380-F385 HydrophobicContact CG-CZ 3.74Å; M380-F385 HydrophobicContact SD-CD1 3.83Å; M380-F385 HydrophobicContact SD-CD2 4.14Å; M380-F385 HydrophobicContact SD-CE1 3.53Å; M380-F385 VanDerWaalsContact SD-CE1 3.53Å; M380-F385 HydrophobicContact SD-CE2 3.86Å; M380-F385 HydrophobicContact SD-CG 4.15Å; M380-F385 HydrophobicContact SD-CZ 3.55Å; M380-F385 VanDerWaalsContact SD-CZ 3.55Å; M380-L442 HydrophobicContact CE-CD1 4.01Å; M380-F452 HydrophobicContact CE-CD2 4.23Å; M380-F452 HydrophobicContact CE-CG 4.49Å; M380-F452 HydrophobicContact SD-CD2 3.32Å; M380-F452 WeakPolarHBondContact SD-CD2 3.3Å; M380-F452 HydrophobicContact SD-CE2 3.64Å; M380-F452 HydrophobicContact SD-CG 4.08Å; M380-L554 HydrophobicContact CB-CD2 4.03Å; M380-L554 HydrophobicContact CE-CD2 4.03Å; M380-I556 HydrophobicContact CE-CB 3.66Å; M380-I556 HydrophobicContact CE-CD1 4.3Å; M380-I556 HydrophobicContact CE-CG2 3.69Å; M380-I556 PolarHBondContact N-O 3.05Å; M380-V558 HydrophobicContact CE-CG2 4.33Å; M380-V558 HydrophobicContact CG-CG2 3.4Å; M380-V558 HydrophobicContact SD-CG2 3.63Å; M380-M583 HydrophobicContact CE-CE 3.16Å
381	E	66.9	Low	76.4	Confident	62 Å²	62	44.8 Å²	44.8	29%	0.29	26%	0.257	S	S	.	.			trans	-82.9	127.7	170.2	-165.9	-172.4	154.9	0	0	110	Q366 S383 K384 F385	Q366-E381 VanDerWaalsContact NE2-CD 3.26Å; Q366-E381 PolarHBondContact NE2-OE2 3.31Å; E381-S383 VanDerWaalsContact C-N 3.28Å; E381-S383 WeakPolarHBondContact CG-OG 3.39Å; E381-S383 PolarHBondContact O-N 3.43Å; E381-S383 PolarHBondContact OE1-OG 3.47Å; E381-K384 HydrophobicContact CB-CD 4.24Å; E381-K384 HydrophobicContact CB-CG 4.24Å; E381-K384 PolarHBondContact O-N 2.91Å; E381-K384 WeakPolarHBondContact OE2-CE 3.43Å; E381-K384 IonicContact OE2-NZ 2.69Å; E381-K384 PolarHBondContact OE2-NZ 3.02Å; E381-F385 WeakPolarHBondContact O-CD2 3.36Å
382	N	69.7	Low	77.6	Confident	104 Å²	104	40.1 Å²	40.1	56%	0.556	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-54.6	-41	-175.5	-166.9	16	0	0	0	114.3	K384 F385 L554	N382-K384 PolarHBondContact O-N 3.29Å; N382-F385 PolarHBondContact O-N 3.08Å; N382-L554 HydrophobicContact CB-CB 4.1Å; N382-L554 HydrophobicContact CB-CD1 3.51Å; N382-L554 HydrophobicContact CB-CG 4.37Å; N382-L554 WeakPolarHBondContact OD1-CD1 3.41Å
383	S	74.6	Confident	78.6	Confident	71 Å²	71	34.6 Å²	34.6	50%	0.497	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-56.9	-32.8	179.4	60.5	0	0	0	0	112.9	E381 R445	E381-S383 VanDerWaalsContact C-N 3.28Å; E381-S383 WeakPolarHBondContact CG-OG 3.39Å; E381-S383 PolarHBondContact O-N 3.43Å; E381-S383 PolarHBondContact OE1-OG 3.47Å; S383-R445 VanDerWaalsContact O-CD 3.28Å; S383-R445 WeakPolarHBondContact O-CD 3.37Å; S383-R445 PolarHBondContact O-NE 2.79Å; S383-R445 VanDerWaalsContact O-NE 3.1Å
384	K	80.1	Confident	79	Confident	65 Å²	65	35.3 Å²	35.3	28%	0.283	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-86.1	-11	-173	-64.4	-173.1	178.7	170	0	114	S363 E381 N382 R445	S363-K384 PolarHBondContact O-NZ 2.95Å; E381-K384 HydrophobicContact CB-CD 4.24Å; E381-K384 HydrophobicContact CB-CG 4.24Å; E381-K384 PolarHBondContact O-N 2.91Å; E381-K384 WeakPolarHBondContact OE2-CE 3.43Å; E381-K384 IonicContact OE2-NZ 2.69Å; E381-K384 PolarHBondContact OE2-NZ 3.02Å; N382-K384 PolarHBondContact O-N 3.29Å; K384-R445 WeakPolarHBondContact O-CB 3.41Å; K384-R445 VanDerWaalsContact O-CG 3.31Å; K384-R445 WeakPolarHBondContact O-CG 3.48Å; K384-R445 PolarHBondContact O-N 3.31Å
385	F	81.3	Confident	79.7	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	162.9	-177.7	-68.7	-97.6	0	0	0	111.1	M380 E381 N382 L442 Q443 S444 R445 F452	M380-F385 HydrophobicContact CB-CD2 3.9Å; M380-F385 HydrophobicContact CB-CE2 3.68Å; M380-F385 HydrophobicContact CB-CZ 4.28Å; M380-F385 HydrophobicContact CG-CD2 4.23Å; M380-F385 HydrophobicContact CG-CE1 4.35Å; M380-F385 HydrophobicContact CG-CE2 3.67Å; M380-F385 HydrophobicContact CG-CZ 3.74Å; M380-F385 HydrophobicContact SD-CD1 3.83Å; M380-F385 HydrophobicContact SD-CD2 4.14Å; M380-F385 HydrophobicContact SD-CE1 3.53Å; M380-F385 VanDerWaalsContact SD-CE1 3.53Å; M380-F385 HydrophobicContact SD-CE2 3.86Å; M380-F385 HydrophobicContact SD-CG 4.15Å; M380-F385 HydrophobicContact SD-CZ 3.55Å; M380-F385 VanDerWaalsContact SD-CZ 3.55Å; E381-F385 WeakPolarHBondContact O-CD2 3.36Å; N382-F385 PolarHBondContact O-N 3.08Å; F385-L442 HydrophobicContact CD1-CB 4.5Å; F385-Q443 CarbonylContact C-O 3.59Å; F385-Q443 VanDerWaalsContact CA-O 3.29Å; F385-Q443 WeakPolarHBondContact CA-O 3.38Å; F385-Q443 VanDerWaalsContact CD1-C 3.45Å; F385-S444 VanDerWaalsContact CD1-N 3.34Å; F385-R445 PolarHBondContact O-NE 3.46Å; F385-R445 PolarHBondContact O-NH2 3.5Å; F385-F452 HydrophobicContact CE1-CD2 4.08Å; F385-F452 AromaticContact CE1-CE2 3.96Å; F385-F452 HydrophobicContact CE1-CE2 3.96Å; F385-F452 HydrophobicContact CZ-CE2 4.38Å
386	H	88.5	Confident	80.1	Confident	23 Å²	23	32.1 Å²	32.1	11%	0.106	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	146	173	64.3	-62	0	0	0	109.8	T388 R427 L442 Q443	H386-T388 PolarHBondContact CD2-OG1 3.23Å; H386-R427 PolarHBondContact CD2-NE 3.26Å; H386-R427 PolarHBondContact NE2-NE 3.47Å; H386-R427 PolarHBondContact NE2-NH2 2.89Å; H386-L442 WeakPolarHBondContact O-CA 3.18Å; H386-Q443 WeakPolarHBondContact CE1-CB 3.23Å; H386-Q443 PolarHBondContact CE1-O 3.29Å; H386-Q443 PolarHBondContact N-O 3.43Å; H386-Q443 PolarHBondContact ND1-O 3.26Å; H386-Q443 PolarHBondContact NE2-OE1 3.38Å; H386-Q443 PolarHBondContact O-N 3.45Å
387	L	89.6	Confident	80.1	Confident	17 Å²	17	33.9 Å²	33.9	9%	0.089	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	125.2	-179.7	-174.9	69.9	0	0	0	109.6	W440 L442 V454 T545 I548 R549 L552	L387-W440 HydrophobicContact CD1-CB 3.88Å; L387-W440 HydrophobicContact CD1-CG 4.35Å; L387-L442 HydrophobicContact CB-CD2 4.23Å; L387-L442 HydrophobicContact CD1-CD2 4.12Å; L387-L442 HydrophobicContact CD1-CG 4.39Å; L387-V454 HydrophobicContact CD1-CG2 3.88Å; L387-T545 HydrophobicContact CD2-CG2 3.96Å; L387-I548 HydrophobicContact CD1-CG2 4Å; L387-I548 HydrophobicContact CD2-CB 4.11Å; L387-I548 HydrophobicContact CD2-CG2 3.69Å; L387-R549 HydrophobicContact CD2-CB 4.1Å; L387-L552 HydrophobicContact CD1-CD1 3.86Å; L387-L552 HydrophobicContact CD2-CD1 4.37Å
388	T	93.2	Very high	79.5	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	130.9	178.7	-60.4	0	0	0	0	109.6	H386 L390 R427 E429 W440 V441 Q443	H386-T388 PolarHBondContact CD2-OG1 3.23Å; T388-L390 HydrophobicContact CG2-CD2 4.25Å; T388-R427 HydrophobicContact CG2-CG 4.36Å; T388-R427 WeakPolarHBondContact OG1-CD 3.29Å; T388-R427 PolarHBondContact OG1-NE 2.88Å; T388-E429 HydrophobicContact CG2-CB 4.13Å; T388-E429 HydrophobicContact CG2-CG 3.75Å; T388-W440 WeakPolarHBondContact O-CA 3.32Å; T388-V441 PolarHBondContact N-O 3.39Å; T388-V441 PolarHBondContact O-N 2.88Å; T388-Q443 PolarHBondContact OG1-OE1 2.74Å
389	L	95.6	Very high	78.7	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	120.4	170.9	173.2	65.2	0	0	0	109	V391 L421 I426 R427 F428 E429 W440 L541	L389-V391 HydrophobicContact CD2-CG2 4.11Å; L389-V391 HydrophobicContact CG-CG2 4Å; L389-L421 HydrophobicContact CD2-CD2 4.19Å; L389-I426 HydrophobicContact CB-CG2 4.02Å; L389-I426 HydrophobicContact CD2-CD1 4.33Å; L389-I426 HydrophobicContact CD2-CG2 4.11Å; L389-R427 PolarHBondContact N-O 3.31Å; L389-F428 HydrophobicContact CB-CB 4.01Å; L389-F428 HydrophobicContact CD2-CB 4.25Å; L389-F428 HydrophobicContact CG-CB 4.28Å; L389-F428 CarbonylContact O-C 3.46Å; L389-F428 WeakPolarHBondContact O-CA 3.1Å; L389-F428 WeakPolarHBondContact O-CB 3.4Å; L389-E429 PolarHBondContact O-N 3.37Å; L389-W440 HydrophobicContact CD1-CD2 4.14Å; L389-W440 HydrophobicContact CD1-CH2 4.49Å; L389-W440 HydrophobicContact CD1-CZ2 3.89Å; L389-L541 HydrophobicContact CD2-CB 4.4Å; L389-L541 HydrophobicContact CD2-CD1 4.48Å
390	L	95.1	Very high	77.5	Confident	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	128.5	168.4	-57.8	-169.6	0	0	0	109.5	T388 E429 R431 L433 Y438 L439 V441 F586	T388-L390 HydrophobicContact CG2-CD2 4.25Å; L390-E429 WeakPolarHBondContact CA-O 3.45Å; L390-E429 HydrophobicContact CD2-CB 3.82Å; L390-R431 HydrophobicContact CD2-CG 4.31Å; L390-L433 HydrophobicContact CB-CD1 4.44Å; L390-L433 HydrophobicContact CB-CD2 4.34Å; L390-L433 HydrophobicContact CD1-CD2 4.35Å; L390-Y438 WeakPolarHBondContact O-CA 3.43Å; L390-L439 HydrophobicContact CB-CD1 3.99Å; L390-L439 HydrophobicContact CB-CG 4.18Å; L390-L439 HydrophobicContact CD1-CD1 3.72Å; L390-L439 HydrophobicContact CG-CD1 4Å; L390-L439 PolarHBondContact N-O 2.93Å; L390-L439 PolarHBondContact O-N 3.41Å; L390-L439 VanDerWaalsContact O-N 3.14Å; L390-V441 HydrophobicContact CD1-CB 4.38Å; L390-V441 HydrophobicContact CD1-CG1 3.52Å; L390-V441 HydrophobicContact CD1-CG2 3.91Å; L390-V441 HydrophobicContact CD2-CG2 3.78Å; L390-V441 HydrophobicContact CG-CB 4.49Å; L390-V441 HydrophobicContact CG-CG1 4.02Å; L390-V441 HydrophobicContact CG-CG2 3.7Å; L390-F586 HydrophobicContact CD1-CD2 3.74Å; L390-F586 HydrophobicContact CD1-CE1 4.43Å; L390-F586 HydrophobicContact CD1-CE2 3.39Å; L390-F586 HydrophobicContact CD1-CG 4.4Å; L390-F586 HydrophobicContact CD1-CZ 3.78Å
391	V	94.7	Very high	76	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	128	177.8	-176.9	0	0	0	0	108.1	L389 E395 T396 L421 F428 E429 E430 R431 Y438	L389-V391 HydrophobicContact CD2-CG2 4.11Å; L389-V391 HydrophobicContact CG-CG2 4Å; V391-E395 HydrophobicContact CG1-CB 4.02Å; V391-T396 HydrophobicContact CG1-CG2 3.74Å; V391-L421 HydrophobicContact CG1-CD1 4.32Å; V391-L421 HydrophobicContact CG2-CD1 3.97Å; V391-F428 HydrophobicContact CG2-CB 4.23Å; V391-F428 HydrophobicContact CG2-CD2 4.1Å; V391-E429 PolarHBondContact N-O 3.07Å; V391-E430 WeakPolarHBondContact O-CA 3.26Å; V391-R431 PolarHBondContact O-N 2.82Å; V391-Y438 HydrophobicContact CB-CD1 4.32Å; V391-Y438 HydrophobicContact CB-CE1 4.47Å; V391-Y438 HydrophobicContact CG1-CD1 4.01Å; V391-Y438 HydrophobicContact CG1-CE1 3.7Å; V391-Y438 HydrophobicContact CG2-CD1 4.06Å; V391-Y438 HydrophobicContact CG2-CE1 4.3Å
392	D	93.2	Very high	74.6	Confident	17 Å²	17	44.8 Å²	44.8	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	139	176.5	-174.4	58.4	0	0	0	111.2	S394 E395 R431 L433 D437	D392-S394 PolarHBondContact O-N 3.29Å; D392-S394 VanDerWaalsContact O-N 3.12Å; D392-S394 WeakPolarHBondContact OD2-CA 3.22Å; D392-S394 WeakPolarHBondContact OD2-CB 3.42Å; D392-S394 PolarHBondContact OD2-N 2.79Å; D392-S394 PolarHBondContact OD2-OG 2.93Å; D392-E395 WeakPolarHBondContact O-CB 3.33Å; D392-E395 PolarHBondContact O-N 3.46Å; D392-R431 CarbonylContact C-O 3.52Å; D392-R431 VanDerWaalsContact CA-O 3.29Å; D392-R431 WeakPolarHBondContact CA-O 3.33Å; D392-L433 HydrophobicContact CB-CB 4.08Å; D392-L433 HydrophobicContact CB-CD1 4.07Å; D392-L433 HydrophobicContact CB-CG 4.07Å; D392-L433 PolarHBondContact OD1-N 3.28Å; D392-D437 PolarHBondContact N-O 2.98Å
393	H	88.3	Confident	72.8	Confident	29 Å²	29	51.4 Å²	51.4	13%	0.134	30%	0.297	C	S	.	.	H	α-helix	trans	-57	-29.8	177.7	-78.8	129.1	0	0	0	113.3	E395 T396 K397 R431 D432	H393-E395 PolarHBondContact O-N 3.08Å; H393-T396 PolarHBondContact O-N 3.32Å; H393-K397 HydrophobicContact CB-CD 4.08Å; H393-K397 HydrophobicContact CB-CG 4.48Å; H393-K397 WeakPolarHBondContact CD2-CE 3.17Å; H393-K397 PolarHBondContact CD2-NZ 3Å; H393-K397 PolarHBondContact NE2-NZ 3.3Å; H393-K397 VanDerWaalsContact O-CB 3.3Å; H393-K397 WeakPolarHBondContact O-CB 3.48Å; H393-K397 PolarHBondContact O-N 2.99Å; H393-R431 PolarHBondContact N-O 2.79Å; H393-R431 PolarHBondContact ND1-O 3.13Å; H393-D432 IonicContact CE1-OD1 2.9Å; H393-D432 IonicContact CE1-OD2 3.73Å; H393-D432 IonicContact CG-OD1 3.65Å; H393-D432 PolarHBondContact ND1-N 3.33Å; H393-D432 IonicContact ND1-OD1 3.34Å; H393-D432 PolarHBondContact ND1-OD1 2.95Å; H393-D432 IonicContact ND1-OD2 3.16Å
394	S	83.3	Confident	70.8	Confident	59 Å²	59	59.5 Å²	59.5	41%	0.413	32%	0.319	S	S	.	.	H	α-helix	trans	-68.9	-13.6	178.7	77.7	0	0	0	0	113.6	D392 R414	D392-S394 PolarHBondContact O-N 3.29Å; D392-S394 VanDerWaalsContact O-N 3.12Å; D392-S394 WeakPolarHBondContact OD2-CA 3.22Å; D392-S394 WeakPolarHBondContact OD2-CB 3.42Å; D392-S394 PolarHBondContact OD2-N 2.79Å; D392-S394 PolarHBondContact OD2-OG 2.93Å; S394-R414 PolarHBondContact O-NE 2.93Å
395	E	82.8	Confident	69.2	Low	17 Å²	17	58.3 Å²	58.3	8%	0.079	33%	0.325	C	S	.	.	H	α-helix	trans	-86.3	-28	175.2	-68.2	-62.5	109.7	0	0	113.3	V391 D392 H393 R414 D437 Y438 R460	V391-E395 HydrophobicContact CG1-CB 4.02Å; D392-E395 WeakPolarHBondContact O-CB 3.33Å; D392-E395 PolarHBondContact O-N 3.46Å; H393-E395 PolarHBondContact O-N 3.08Å; E395-R414 WeakPolarHBondContact O-CB 3.31Å; E395-R414 WeakPolarHBondContact O-CG 3.5Å; E395-D437 HydrophobicContact CG-CB 3.92Å; E395-Y438 PolarHBondContact OE2-OH 3.28Å; E395-R460 IonicContact OE1-NH1 2.75Å; E395-R460 WeakPolarHBondContact OE2-CD 3.48Å; E395-R460 IonicContact OE2-CZ 3.11Å; E395-R460 IonicContact OE2-NE 3.42Å; E395-R460 IonicContact OE2-NH1 3.88Å; E395-R460 PolarHBondContact OE2-NH1 3.38Å
396	T	78.2	Confident	67.4	Low	8 Å²	8	63 Å²	63	5%	0.049	36%	0.356	C	S	.	.	H	α-helix	trans	-113.2	-31.6	-176.2	63.9	0	0	0	0	114.2	V391 H393 G398 R418 E430	V391-T396 HydrophobicContact CG1-CG2 3.74Å; H393-T396 PolarHBondContact O-N 3.32Å; T396-G398 PolarHBondContact O-N 2.89Å; T396-R418 HydrophobicContact CG2-CB 4.28Å; T396-E430 WeakPolarHBondContact CB-OE1 3.3Å; T396-E430 HydrophobicContact CG2-CG 4.41Å; T396-E430 WeakPolarHBondContact CG2-OE1 3.35Å; T396-E430 PolarHBondContact OG1-OE1 3.21Å
397	K	65.6	Low	65.5	Low	112 Å²	112	65.9 Å²	65.9	49%	0.487	38%	0.375	S	S	.	.	S	Bend	trans	-83.5	117.3	179.2	-66.9	-177.6	174.7	160.4	0	110.6	H393 G399 R414	H393-K397 HydrophobicContact CB-CD 4.08Å; H393-K397 HydrophobicContact CB-CG 4.48Å; H393-K397 WeakPolarHBondContact CD2-CE 3.17Å; H393-K397 PolarHBondContact CD2-NZ 3Å; H393-K397 PolarHBondContact NE2-NZ 3.3Å; H393-K397 VanDerWaalsContact O-CB 3.3Å; H393-K397 WeakPolarHBondContact O-CB 3.48Å; H393-K397 PolarHBondContact O-N 2.99Å; K397-G399 PolarHBondContact O-N 3.48Å; K397-R414 WeakPolarHBondContact O-CD 3.04Å
398	G	53.3	Low	63.7	Low	36 Å²	36	69.3 Å²	69.3	37%	0.371	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-63.7	124.4	164.5	0	0	0	0	0	109.5	T396	T396-G398 PolarHBondContact O-N 2.89Å
399	G	46.3	Very low	61.8	Low	47 Å²	47	75.4 Å²	75.4	49%	0.485	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-58.2	149.2	175.3	0	0	0	0	0	111.4	K397 N401	K397-G399 PolarHBondContact O-N 3.48Å; G399-N401 PolarHBondContact O-N 3.45Å
400	P	40.7	Very low	59.8	Low	126 Å²	126	80 Å²	80	82%	0.818	45%	0.446	S	S	*	.	P	Polyproline II helix	trans	-61.2	137.5	172.8	26	-31.1	0	0	0	109.1	G402	P400-G402 WeakPolarHBondContact O-CA 3.32Å; P400-G402 PolarHBondContact O-N 2.88Å
401	N	35.7	Very low	57.9	Low	144 Å²	144	84 Å²	84	77%	0.77	47%	0.465	S	S	*	.	S	Bend	trans	-29.9	97.7	179.2	-68.3	-22.7	0	0	0	113.1	G399	G399-N401 PolarHBondContact O-N 3.45Å
402	G	36.5	Very low	56.5	Low	62 Å²	62	87 Å²	87	64%	0.639	48%	0.483	S	S	*	.			trans	-150.2	82.1	-163.9	0	0	0	0	0	114.6	P400	P400-G402 WeakPolarHBondContact O-CA 3.32Å; P400-G402 PolarHBondContact O-N 2.88Å
403	R	32.8	Very low	55.4	Low	243 Å²	243	87 Å²	87	92%	0.917	48%	0.484	S	S	*	.	S	Bend	trans	51.3	112.3	151.4	-54	-173.9	-167.8	-170.5	3.6	119.4
404	Y	33.2	Very low	54.8	Low	240 Å²	240	89 Å²	89	94%	0.941	49%	0.491	S	S	*	.	S	Bend	trans	72.9	77.6	162.4	-93.7	-96.2	0	0	0	118.2
405	G	45.3	Very low	54.4	Low	40 Å²	40	89.1 Å²	89.1	41%	0.412	50%	0.495	S	S	.	.	S	Bend	trans	177.3	163.9	161.9	0	0	0	0	0	110.2	V407	G405-V407 WeakPolarHBondContact O-CG2 3.45Å; G405-V407 PolarHBondContact O-N 3.19Å
406	P	43.5	Very low	54.5	Low	103 Å²	103	94.4 Å²	94.4	67%	0.669	52%	0.518	S	S	*	.			trans	-64.4	97	175.8	-11.7	25.7	0	0	0	109.1	S408	P406-S408 PolarHBondContact O-N 2.82Å
407	V	49.2	Very low	54.9	Low	84 Å²	84	94.1 Å²	94.1	51%	0.509	52%	0.516	S	S	.	.	H	α-helix	trans	-61.6	-30.4	-168.7	179.9	0	0	0	0	111.8	G405 Q409 Q411	G405-V407 WeakPolarHBondContact O-CG2 3.45Å; G405-V407 PolarHBondContact O-N 3.19Å; V407-Q409 PolarHBondContact O-N 2.97Å; V407-Q411 WeakPolarHBondContact O-CB 3.44Å; V407-Q411 PolarHBondContact O-N 3.42Å
408	S	50.8	Low	55.9	Low	88 Å²	88	94.8 Å²	94.8	62%	0.615	52%	0.515	S	S	*	.	H	α-helix	trans	-65	-42	-175.1	59.7	0	0	0	0	113.5	P406 T412	P406-S408 PolarHBondContact O-N 2.82Å; S408-T412 VanDerWaalsContact O-CB 3.27Å; S408-T412 WeakPolarHBondContact O-CB 3.41Å; S408-T412 WeakPolarHBondContact O-CG2 3.49Å; S408-T412 PolarHBondContact O-N 3.18Å; S408-T412 VanDerWaalsContact O-N 3.12Å; S408-T412 PolarHBondContact O-OG1 3.35Å
409	Q	54.1	Low	57.4	Low	128 Å²	128	95.8 Å²	95.8	60%	0.598	52%	0.517	S	S	*	.	H	α-helix	trans	-79.6	-33.3	-169.6	-157.5	174.1	13.2	0	0	113.6	V407 T412 S413	V407-Q409 PolarHBondContact O-N 2.97Å; Q409-T412 VanDerWaalsContact CA-OG1 3.3Å; Q409-T412 WeakPolarHBondContact CA-OG1 3.45Å; Q409-T412 PolarHBondContact O-OG1 3.22Å; Q409-S413 PolarHBondContact O-N 3Å; Q409-S413 VanDerWaalsContact O-N 3.09Å
410	R	53.2	Low	59.5	Low	96 Å²	96	94.6 Å²	94.6	36%	0.362	50%	0.502	S	S	.	.	H	α-helix	trans	-79.9	-32.2	179.1	-81.3	-179.6	172.4	172.9	-2.9	113.1	S413 R414 D465	R410-S413 PolarHBondContact O-OG 3.34Å; R410-S413 VanDerWaalsContact O-OG 3.12Å; R410-R414 WeakPolarHBondContact O-CG 3.33Å; R410-R414 PolarHBondContact O-NH1 3.08Å; R410-R414 VanDerWaalsContact O-NH1 3.16Å; R410-D465 IonicContact CZ-OD1 3.89Å; R410-D465 IonicContact NH2-OD1 2.88Å; R410-D465 PolarHBondContact NH2-OD1 3.04Å
411	Q	56.1	Low	61.8	Low	85 Å²	85	88.6 Å²	88.6	40%	0.397	46%	0.463	S	S	.	.	H	α-helix	trans	-75.5	-37.7	175.2	-163.5	166.3	9.9	0	0	110.5	V407 A415	V407-Q411 WeakPolarHBondContact O-CB 3.44Å; V407-Q411 PolarHBondContact O-N 3.42Å; Q411-A415 PolarHBondContact O-N 3.49Å; Q411-A415 VanDerWaalsContact O-N 3.17Å
412	T	64.9	Low	64.4	Low	63 Å²	63	85.1 Å²	85.1	39%	0.387	45%	0.454	S	S	.	.	H	α-helix	trans	-66.4	-38.4	173.6	52.9	0	0	0	0	112.7	S408 Q409 R414 K416	S408-T412 VanDerWaalsContact O-CB 3.27Å; S408-T412 WeakPolarHBondContact O-CB 3.41Å; S408-T412 WeakPolarHBondContact O-CG2 3.49Å; S408-T412 PolarHBondContact O-N 3.18Å; S408-T412 VanDerWaalsContact O-N 3.12Å; S408-T412 PolarHBondContact O-OG1 3.35Å; Q409-T412 VanDerWaalsContact CA-OG1 3.3Å; Q409-T412 WeakPolarHBondContact CA-OG1 3.45Å; Q409-T412 PolarHBondContact O-OG1 3.22Å; T412-R414 VanDerWaalsContact C-N 3.34Å; T412-R414 PolarHBondContact O-N 3.14Å; T412-K416 VanDerWaalsContact O-CB 3.24Å; T412-K416 WeakPolarHBondContact O-CB 2.97Å; T412-K416 WeakPolarHBondContact O-CD 3.46Å; T412-K416 WeakPolarHBondContact O-CG 3.2Å; T412-K416 PolarHBondContact O-N 3.18Å
413	S	68.8	Low	66.9	Low	17 Å²	17	89.7 Å²	89.7	12%	0.119	46%	0.459	C	S	.	.	H	α-helix	trans	-63.3	-38.5	178.9	68.6	0	0	0	0	112.9	Q409 R410 M417	Q409-S413 PolarHBondContact O-N 3Å; Q409-S413 VanDerWaalsContact O-N 3.09Å; R410-S413 PolarHBondContact O-OG 3.34Å; R410-S413 VanDerWaalsContact O-OG 3.12Å; S413-M417 PolarHBondContact O-N 3.46Å
414	R	75.9	Confident	69.4	Low	72 Å²	72	78.6 Å²	78.6	27%	0.272	42%	0.419	S	S	.	.	H	α-helix	trans	-72.4	-43.3	179.5	-66.2	-173.9	175.6	88.1	-3.3	112.6	S394 E395 K397 R410 T412 K416 M417 R418	S394-R414 PolarHBondContact O-NE 2.93Å; E395-R414 WeakPolarHBondContact O-CB 3.31Å; E395-R414 WeakPolarHBondContact O-CG 3.5Å; K397-R414 WeakPolarHBondContact O-CD 3.04Å; R410-R414 WeakPolarHBondContact O-CG 3.33Å; R410-R414 PolarHBondContact O-NH1 3.08Å; R410-R414 VanDerWaalsContact O-NH1 3.16Å; T412-R414 VanDerWaalsContact C-N 3.34Å; T412-R414 PolarHBondContact O-N 3.14Å; R414-K416 VanDerWaalsContact C-N 3.29Å; R414-K416 PolarHBondContact O-N 3.14Å; R414-M417 WeakPolarHBondContact O-CB 3.32Å; R414-M417 PolarHBondContact O-N 3.1Å; R414-R418 PolarHBondContact O-N 3.38Å
415	A	76.1	Confident	71.9	Confident	60 Å²	60	74.6 Å²	74.6	50%	0.496	41%	0.414	S	S	.	.	H	α-helix	trans	-61.3	-40.3	173.1	0	0	0	0	0	111.4	Q411 R418 S419	Q411-A415 PolarHBondContact O-N 3.49Å; Q411-A415 VanDerWaalsContact O-N 3.17Å; A415-R418 PolarHBondContact O-N 2.89Å; A415-S419 WeakPolarHBondContact O-CB 3.4Å; A415-S419 PolarHBondContact O-N 3.16Å
416	K	83.4	Confident	73.9	Confident	129 Å²	129	73.4 Å²	73.4	56%	0.561	40%	0.398	S	S	*	.	H	α-helix	trans	-62.3	-43.3	173	-75.4	172.7	-178.5	-171.9	0	112.1	T412 R414 S419 A420	T412-K416 VanDerWaalsContact O-CB 3.24Å; T412-K416 WeakPolarHBondContact O-CB 2.97Å; T412-K416 WeakPolarHBondContact O-CD 3.46Å; T412-K416 WeakPolarHBondContact O-CG 3.2Å; T412-K416 PolarHBondContact O-N 3.18Å; R414-K416 VanDerWaalsContact C-N 3.29Å; R414-K416 PolarHBondContact O-N 3.14Å; K416-S419 PolarHBondContact O-N 3.24Å; K416-A420 WeakPolarHBondContact O-CB 3.27Å; K416-A420 PolarHBondContact O-N 3.4Å
417	M	86.7	Confident	76.2	Confident	2 Å²	2	74.9 Å²	74.9	1%	0.01	39%	0.391	C	S	.	.	H	α-helix	trans	-58.5	-49.8	176.5	-176.4	65.5	71.8	0	0	111.1	S413 R414 S419 A420 L421 Y438 V534 T537 V538	S413-M417 PolarHBondContact O-N 3.46Å; R414-M417 WeakPolarHBondContact O-CB 3.32Å; R414-M417 PolarHBondContact O-N 3.1Å; M417-S419 PolarHBondContact O-N 2.72Å; M417-A420 PolarHBondContact O-N 2.98Å; M417-L421 HydrophobicContact CG-CD1 3.94Å; M417-L421 WeakPolarHBondContact O-CB 3.46Å; M417-L421 WeakPolarHBondContact O-CG 3.4Å; M417-L421 PolarHBondContact O-N 3.32Å; M417-L421 HydrophobicContact SD-CD1 4.23Å; M417-L421 HydrophobicContact SD-CG 4.37Å; M417-Y438 VanDerWaalsContact CE-OH 3.3Å; M417-Y438 WeakPolarHBondContact CE-OH 2.91Å; M417-V534 HydrophobicContact CB-CG1 4.1Å; M417-V534 HydrophobicContact CE-CB 4.43Å; M417-V534 HydrophobicContact CE-CG1 3.73Å; M417-V534 HydrophobicContact CE-CG2 4.31Å; M417-V534 HydrophobicContact SD-CG1 3.98Å; M417-T537 HydrophobicContact CE-CG2 3.93Å; M417-V538 HydrophobicContact SD-CG2 3.64Å
418	R	86.8	Confident	78.3	Confident	125 Å²	125	73.4 Å²	73.4	47%	0.472	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-45	177.5	-173.5	-175.7	175.3	115.9	-1.7	112.1	T396 R414 A415 L421 A422 E430	T396-R418 HydrophobicContact CG2-CB 4.28Å; R414-R418 PolarHBondContact O-N 3.38Å; A415-R418 PolarHBondContact O-N 2.89Å; R418-L421 PolarHBondContact O-N 2.92Å; R418-A422 WeakPolarHBondContact O-CB 3.39Å; R418-A422 PolarHBondContact O-N 2.76Å; R418-E430 IonicContact CZ-OE1 3.47Å; R418-E430 IonicContact CZ-OE2 3.79Å; R418-E430 IonicContact NE-OE1 3.82Å; R418-E430 IonicContact NH1-OE1 2.72Å; R418-E430 PolarHBondContact NH1-OE1 2.98Å; R418-E430 IonicContact NH1-OE2 2.69Å; R418-E430 PolarHBondContact NH1-OE2 3.01Å
419	S	85.9	Confident	80.4	Confident	57 Å²	57	72 Å²	72	40%	0.399	36%	0.361	S	S	.	.	H	α-helix	trans	-63.5	-42.4	178.1	-172.9	0	0	0	0	111.9	A415 K416 M417 A422 Q423	A415-S419 WeakPolarHBondContact O-CB 3.4Å; A415-S419 PolarHBondContact O-N 3.16Å; K416-S419 PolarHBondContact O-N 3.24Å; M417-S419 PolarHBondContact O-N 2.72Å; S419-A422 PolarHBondContact O-N 3.06Å; S419-Q423 VanDerWaalsContact O-CG 3.26Å; S419-Q423 WeakPolarHBondContact O-CG 3.35Å; S419-Q423 PolarHBondContact O-N 3.18Å; S419-Q423 PolarHBondContact OG-NE2 2.99Å
420	A	89.4	Confident	82.2	Confident	22 Å²	22	67.7 Å²	67.7	18%	0.182	34%	0.341	C	S	.	.	H	α-helix	trans	-68.5	-40.9	179.3	0	0	0	0	0	111.4	K416 M417 A422 Q423 A424 V538	K416-A420 WeakPolarHBondContact O-CB 3.27Å; K416-A420 PolarHBondContact O-N 3.4Å; M417-A420 PolarHBondContact O-N 2.98Å; A420-A422 VanDerWaalsContact C-N 3.32Å; A420-A422 PolarHBondContact O-N 2.88Å; A420-Q423 PolarHBondContact O-N 3.09Å; A420-A424 VanDerWaalsContact O-CB 3.27Å; A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 2.76Å; A420-V538 HydrophobicContact CB-CB 4.28Å; A420-V538 HydrophobicContact CB-CG1 4.35Å; A420-V538 HydrophobicContact CB-CG2 3.75Å
421	L	90.5	Very high	84.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-64.4	-34	173.4	-74.9	168.7	0	0	0	113	L389 V391 M417 R418 A424 I426 F428 V538 L541	L389-L421 HydrophobicContact CD2-CD2 4.19Å; V391-L421 HydrophobicContact CG1-CD1 4.32Å; V391-L421 HydrophobicContact CG2-CD1 3.97Å; M417-L421 HydrophobicContact CG-CD1 3.94Å; M417-L421 WeakPolarHBondContact O-CB 3.46Å; M417-L421 WeakPolarHBondContact O-CG 3.4Å; M417-L421 PolarHBondContact O-N 3.32Å; M417-L421 HydrophobicContact SD-CD1 4.23Å; M417-L421 HydrophobicContact SD-CG 4.37Å; R418-L421 PolarHBondContact O-N 2.92Å; L421-A424 WeakPolarHBondContact O-CB 3.47Å; L421-A424 PolarHBondContact O-N 3.37Å; L421-A424 VanDerWaalsContact O-O 3.07Å; L421-I426 HydrophobicContact CD2-CD1 4.41Å; L421-F428 HydrophobicContact CB-CD1 4.16Å; L421-F428 HydrophobicContact CB-CE1 3.89Å; L421-F428 HydrophobicContact CB-CE2 4.47Å; L421-F428 HydrophobicContact CB-CZ 4.06Å; L421-F428 WeakPolarHBondContact O-CE1 3.48Å; L421-V538 HydrophobicContact CD2-CG1 4.24Å; L421-V538 HydrophobicContact CD2-CG2 4.11Å; L421-V538 HydrophobicContact CG-CG2 4.05Å; L421-L541 HydrophobicContact CD2-CD1 4.14Å
422	A	88.7	Confident	85.7	Confident	71 Å²	71	66.7 Å²	66.7	59%	0.587	34%	0.342	S	S	*	.	H	α-helix	trans	-75.2	-29.6	176.3	0	0	0	0	0	113.2	R418 S419 A420 A424	R418-A422 WeakPolarHBondContact O-CB 3.39Å; R418-A422 PolarHBondContact O-N 2.76Å; S419-A422 PolarHBondContact O-N 3.06Å; A420-A422 VanDerWaalsContact C-N 3.32Å; A420-A422 PolarHBondContact O-N 2.88Å; A422-A424 VanDerWaalsContact C-N 3.34Å
423	Q	89.6	Confident	87	Confident	159 Å²	159	64.4 Å²	64.4	74%	0.743	33%	0.327	S	S	*	.	H	α-helix	trans	-78.1	-24.8	172	-71.6	168.8	11.8	0	0	111.8	S419 A420	S419-Q423 VanDerWaalsContact O-CG 3.26Å; S419-Q423 WeakPolarHBondContact O-CG 3.35Å; S419-Q423 PolarHBondContact O-N 3.18Å; S419-Q423 PolarHBondContact OG-NE2 2.99Å; A420-Q423 PolarHBondContact O-N 3.09Å
424	A	85.6	Confident	87.9	Confident	9 Å²	9	66.4 Å²	66.4	7%	0.074	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	133.6	172	0	0	0	0	0	110.2	A420 L421 A422 I426 V538 Q542	A420-A424 VanDerWaalsContact O-CB 3.27Å; A420-A424 WeakPolarHBondContact O-CB 3.45Å; A420-A424 PolarHBondContact O-N 2.76Å; L421-A424 WeakPolarHBondContact O-CB 3.47Å; L421-A424 PolarHBondContact O-N 3.37Å; L421-A424 VanDerWaalsContact O-O 3.07Å; A422-A424 VanDerWaalsContact C-N 3.34Å; A424-I426 HydrophobicContact CB-CD1 4.26Å; A424-I426 HydrophobicContact CB-CG1 4.05Å; A424-I426 PolarHBondContact O-N 3.39Å; A424-V538 HydrophobicContact CB-CG1 3.68Å; A424-Q542 HydrophobicContact CB-CG 3.77Å
425	D	84.9	Confident	88.6	Confident	156 Å²	156	63.7 Å²	63.7	83%	0.834	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	50.2	174.9	-169.2	32	0	0	0	112.3
426	I	88.7	Confident	89.3	Confident	16 Å²	16	61.1 Å²	61.1	8%	0.082	31%	0.307	C	S	.	.			trans	-112.8	131.1	177.1	-49.6	178	0	0	0	108.8	L389 L421 A424 F428 L541 Q542 T545	L389-I426 HydrophobicContact CB-CG2 4.02Å; L389-I426 HydrophobicContact CD2-CD1 4.33Å; L389-I426 HydrophobicContact CD2-CG2 4.11Å; L421-I426 HydrophobicContact CD2-CD1 4.41Å; A424-I426 HydrophobicContact CB-CD1 4.26Å; A424-I426 HydrophobicContact CB-CG1 4.05Å; A424-I426 PolarHBondContact O-N 3.39Å; I426-F428 PolarHBondContact O-N 2.97Å; I426-L541 HydrophobicContact CD1-CB 4.29Å; I426-Q542 HydrophobicContact CD1-CB 4.03Å; I426-Q542 HydrophobicContact CD1-CG 3.4Å; I426-Q542 VanDerWaalsContact CD1-CG 3.4Å; I426-Q542 HydrophobicContact CG1-CB 4.25Å; I426-Q542 HydrophobicContact CG1-CG 3.53Å; I426-T545 HydrophobicContact CG2-CG2 4.14Å
427	R	91.5	Very high	89.8	Confident	134 Å²	134	55.9 Å²	55.9	51%	0.506	29%	0.285	S	S	.	.			trans	-72.7	111.2	162.4	-171.7	-175.6	-177.7	120.9	-4	110.3	H386 T388 L389	H386-R427 PolarHBondContact CD2-NE 3.26Å; H386-R427 PolarHBondContact NE2-NE 3.47Å; H386-R427 PolarHBondContact NE2-NH2 2.89Å; T388-R427 HydrophobicContact CG2-CG 4.36Å; T388-R427 WeakPolarHBondContact OG1-CD 3.29Å; T388-R427 PolarHBondContact OG1-NE 2.88Å; L389-R427 PolarHBondContact N-O 3.31Å
428	F	93.9	Very high	90.2	Very high	52 Å²	52	55.8 Å²	55.8	23%	0.228	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	155.1	176.2	76.8	-84.5	0	0	0	112.7	L389 V391 L421 I426 E430	L389-F428 HydrophobicContact CB-CB 4.01Å; L389-F428 HydrophobicContact CD2-CB 4.25Å; L389-F428 HydrophobicContact CG-CB 4.28Å; L389-F428 CarbonylContact O-C 3.46Å; L389-F428 WeakPolarHBondContact O-CA 3.1Å; L389-F428 WeakPolarHBondContact O-CB 3.4Å; V391-F428 HydrophobicContact CG2-CB 4.23Å; V391-F428 HydrophobicContact CG2-CD2 4.1Å; L421-F428 HydrophobicContact CB-CD1 4.16Å; L421-F428 HydrophobicContact CB-CE1 3.89Å; L421-F428 HydrophobicContact CB-CE2 4.47Å; L421-F428 HydrophobicContact CB-CZ 4.06Å; L421-F428 WeakPolarHBondContact O-CE1 3.48Å; I426-F428 PolarHBondContact O-N 2.97Å; F428-E430 HydrophobicContact CD2-CG 4.44Å; F428-E430 HydrophobicContact CE2-CG 4.13Å
429	E	93.6	Very high	90.6	Very high	58 Å²	58	49.9 Å²	49.9	27%	0.271	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	140.9	171.4	-72.8	-179.6	-156.4	0	0	109.9	T388 L389 L390 V391 R431 Q443	T388-E429 HydrophobicContact CG2-CB 4.13Å; T388-E429 HydrophobicContact CG2-CG 3.75Å; L389-E429 PolarHBondContact O-N 3.37Å; L390-E429 WeakPolarHBondContact CA-O 3.45Å; L390-E429 HydrophobicContact CD2-CB 3.82Å; V391-E429 PolarHBondContact N-O 3.07Å; E429-R431 IonicContact OE2-CZ 3.15Å; E429-R431 IonicContact OE2-NE 2.69Å; E429-R431 PolarHBondContact OE2-NE 3.33Å; E429-R431 IonicContact OE2-NH2 3.09Å; E429-R431 PolarHBondContact OE2-NH2 3.04Å; E429-Q443 PolarHBondContact OE1-NE2 3.47Å; E429-Q443 PolarHBondContact OE1-OE1 3.37Å; E429-Q443 PolarHBondContact OE2-NE2 3.35Å
430	E	92.5	Very high	90.9	Very high	39 Å²	39	47.2 Å²	47.2	18%	0.182	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.5	173.8	-59	-179.4	158.5	0	0	109.7	V391 T396 R418 F428	V391-E430 WeakPolarHBondContact O-CA 3.26Å; T396-E430 WeakPolarHBondContact CB-OE1 3.3Å; T396-E430 HydrophobicContact CG2-CG 4.41Å; T396-E430 WeakPolarHBondContact CG2-OE1 3.35Å; T396-E430 PolarHBondContact OG1-OE1 3.21Å; R418-E430 IonicContact CZ-OE1 3.47Å; R418-E430 IonicContact CZ-OE2 3.79Å; R418-E430 IonicContact NE-OE1 3.82Å; R418-E430 IonicContact NH1-OE1 2.72Å; R418-E430 PolarHBondContact NH1-OE1 2.98Å; R418-E430 IonicContact NH1-OE2 2.69Å; R418-E430 PolarHBondContact NH1-OE2 3.01Å; F428-E430 HydrophobicContact CD2-CG 4.44Å; F428-E430 HydrophobicContact CE2-CG 4.13Å
431	R	92	Very high	91	Very high	49 Å²	49	46.1 Å²	46.1	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	162.1	-177.8	-64.9	-169.1	-178.5	-165	-7.1	111.4	L390 V391 D392 H393 E429 L433 E451	L390-R431 HydrophobicContact CD2-CG 4.31Å; V391-R431 PolarHBondContact O-N 2.82Å; D392-R431 CarbonylContact C-O 3.52Å; D392-R431 VanDerWaalsContact CA-O 3.29Å; D392-R431 WeakPolarHBondContact CA-O 3.33Å; H393-R431 PolarHBondContact N-O 2.79Å; H393-R431 PolarHBondContact ND1-O 3.13Å; E429-R431 IonicContact OE2-CZ 3.15Å; E429-R431 IonicContact OE2-NE 2.69Å; E429-R431 PolarHBondContact OE2-NE 3.33Å; E429-R431 IonicContact OE2-NH2 3.09Å; E429-R431 PolarHBondContact OE2-NH2 3.04Å; R431-L433 HydrophobicContact CB-CD2 4.35Å; R431-L433 PolarHBondContact O-N 3.1Å; R431-E451 IonicContact CZ-OE1 2.72Å; R431-E451 IonicContact CZ-OE2 3.91Å; R431-E451 VanDerWaalsContact NH1-CD 3.3Å; R431-E451 IonicContact NH1-OE1 3.72Å; R431-E451 PolarHBondContact NH1-OE1 3.47Å; R431-E451 VanDerWaalsContact NH1-OE1 3.15Å; R431-E451 IonicContact NH1-OE2 3.68Å; R431-E451 PolarHBondContact NH1-OE2 3Å; R431-E451 IonicContact NH2-OE1 3.31Å; R431-E451 PolarHBondContact NH2-OE1 3.32Å; R431-E451 IonicContact NH2-OE2 2.83Å
432	D	90.3	Very high	90.9	Very high	110 Å²	110	46.4 Å²	46.4	59%	0.588	24%	0.236	S	C	*	.			trans	-82.6	106.9	170.8	-65.4	-48.3	0	0	0	109.5	H393 N590	H393-D432 IonicContact CE1-OD1 2.9Å; H393-D432 IonicContact CE1-OD2 3.73Å; H393-D432 IonicContact CG-OD1 3.65Å; H393-D432 PolarHBondContact ND1-N 3.33Å; H393-D432 IonicContact ND1-OD1 3.34Å; H393-D432 PolarHBondContact ND1-OD1 2.95Å; H393-D432 IonicContact ND1-OD2 3.16Å; D432-N590 PolarHBondContact O-ND2 3.4Å
433	L	91.5	Very high	90.8	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.084	21%	0.21	C	C	.	.			trans	-96.6	122	177.5	-56.3	-174.1	0	0	0	109.4	L390 D392 R431 L435 G436 L439 F586	L390-L433 HydrophobicContact CB-CD1 4.44Å; L390-L433 HydrophobicContact CB-CD2 4.34Å; L390-L433 HydrophobicContact CD1-CD2 4.35Å; D392-L433 HydrophobicContact CB-CB 4.08Å; D392-L433 HydrophobicContact CB-CD1 4.07Å; D392-L433 HydrophobicContact CB-CG 4.07Å; D392-L433 PolarHBondContact OD1-N 3.28Å; R431-L433 HydrophobicContact CB-CD2 4.35Å; R431-L433 PolarHBondContact O-N 3.1Å; L433-L435 PolarHBondContact O-N 3.2Å; L433-G436 WeakPolarHBondContact CB-O 3.31Å; L433-L439 HydrophobicContact CD1-CD2 4.04Å; L433-L439 HydrophobicContact CD1-CG 4.12Å; L433-L439 HydrophobicContact CD2-CD2 4.08Å; L433-F586 HydrophobicContact CD2-CE2 3.75Å; L433-F586 HydrophobicContact CD2-CZ 3.87Å
434	N	89.6	Confident	90.7	Very high	58 Å²	58	36.1 Å²	36.1	31%	0.31	18%	0.176	S	C	.	.	S	Bend	trans	-72.9	-21.8	175.7	-71.2	-55.2	0	0	0	112.2	R483 N590 G593 R594	N434-R483 PolarHBondContact O-NH2 3.21Å; N434-N590 WeakPolarHBondContact CB-O 3.38Å; N434-N590 WeakPolarHBondContact CB-OD1 3.37Å; N434-N590 PolarHBondContact N-OD1 3.08Å; N434-N590 PolarHBondContact ND2-O 3.37Å; N434-N590 PolarHBondContact ND2-OD1 3.34Å; N434-N590 VanDerWaalsContact ND2-OD1 3.12Å; N434-G593 VanDerWaalsContact CB-C 3.49Å; N434-R594 WeakPolarHBondContact ND2-CG 3.34Å
435	L	89.7	Confident	90.7	Very high	16 Å²	16	43.5 Å²	43.5	8%	0.084	20%	0.202	C	C	.	.	S	Bend	trans	-142.8	137.2	178.7	-69.1	178.4	0	0	0	110.8	L433 I457 R483 C487 G593	L433-L435 PolarHBondContact O-N 3.2Å; L435-I457 HydrophobicContact CB-CD1 4.46Å; L435-R483 HydrophobicContact CD2-CB 3.58Å; L435-R483 HydrophobicContact CD2-CG 4.47Å; L435-C487 HydrophobicContact CD1-CB 3.75Å; L435-G593 VanDerWaalsContact CD1-CA 3.42Å
436	G	91.5	Very high	90.6	Very high	6 Å²	6	39.8 Å²	39.8	6%	0.062	19%	0.189	C	C	.	.			trans	74.7	157.7	-177.5	0	0	0	0	0	112.8	L433 E459	L433-G436 WeakPolarHBondContact CB-O 3.31Å; G436-E459 WeakPolarHBondContact CA-OE2 3.3Å
437	D	93.3	Very high	90.2	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.102	20%	0.197	C	C	.	.	S	Bend	trans	-98.7	-29	177.8	-57.3	-51.8	0	0	0	111.1	D392 E395 I458 E459 R460	D392-D437 PolarHBondContact N-O 2.98Å; E395-D437 HydrophobicContact CG-CB 3.92Å; D437-I458 PolarHBondContact N-O 2.94Å; D437-E459 WeakPolarHBondContact OD2-CA 3.25Å; D437-R460 HydrophobicContact CB-CB 4.31Å; D437-R460 PolarHBondContact OD2-N 3.42Å
438	Y	95.7	Very high	89.7	Confident	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	141.2	172.7	-44.8	-82.1	0	0	0	111.5	L390 V391 E395 M417 I458 R460 L541	L390-Y438 WeakPolarHBondContact O-CA 3.43Å; V391-Y438 HydrophobicContact CB-CD1 4.32Å; V391-Y438 HydrophobicContact CB-CE1 4.47Å; V391-Y438 HydrophobicContact CG1-CD1 4.01Å; V391-Y438 HydrophobicContact CG1-CE1 3.7Å; V391-Y438 HydrophobicContact CG2-CD1 4.06Å; V391-Y438 HydrophobicContact CG2-CE1 4.3Å; E395-Y438 PolarHBondContact OE2-OH 3.28Å; M417-Y438 VanDerWaalsContact CE-OH 3.3Å; M417-Y438 WeakPolarHBondContact CE-OH 2.91Å; Y438-I458 HydrophobicContact CD2-CB 4.02Å; Y438-I458 HydrophobicContact CD2-CG2 3.96Å; Y438-I458 PolarHBondContact N-O 2.85Å; Y438-I458 VanDerWaalsContact N-O 3.1Å; Y438-I458 PolarHBondContact O-N 3.18Å; Y438-R460 HydrophobicContact CE2-CB 3.84Å; Y438-R460 WeakPolarHBondContact OH-CD 3.48Å; Y438-L541 HydrophobicContact CD1-CD1 3.96Å; Y438-L541 HydrophobicContact CD1-CD2 4.38Å; Y438-L541 HydrophobicContact CD2-CD1 4.5Å; Y438-L541 HydrophobicContact CD2-CD2 4.17Å; Y438-L541 HydrophobicContact CE1-CD1 3.76Å; Y438-L541 HydrophobicContact CE2-CD1 4.31Å; Y438-L541 HydrophobicContact CG-CD1 4.33Å; Y438-L541 HydrophobicContact CG-CD2 4.02Å
439	L	94.3	Very high	89	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	163.7	169.9	67.1	83.1	0	0	0	110	L390 L433 V441 V453 I457 F586 F589	L390-L439 HydrophobicContact CB-CD1 3.99Å; L390-L439 HydrophobicContact CB-CG 4.18Å; L390-L439 HydrophobicContact CD1-CD1 3.72Å; L390-L439 HydrophobicContact CG-CD1 4Å; L390-L439 PolarHBondContact N-O 2.93Å; L390-L439 PolarHBondContact O-N 3.41Å; L390-L439 VanDerWaalsContact O-N 3.14Å; L433-L439 HydrophobicContact CD1-CD2 4.04Å; L433-L439 HydrophobicContact CD1-CG 4.12Å; L433-L439 HydrophobicContact CD2-CD2 4.08Å; L439-V441 HydrophobicContact CD1-CG1 3.63Å; L439-V453 HydrophobicContact CD1-CG1 4.35Å; L439-I457 HydrophobicContact CB-CG1 4.42Å; L439-F586 HydrophobicContact CD1-CD2 4.47Å; L439-F589 HydrophobicContact CD2-CD1 4.35Å; L439-F589 HydrophobicContact CD2-CE1 3.75Å
440	W	92.9	Very high	88.3	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	142.6	177.1	-69.5	-97.8	0	0	0	110.9	L387 T388 L389 V454 V456 I458 L541 M544 T545 I548	L387-W440 HydrophobicContact CD1-CB 3.88Å; L387-W440 HydrophobicContact CD1-CG 4.35Å; T388-W440 WeakPolarHBondContact O-CA 3.32Å; L389-W440 HydrophobicContact CD1-CD2 4.14Å; L389-W440 HydrophobicContact CD1-CH2 4.49Å; L389-W440 HydrophobicContact CD1-CZ2 3.89Å; W440-V454 HydrophobicContact CB-CB 3.93Å; W440-V454 HydrophobicContact CB-CG2 3.91Å; W440-V454 WeakPolarHBondContact O-CB 3.41Å; W440-V454 PolarHBondContact O-N 3.35Å; W440-V456 HydrophobicContact CE3-CB 4.14Å; W440-V456 HydrophobicContact CE3-CG1 4.16Å; W440-V456 HydrophobicContact CZ3-CB 4.24Å; W440-V456 HydrophobicContact CZ3-CG1 3.74Å; W440-I458 HydrophobicContact CH2-CD1 3.53Å; W440-I458 HydrophobicContact CH2-CG1 4.13Å; W440-I458 HydrophobicContact CZ3-CD1 3.86Å; W440-I458 HydrophobicContact CZ3-CG1 3.92Å; W440-L541 HydrophobicContact CH2-CD2 4.21Å; W440-L541 HydrophobicContact CZ2-CD2 4.35Å; W440-M544 HydrophobicContact CH2-CB 3.87Å; W440-M544 HydrophobicContact CH2-CE 4.46Å; W440-M544 HydrophobicContact CZ2-CB 3.76Å; W440-T545 PolarHBondContact NE1-OG1 2.94Å; W440-I548 HydrophobicContact CD2-CD1 3.43Å; W440-I548 VanDerWaalsContact CD2-CD1 3.43Å; W440-I548 HydrophobicContact CE3-CD1 3.62Å; W440-I548 HydrophobicContact CG-CD1 3.86Å; W440-I548 HydrophobicContact CH2-CD1 4.24Å; W440-I548 HydrophobicContact CZ2-CD1 4.09Å; W440-I548 HydrophobicContact CZ3-CD1 4.03Å
441	V	91	Very high	87.9	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	144.8	172.3	-66.7	0	0	0	0	111.1	T388 L390 L439 Q443 F452 V453 F586	T388-V441 PolarHBondContact N-O 3.39Å; T388-V441 PolarHBondContact O-N 2.88Å; L390-V441 HydrophobicContact CD1-CB 4.38Å; L390-V441 HydrophobicContact CD1-CG1 3.52Å; L390-V441 HydrophobicContact CD1-CG2 3.91Å; L390-V441 HydrophobicContact CD2-CG2 3.78Å; L390-V441 HydrophobicContact CG-CB 4.49Å; L390-V441 HydrophobicContact CG-CG1 4.02Å; L390-V441 HydrophobicContact CG-CG2 3.7Å; L439-V441 HydrophobicContact CD1-CG1 3.63Å; V441-Q443 HydrophobicContact CB-CG 4.45Å; V441-Q443 HydrophobicContact CG2-CG 3.73Å; V441-F452 CarbonylContact C-O 3.48Å; V441-F452 WeakPolarHBondContact CA-O 2.95Å; V441-V453 HydrophobicContact CG1-CG2 4.28Å; V441-F586 HydrophobicContact CG1-CB 4.25Å; V441-F586 HydrophobicContact CG1-CD2 3.98Å; V441-F586 HydrophobicContact CG1-CG 4.31Å
442	L	87.4	Confident	87.5	Confident	6 Å²	6	39.5 Å²	39.5	3%	0.031	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	110.2	164.3	-75.7	170.1	0	0	0	108.2	M380 F385 H386 L387 E451 F452 V454 L552 I556 M583	M380-L442 HydrophobicContact CE-CD1 4.01Å; F385-L442 HydrophobicContact CD1-CB 4.5Å; H386-L442 WeakPolarHBondContact O-CA 3.18Å; L387-L442 HydrophobicContact CB-CD2 4.23Å; L387-L442 HydrophobicContact CD1-CD2 4.12Å; L387-L442 HydrophobicContact CD1-CG 4.39Å; L442-E451 WeakPolarHBondContact O-CA 3.44Å; L442-F452 PolarHBondContact N-O 2.88Å; L442-F452 PolarHBondContact O-N 3.44Å; L442-V454 HydrophobicContact CD1-CG2 4.47Å; L442-V454 HydrophobicContact CG-CG2 4.21Å; L442-L552 HydrophobicContact CD1-CD1 4.17Å; L442-L552 HydrophobicContact CD1-CD2 4.36Å; L442-L552 HydrophobicContact CD2-CD1 4.15Å; L442-L552 HydrophobicContact CG-CD1 4.4Å; L442-I556 HydrophobicContact CD1-CD1 4.04Å; L442-M583 HydrophobicContact CB-CE 4.31Å; L442-M583 HydrophobicContact CD1-CE 3.37Å; L442-M583 HydrophobicContact CD1-SD 4.1Å; L442-M583 HydrophobicContact CG-CE 4.34Å
443	Q	88.3	Confident	87.3	Confident	9 Å²	9	34.4 Å²	34.4	4%	0.042	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	134.7	-179.4	-67.9	171.1	-47.8	0	0	109.7	F385 H386 T388 E429 V441 E451	F385-Q443 CarbonylContact C-O 3.59Å; F385-Q443 VanDerWaalsContact CA-O 3.29Å; F385-Q443 WeakPolarHBondContact CA-O 3.38Å; F385-Q443 VanDerWaalsContact CD1-C 3.45Å; H386-Q443 WeakPolarHBondContact CE1-CB 3.23Å; H386-Q443 PolarHBondContact CE1-O 3.29Å; H386-Q443 PolarHBondContact N-O 3.43Å; H386-Q443 PolarHBondContact ND1-O 3.26Å; H386-Q443 PolarHBondContact NE2-OE1 3.38Å; H386-Q443 PolarHBondContact O-N 3.45Å; T388-Q443 PolarHBondContact OG1-OE1 2.74Å; E429-Q443 PolarHBondContact OE1-NE2 3.47Å; E429-Q443 PolarHBondContact OE1-OE1 3.37Å; E429-Q443 PolarHBondContact OE2-NE2 3.35Å; V441-Q443 HydrophobicContact CB-CG 4.45Å; V441-Q443 HydrophobicContact CG2-CG 3.73Å; Q443-E451 HydrophobicContact CG-CB 4.37Å; Q443-E451 HydrophobicContact CG-CG 3.96Å; Q443-E451 PolarHBondContact NE2-OE1 3.26Å
444	S	85.8	Confident	87	Confident	5 Å²	5	34.1 Å²	34.1	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	141.2	171.9	173.6	0	0	0	0	110.2	F385 S446 D447 L450	F385-S444 VanDerWaalsContact CD1-N 3.34Å; S444-S446 VanDerWaalsContact C-N 3.32Å; S444-S446 PolarHBondContact OG-N 3.42Å; S444-S446 PolarHBondContact OG-OG 3.26Å; S444-D447 WeakPolarHBondContact CB-O 3.38Å; S444-D447 PolarHBondContact OG-N 3.18Å; S444-L450 PolarHBondContact N-O 3.38Å
445	R	86.2	Confident	86.8	Confident	164 Å²	164	32.9 Å²	32.9	62%	0.619	17%	0.168	S	C	*	.	S	Bend	trans	-73.7	-25.3	176	-67.7	174.7	-176.1	-86	0.9	112.3	S383 K384 F385	S383-R445 VanDerWaalsContact O-CD 3.28Å; S383-R445 WeakPolarHBondContact O-CD 3.37Å; S383-R445 PolarHBondContact O-NE 2.79Å; S383-R445 VanDerWaalsContact O-NE 3.1Å; K384-R445 WeakPolarHBondContact O-CB 3.41Å; K384-R445 VanDerWaalsContact O-CG 3.31Å; K384-R445 WeakPolarHBondContact O-CG 3.48Å; K384-R445 PolarHBondContact O-N 3.31Å; F385-R445 PolarHBondContact O-NE 3.46Å; F385-R445 PolarHBondContact O-NH2 3.5Å
446	S	82.8	Confident	86.8	Confident	78 Å²	78	32.9 Å²	32.9	55%	0.545	17%	0.168	S	C	.	.	S	Bend	trans	-97.4	-43.8	-178.8	55	0	0	0	0	112.7	S444	S444-S446 VanDerWaalsContact C-N 3.32Å; S444-S446 PolarHBondContact OG-N 3.42Å; S444-S446 PolarHBondContact OG-OG 3.26Å
447	D	81.6	Confident	86.8	Confident	50 Å²	50	32.6 Å²	32.6	27%	0.267	17%	0.165	S	C	.	.			trans	-117.3	105.1	-172.2	-176.6	-4.3	0	0	0	111.2	S444 S449 L450	S444-D447 WeakPolarHBondContact CB-O 3.38Å; S444-D447 PolarHBondContact OG-N 3.18Å; D447-S449 PolarHBondContact O-N 3.41Å; D447-S449 VanDerWaalsContact O-N 3.11Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.35Å; D447-S449 PolarHBondContact OD1-N 3.22Å; D447-S449 PolarHBondContact OD1-OG 3.33Å; D447-S449 PolarHBondContact OD2-OG 2.83Å; D447-S449 VanDerWaalsContact OD2-OG 3.07Å; D447-L450 HydrophobicContact CB-CB 4.5Å; D447-L450 HydrophobicContact CB-CD1 4.02Å; D447-L450 HydrophobicContact CB-CG 4.13Å; D447-L450 PolarHBondContact O-N 3.12Å; D447-L450 VanDerWaalsContact O-N 3.07Å; D447-L450 WeakPolarHBondContact OD2-CG 3.03Å
448	K	80	Confident	87	Confident	187 Å²	187	31.7 Å²	31.7	81%	0.813	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-16.2	179.6	-65.2	-176	179.8	179.6	0	113.8	L450	K448-L450 VanDerWaalsContact C-N 3.29Å
449	S	78.3	Confident	86.9	Confident	78 Å²	78	32.3 Å²	32.3	55%	0.545	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.8	176.6	78.1	0	0	0	0	113	D447 E451	D447-S449 PolarHBondContact O-N 3.41Å; D447-S449 VanDerWaalsContact O-N 3.11Å; D447-S449 VanDerWaalsContact OD1-CB 3.26Å; D447-S449 WeakPolarHBondContact OD1-CB 3.35Å; D447-S449 PolarHBondContact OD1-N 3.22Å; D447-S449 PolarHBondContact OD1-OG 3.33Å; D447-S449 PolarHBondContact OD2-OG 2.83Å; D447-S449 VanDerWaalsContact OD2-OG 3.07Å; S449-E451 PolarHBondContact O-N 3.48Å
450	L	78.8	Confident	86.9	Confident	3 Å²	3	33.4 Å²	33.4	2%	0.016	17%	0.168	C	C	.	.			trans	-94.3	92.2	-178.8	-64.4	-180	0	0	0	110.5	T362 S444 D447 K448 F452	T362-L450 HydrophobicContact CG2-CD1 4.31Å; S444-L450 PolarHBondContact N-O 3.38Å; D447-L450 HydrophobicContact CB-CB 4.5Å; D447-L450 HydrophobicContact CB-CD1 4.02Å; D447-L450 HydrophobicContact CB-CG 4.13Å; D447-L450 PolarHBondContact O-N 3.12Å; D447-L450 VanDerWaalsContact O-N 3.07Å; D447-L450 WeakPolarHBondContact OD2-CG 3.03Å; K448-L450 VanDerWaalsContact C-N 3.29Å; L450-F452 HydrophobicContact CB-CE2 4.19Å; L450-F452 HydrophobicContact CD2-CZ 4.36Å
451	E	85.9	Confident	86.7	Confident	24 Å²	24	34.1 Å²	34.1	11%	0.112	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	124.9	177.7	-49.5	-172.9	131	0	0	110.5	R431 L442 Q443 S449 R585 F586	R431-E451 IonicContact CZ-OE1 2.72Å; R431-E451 IonicContact CZ-OE2 3.91Å; R431-E451 VanDerWaalsContact NH1-CD 3.3Å; R431-E451 IonicContact NH1-OE1 3.72Å; R431-E451 PolarHBondContact NH1-OE1 3.47Å; R431-E451 VanDerWaalsContact NH1-OE1 3.15Å; R431-E451 IonicContact NH1-OE2 3.68Å; R431-E451 PolarHBondContact NH1-OE2 3Å; R431-E451 IonicContact NH2-OE1 3.31Å; R431-E451 PolarHBondContact NH2-OE1 3.32Å; R431-E451 IonicContact NH2-OE2 2.83Å; L442-E451 WeakPolarHBondContact O-CA 3.44Å; Q443-E451 HydrophobicContact CG-CB 4.37Å; Q443-E451 HydrophobicContact CG-CG 3.96Å; Q443-E451 PolarHBondContact NE2-OE1 3.26Å; S449-E451 PolarHBondContact O-N 3.48Å; E451-R585 CarbonylContact O-C 3.5Å; E451-R585 VanDerWaalsContact O-CA 3.3Å; E451-R585 WeakPolarHBondContact O-CA 3.23Å; E451-F586 HydrophobicContact CB-CB 3.93Å; E451-F586 PolarHBondContact O-N 2.65Å; E451-F586 WeakPolarHBondContact OE2-CD1 3.32Å
452	F	82.4	Confident	86.4	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.2	-176.8	-60.7	-79.7	0	0	0	111.2	M380 F385 V441 L442 L450 V454 V558 F568 M583 K584 R585	M380-F452 HydrophobicContact CE-CD2 4.23Å; M380-F452 HydrophobicContact CE-CG 4.49Å; M380-F452 HydrophobicContact SD-CD2 3.32Å; M380-F452 WeakPolarHBondContact SD-CD2 3.3Å; M380-F452 HydrophobicContact SD-CE2 3.64Å; M380-F452 HydrophobicContact SD-CG 4.08Å; F385-F452 HydrophobicContact CE1-CD2 4.08Å; F385-F452 AromaticContact CE1-CE2 3.96Å; F385-F452 HydrophobicContact CE1-CE2 3.96Å; F385-F452 HydrophobicContact CZ-CE2 4.38Å; V441-F452 CarbonylContact C-O 3.48Å; V441-F452 WeakPolarHBondContact CA-O 2.95Å; L442-F452 PolarHBondContact N-O 2.88Å; L442-F452 PolarHBondContact O-N 3.44Å; L450-F452 HydrophobicContact CB-CE2 4.19Å; L450-F452 HydrophobicContact CD2-CZ 4.36Å; F452-V454 PolarHBondContact O-N 3.42Å; F452-V558 HydrophobicContact CD1-CG2 4.02Å; F452-V558 HydrophobicContact CD2-CG2 4.15Å; F452-V558 HydrophobicContact CE1-CB 4.1Å; F452-V558 HydrophobicContact CE1-CG1 3.5Å; F452-V558 HydrophobicContact CE1-CG2 3.55Å; F452-V558 HydrophobicContact CE2-CG1 4.21Å; F452-V558 HydrophobicContact CE2-CG2 3.69Å; F452-V558 HydrophobicContact CG-CG2 4.32Å; F452-V558 HydrophobicContact CZ-CB 3.96Å; F452-V558 HydrophobicContact CZ-CG1 3.24Å; F452-V558 HydrophobicContact CZ-CG2 3.4Å; F452-F568 HydrophobicContact CD1-CZ 4.29Å; F452-F568 HydrophobicContact CE1-CE1 4.39Å; F452-F568 HydrophobicContact CE1-CZ 4.06Å; F452-M583 HydrophobicContact CB-CB 4.06Å; F452-M583 HydrophobicContact CB-CE 3.54Å; F452-M583 HydrophobicContact CB-SD 4.46Å; F452-M583 HydrophobicContact CG-CE 4.37Å; F452-K584 CarbonylContact C-O 3.59Å; F452-K584 WeakPolarHBondContact CA-O 3.39Å; F452-R585 HydrophobicContact CD1-CG 4.31Å; F452-R585 HydrophobicContact CE1-CG 3.81Å
453	V	86	Confident	86.3	Confident	3 Å²	3	36.1 Å²	36.1	2%	0.018	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.6	-179.9	-178.9	0	0	0	0	109.3	L439 V441 M583 K584 F586 F589	L439-V453 HydrophobicContact CD1-CG1 4.35Å; V441-V453 HydrophobicContact CG1-CG2 4.28Å; V453-M583 WeakPolarHBondContact O-CB 3.11Å; V453-K584 PolarHBondContact N-O 2.86Å; V453-F586 HydrophobicContact CG2-CB 3.98Å; V453-F586 HydrophobicContact CG2-CD2 4.02Å; V453-F589 HydrophobicContact CG2-CB 3.9Å; V453-F589 HydrophobicContact CG2-CD1 4.08Å; V453-F589 HydrophobicContact CG2-CG 4.02Å
454	V	85.7	Confident	85.9	Confident	9 Å²	9	38 Å²	38	6%	0.055	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144	169.6	179.4	0	0	0	0	108.6	L387 W440 L442 F452 V456 I548 L552 M583	L387-V454 HydrophobicContact CD1-CG2 3.88Å; W440-V454 HydrophobicContact CB-CB 3.93Å; W440-V454 HydrophobicContact CB-CG2 3.91Å; W440-V454 WeakPolarHBondContact O-CB 3.41Å; W440-V454 PolarHBondContact O-N 3.35Å; L442-V454 HydrophobicContact CD1-CG2 4.47Å; L442-V454 HydrophobicContact CG-CG2 4.21Å; F452-V454 PolarHBondContact O-N 3.42Å; V454-V456 HydrophobicContact CG1-CG2 4.35Å; V454-V456 PolarHBondContact O-N 3.48Å; V454-I548 HydrophobicContact CG1-CG2 4.05Å; V454-L552 HydrophobicContact CG2-CD1 4.45Å; V454-M583 HydrophobicContact CG2-SD 4.39Å
455	D	84.8	Confident	85.8	Confident	32 Å²	32	39.7 Å²	39.7	17%	0.171	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	37.3	-175.5	-101.6	1.5	0	0	0	114.9	V489 A490 R491 H581	D455-V489 WeakPolarHBondContact O-CG1 3.36Å; D455-A490 HydrophobicContact CB-CB 4.06Å; D455-R491 WeakPolarHBondContact O-CB 3.31Å; D455-R491 PolarHBondContact O-N 3.42Å; D455-H581 IonicContact OD2-CE1 3.97Å; D455-H581 PolarHBondContact OD2-CE1 3.46Å; D455-H581 IonicContact OD2-NE2 2.8Å; D455-H581 PolarHBondContact OD2-NE2 3.14Å
456	V	89.3	Confident	85.7	Confident	16 Å²	16	32 Å²	32	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.6	174.5	-172.5	0	0	0	0	109.8	W440 V454 R491 I493 M544 I548	W440-V456 HydrophobicContact CE3-CB 4.14Å; W440-V456 HydrophobicContact CE3-CG1 4.16Å; W440-V456 HydrophobicContact CZ3-CB 4.24Å; W440-V456 HydrophobicContact CZ3-CG1 3.74Å; V454-V456 HydrophobicContact CG1-CG2 4.35Å; V454-V456 PolarHBondContact O-N 3.48Å; V456-R491 WeakPolarHBondContact CA-O 3.5Å; V456-R491 HydrophobicContact CG2-CB 4.3Å; V456-I493 HydrophobicContact CG1-CD1 3.78Å; V456-I493 HydrophobicContact CG1-CG1 4.39Å; V456-M544 HydrophobicContact CG1-CE 4.02Å; V456-I548 HydrophobicContact CB-CD1 4.39Å; V456-I548 HydrophobicContact CG2-CD1 4.3Å
457	I	93.3	Very high	85.7	Confident	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	141	174.5	-170	167.1	0	0	0	110.1	L435 L439 L484 V489 R491 I492 I493 F589	L435-I457 HydrophobicContact CB-CD1 4.46Å; L439-I457 HydrophobicContact CB-CG1 4.42Å; I457-L484 HydrophobicContact CD1-CD2 4Å; I457-V489 HydrophobicContact CB-CG1 4.08Å; I457-V489 HydrophobicContact CG2-CB 4.05Å; I457-V489 HydrophobicContact CG2-CG1 3.76Å; I457-V489 HydrophobicContact CG2-CG2 4.46Å; I457-R491 PolarHBondContact N-O 3.35Å; I457-I492 HydrophobicContact CG2-CB 4.19Å; I457-I492 HydrophobicContact CG2-CG1 3.72Å; I457-I492 HydrophobicContact CG2-CG2 4.26Å; I457-I493 PolarHBondContact O-N 3.24Å; I457-F589 HydrophobicContact CD1-CZ 3.94Å
458	I	95.8	Very high	85.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.9	177.6	-50.2	-167.9	0	0	0	109.7	D437 Y438 W440 I493 L495 Y540 L541	D437-I458 PolarHBondContact N-O 2.94Å; Y438-I458 HydrophobicContact CD2-CB 4.02Å; Y438-I458 HydrophobicContact CD2-CG2 3.96Å; Y438-I458 PolarHBondContact N-O 2.85Å; Y438-I458 VanDerWaalsContact N-O 3.1Å; Y438-I458 PolarHBondContact O-N 3.18Å; W440-I458 HydrophobicContact CH2-CD1 3.53Å; W440-I458 HydrophobicContact CH2-CG1 4.13Å; W440-I458 HydrophobicContact CZ3-CD1 3.86Å; W440-I458 HydrophobicContact CZ3-CG1 3.92Å; I458-I493 CarbonylContact C-O 3.55Å; I458-I493 VanDerWaalsContact CA-O 3.3Å; I458-I493 WeakPolarHBondContact CA-O 3.45Å; I458-I493 HydrophobicContact CD1-CD1 4.44Å; I458-I493 HydrophobicContact CG1-CB 4.08Å; I458-I493 HydrophobicContact CG1-CD1 4.36Å; I458-L495 HydrophobicContact CG2-CB 3.74Å; I458-L495 HydrophobicContact CG2-CD1 4.34Å; I458-Y540 HydrophobicContact CD1-CE1 3.88Å; I458-L541 HydrophobicContact CD1-CD2 3.81Å
459	E	94.6	Very high	85.6	Confident	13 Å²	13	22.7 Å²	22.7	6%	0.061	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.8	165.3	-175.5	90.8	171.2	0	0	108.1	G436 D437 Q480 L484 I493 Y494 L495	G436-E459 WeakPolarHBondContact CA-OE2 3.3Å; D437-E459 WeakPolarHBondContact OD2-CA 3.25Å; E459-Q480 PolarHBondContact OE1-NE2 3.47Å; E459-L484 HydrophobicContact CB-CD1 3.74Å; E459-L484 HydrophobicContact CG-CD1 3.99Å; E459-I493 PolarHBondContact N-O 3.34Å; E459-Y494 HydrophobicContact CB-CD2 4.14Å; E459-Y494 HydrophobicContact CB-CE2 4.26Å; E459-Y494 HydrophobicContact CG-CD2 4.31Å; E459-Y494 HydrophobicContact CG-CE2 3.91Å; E459-Y494 CarbonylContact O-C 3.54Å; E459-Y494 WeakPolarHBondContact O-CA 3.43Å; E459-L495 PolarHBondContact O-N 2.86Å
460	R	93.1	Very high	85.6	Confident	24 Å²	24	20.9 Å²	20.9	9%	0.091	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	132.3	176.3	172.9	170.4	170	-83.1	1.4	110.1	E395 D437 Y438 L495 E497	E395-R460 IonicContact OE1-NH1 2.75Å; E395-R460 WeakPolarHBondContact OE2-CD 3.48Å; E395-R460 IonicContact OE2-CZ 3.11Å; E395-R460 IonicContact OE2-NE 3.42Å; E395-R460 IonicContact OE2-NH1 3.88Å; E395-R460 PolarHBondContact OE2-NH1 3.38Å; D437-R460 HydrophobicContact CB-CB 4.31Å; D437-R460 PolarHBondContact OD2-N 3.42Å; Y438-R460 HydrophobicContact CE2-CB 3.84Å; Y438-R460 WeakPolarHBondContact OH-CD 3.48Å; R460-L495 CarbonylContact C-O 3.48Å; R460-L495 WeakPolarHBondContact CA-O 3.35Å; R460-L495 HydrophobicContact CB-CD2 4.43Å; R460-L495 HydrophobicContact CG-CD2 4.02Å; R460-E497 IonicContact CZ-OE1 3.94Å; R460-E497 IonicContact CZ-OE2 2.71Å; R460-E497 IonicContact NE-OE1 3.78Å; R460-E497 IonicContact NE-OE2 3.38Å; R460-E497 PolarHBondContact NE-OE2 3.06Å; R460-E497 IonicContact NH2-OE1 3.58Å; R460-E497 PolarHBondContact NH2-OE1 2.9Å; R460-E497 IonicContact NH2-OE2 3.98Å; R460-E497 PolarHBondContact NH2-OE2 2.83Å; R460-E497 VanDerWaalsContact NH2-OE2 3.07Å
461	K	89.2	Confident	85.3	Confident	16 Å²	16	25.6 Å²	25.6	7%	0.07	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	115.8	176.2	-160.4	73.9	171.7	-177.4	0	109.8	L466 Y494 L495 V496 E497	K461-L466 HydrophobicContact CG-CB 3.82Å; K461-L466 HydrophobicContact CG-CD1 4.25Å; K461-Y494 HydrophobicContact CB-CE1 3.68Å; K461-Y494 WeakPolarHBondContact CB-OH 3.38Å; K461-Y494 HydrophobicContact CG-CE1 4.29Å; K461-Y494 WeakPolarHBondContact CG-OH 3.47Å; K461-L495 PolarHBondContact N-O 3.12Å; K461-V496 WeakPolarHBondContact O-CA 3.23Å; K461-E497 PolarHBondContact O-N 3.3Å
462	R	86.1	Confident	84.5	Confident	38 Å²	38	26.8 Å²	26.8	14%	0.143	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	146.6	169.1	-61.9	170	46.5	151	-2.8	110.2	D464 D465 L466	R462-D464 VanDerWaalsContact C-N 3.31Å; R462-D464 WeakPolarHBondContact CB-OD1 3.47Å; R462-D464 IonicContact CZ-OD1 3.81Å; R462-D464 IonicContact CZ-OD2 3.5Å; R462-D464 IonicContact NE-OD1 2.65Å; R462-D464 PolarHBondContact NE-OD1 2.91Å; R462-D464 IonicContact NE-OD2 3.65Å; R462-D464 PolarHBondContact NE-OD2 3.47Å; R462-D464 IonicContact NH2-OD1 3.46Å; R462-D464 PolarHBondContact NH2-OD1 2.86Å; R462-D464 IonicContact NH2-OD2 3.73Å; R462-D464 PolarHBondContact NH2-OD2 3.15Å; R462-D464 PolarHBondContact O-N 2.93Å; R462-D465 PolarHBondContact O-N 3.33Å; R462-L466 WeakPolarHBondContact O-CB 3.47Å; R462-L466 PolarHBondContact O-N 3.46Å
463	I	84.7	Confident	83.6	Confident	9 Å²	9	35.8 Å²	35.8	5%	0.046	19%	0.185	C	C	.	.	H	α-helix	trans	-65.8	-31.8	-174.6	-163.3	143.5	0	0	0	114.4	L466 A467 V496 E497 G498 I502 M505 I513	I463-L466 PolarHBondContact O-N 3.38Å; I463-A467 WeakPolarHBondContact O-CB 3.08Å; I463-A467 PolarHBondContact O-N 3.27Å; I463-V496 HydrophobicContact CD1-CG1 4.44Å; I463-E497 WeakPolarHBondContact CB-O 3.43Å; I463-E497 PolarHBondContact N-O 3.43Å; I463-G498 WeakPolarHBondContact CG2-O 3.37Å; I463-I502 HydrophobicContact CD1-CD1 3.39Å; I463-I502 HydrophobicContact CD1-CG1 3.16Å; I463-I502 HydrophobicContact CG1-CG1 4.4Å; I463-M505 HydrophobicContact CG1-CE 4.15Å; I463-M505 HydrophobicContact CG2-CE 3.72Å; I463-I513 HydrophobicContact CD1-CD1 3.92Å; I463-I513 HydrophobicContact CD1-CG2 4.05Å; I463-I513 HydrophobicContact CG1-CD1 3.48Å; I463-I513 VanDerWaalsContact CG1-CD1 3.48Å; I463-I513 HydrophobicContact CG1-CG1 4.26Å; I463-I513 HydrophobicContact CG1-CG2 4.36Å
464	D	80.1	Confident	82.5	Confident	48 Å²	48	39.8 Å²	39.8	26%	0.257	20%	0.203	S	C	.	.	H	α-helix	trans	-65.3	-45.8	174.2	54.4	-36.6	0	0	0	111.1	R462 A467 Q468	R462-D464 VanDerWaalsContact C-N 3.31Å; R462-D464 WeakPolarHBondContact CB-OD1 3.47Å; R462-D464 IonicContact CZ-OD1 3.81Å; R462-D464 IonicContact CZ-OD2 3.5Å; R462-D464 IonicContact NE-OD1 2.65Å; R462-D464 PolarHBondContact NE-OD1 2.91Å; R462-D464 IonicContact NE-OD2 3.65Å; R462-D464 PolarHBondContact NE-OD2 3.47Å; R462-D464 IonicContact NH2-OD1 3.46Å; R462-D464 PolarHBondContact NH2-OD1 2.86Å; R462-D464 IonicContact NH2-OD2 3.73Å; R462-D464 PolarHBondContact NH2-OD2 3.15Å; R462-D464 PolarHBondContact O-N 2.93Å; D464-A467 PolarHBondContact O-N 2.65Å; D464-Q468 VanDerWaalsContact O-CG 3.31Å; D464-Q468 WeakPolarHBondContact O-CG 3.49Å; D464-Q468 PolarHBondContact O-N 3.47Å; D464-Q468 VanDerWaalsContact O-N 3.08Å
465	D	83.5	Confident	81.8	Confident	42 Å²	42	43.1 Å²	43.1	23%	0.225	23%	0.231	C	C	.	.	H	α-helix	trans	-68.3	-35.6	176.5	-62.7	-36.1	0	0	0	111.4	R410 R462 C469	R410-D465 IonicContact CZ-OD1 3.89Å; R410-D465 IonicContact NH2-OD1 2.88Å; R410-D465 PolarHBondContact NH2-OD1 3.04Å; R462-D465 PolarHBondContact O-N 3.33Å; D465-C469 WeakPolarHBondContact O-CB 3.49Å; D465-C469 PolarHBondContact O-N 3.41Å; D465-C469 PolarHBondContact O-SG 2.91Å
466	L	84.9	Confident	81.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-64.7	-47.6	175.4	-177.9	58	0	0	0	111.4	K461 R462 I463 Q468 C469 I470 Y477 V496 I513	K461-L466 HydrophobicContact CG-CB 3.82Å; K461-L466 HydrophobicContact CG-CD1 4.25Å; R462-L466 WeakPolarHBondContact O-CB 3.47Å; R462-L466 PolarHBondContact O-N 3.46Å; I463-L466 PolarHBondContact O-N 3.38Å; L466-Q468 VanDerWaalsContact C-N 3.32Å; L466-Q468 PolarHBondContact O-N 3.39Å; L466-C469 PolarHBondContact O-N 3.14Å; L466-I470 HydrophobicContact CD1-CD1 3.8Å; L466-I470 HydrophobicContact CD1-CG1 4.23Å; L466-I470 HydrophobicContact CG-CD1 3.76Å; L466-I470 WeakPolarHBondContact O-CD1 3.32Å; L466-I470 VanDerWaalsContact O-CG1 3.24Å; L466-I470 WeakPolarHBondContact O-CG1 3.23Å; L466-I470 PolarHBondContact O-N 3.48Å; L466-Y477 HydrophobicContact CD1-CD2 4.19Å; L466-Y477 HydrophobicContact CD1-CE2 3.75Å; L466-V496 HydrophobicContact CD2-CG1 4.1Å; L466-V496 HydrophobicContact CD2-CG2 4.37Å; L466-I513 HydrophobicContact CD2-CG2 4.01Å
467	A	81.9	Confident	80.9	Confident	6 Å²	6	48.4 Å²	48.4	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-60.3	-42.7	178	0	0	0	0	0	111.6	I463 D464 I470 M471 I513	I463-A467 WeakPolarHBondContact O-CB 3.08Å; I463-A467 PolarHBondContact O-N 3.27Å; D464-A467 PolarHBondContact O-N 2.65Å; A467-I470 PolarHBondContact O-N 2.67Å; A467-M471 WeakPolarHBondContact O-CB 3.42Å; A467-M471 WeakPolarHBondContact O-CG 3.37Å; A467-M471 PolarHBondContact O-N 3.46Å; A467-I513 HydrophobicContact CB-CD1 4.2Å; A467-I513 HydrophobicContact CB-CG1 4.4Å
468	Q	78.8	Confident	80.3	Confident	107 Å²	107	56.5 Å²	56.5	50%	0.5	28%	0.278	S	S	.	.	H	α-helix	trans	-62.6	-47.7	176.3	-73.5	176.4	10.2	0	0	111.8	D464 L466 I470 M471 G472	D464-Q468 VanDerWaalsContact O-CG 3.31Å; D464-Q468 WeakPolarHBondContact O-CG 3.49Å; D464-Q468 PolarHBondContact O-N 3.47Å; D464-Q468 VanDerWaalsContact O-N 3.08Å; L466-Q468 VanDerWaalsContact C-N 3.32Å; L466-Q468 PolarHBondContact O-N 3.39Å; Q468-I470 VanDerWaalsContact C-N 3.31Å; Q468-I470 PolarHBondContact O-N 3.31Å; Q468-M471 PolarHBondContact O-N 3.24Å; Q468-G472 PolarHBondContact O-N 3.14Å
469	C	81.2	Confident	79.7	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.054	29%	0.293	C	S	.	.	H	α-helix	trans	-60.8	-39	178.8	-73.7	0	0	0	0	112.7	D465 L466 E474	D465-C469 WeakPolarHBondContact O-CB 3.49Å; D465-C469 PolarHBondContact O-N 3.41Å; D465-C469 PolarHBondContact O-SG 2.91Å; L466-C469 PolarHBondContact O-N 3.14Å; C469-E474 PolarHBondContact O-N 3.21Å; C469-E474 PolarHBondContact SG-OE2 3.13Å; C469-E474 VanDerWaalsContact SG-OE2 3.36Å
470	I	77.5	Confident	79.3	Confident	40 Å²	40	60.5 Å²	60.5	21%	0.205	30%	0.297	C	S	.	.	H	α-helix	trans	-70.5	-49.2	-180	-63.4	158.9	0	0	0	110.6	L466 A467 Q468 K473 A512 A516	L466-I470 HydrophobicContact CD1-CD1 3.8Å; L466-I470 HydrophobicContact CD1-CG1 4.23Å; L466-I470 HydrophobicContact CG-CD1 3.76Å; L466-I470 WeakPolarHBondContact O-CD1 3.32Å; L466-I470 VanDerWaalsContact O-CG1 3.24Å; L466-I470 WeakPolarHBondContact O-CG1 3.23Å; L466-I470 PolarHBondContact O-N 3.48Å; A467-I470 PolarHBondContact O-N 2.67Å; Q468-I470 VanDerWaalsContact C-N 3.31Å; Q468-I470 PolarHBondContact O-N 3.31Å; I470-K473 PolarHBondContact O-N 3.05Å; I470-A512 HydrophobicContact CG2-CB 4.03Å; I470-A516 HydrophobicContact CD1-CB 3.3Å; I470-A516 HydrophobicContact CG1-CB 3.98Å
471	M	72.8	Confident	79	Confident	101 Å²	101	59.8 Å²	59.8	50%	0.498	29%	0.294	S	S	.	.	H	α-helix	trans	-70.1	-34.9	-177.5	-67.6	-166.4	-57.5	0	0	112.5	A467 Q468 K473 K509	A467-M471 WeakPolarHBondContact O-CB 3.42Å; A467-M471 WeakPolarHBondContact O-CG 3.37Å; A467-M471 PolarHBondContact O-N 3.46Å; Q468-M471 PolarHBondContact O-N 3.24Å; M471-K473 PolarHBondContact O-N 3.34Å; M471-K509 HydrophobicContact CE-CD 4.19Å; M471-K509 HydrophobicContact CE-CG 4.31Å; M471-K509 HydrophobicContact SD-CD 4.38Å; M471-K509 HydrophobicContact SD-CG 3.88Å
472	G	68.6	Low	78.9	Confident	50 Å²	50	63.8 Å²	63.8	52%	0.515	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-3.9	177.8	0	0	0	0	0	114.5	Q468 E474	Q468-G472 PolarHBondContact O-N 3.14Å; G472-E474 PolarHBondContact O-N 3.12Å; G472-E474 VanDerWaalsContact O-N 3.13Å
473	K	63.6	Low	79	Confident	189 Å²	189	63.9 Å²	63.9	82%	0.822	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	33.1	-170.8	-63	179.1	-179.7	172	0	112.3	I470 M471 A475	I470-K473 PolarHBondContact O-N 3.05Å; M471-K473 PolarHBondContact O-N 3.34Å; K473-A475 PolarHBondContact O-N 3.5Å
474	E	63.8	Low	79.2	Confident	87 Å²	87	63.5 Å²	63.5	41%	0.407	31%	0.31	S	S	.	.			trans	-67.6	130.9	-172.5	-67.7	-176.3	168.1	0	0	110.4	C469 G472 R476	C469-E474 PolarHBondContact O-N 3.21Å; C469-E474 PolarHBondContact SG-OE2 3.13Å; C469-E474 VanDerWaalsContact SG-OE2 3.36Å; G472-E474 PolarHBondContact O-N 3.12Å; G472-E474 VanDerWaalsContact O-N 3.13Å; E474-R476 PolarHBondContact O-N 3.01Å
475	A	70.3	Confident	79.6	Confident	78 Å²	78	65.3 Å²	65.3	65%	0.645	32%	0.316	S	S	*	.	H	α-helix	trans	-60	-25.8	176.2	0	0	0	0	0	112.3	K473 Y477 R478 E479	K473-A475 PolarHBondContact O-N 3.5Å; A475-Y477 PolarHBondContact O-N 3.43Å; A475-R478 PolarHBondContact O-N 3.3Å; A475-R478 VanDerWaalsContact O-N 3.14Å; A475-E479 WeakPolarHBondContact O-CB 3.5Å; A475-E479 PolarHBondContact O-N 2.73Å
476	R	77.8	Confident	79.7	Confident	142 Å²	142	69.9 Å²	69.9	54%	0.536	33%	0.33	S	S	.	.	H	α-helix	trans	-54.2	-48.8	-177	-175.4	178.2	177.5	176.1	1.8	113.1	E474 R478 E479 Q480	E474-R476 PolarHBondContact O-N 3.01Å; R476-R478 VanDerWaalsContact C-N 3.27Å; R476-R478 PolarHBondContact O-N 2.91Å; R476-E479 PolarHBondContact O-N 3.07Å; R476-Q480 HydrophobicContact CG-CG 4.24Å; R476-Q480 WeakPolarHBondContact O-CB 3.32Å; R476-Q480 VanDerWaalsContact O-CG 3.32Å; R476-Q480 WeakPolarHBondContact O-CG 3.34Å; R476-Q480 PolarHBondContact O-N 3.31Å
477	Y	77.5	Confident	79.7	Confident	18 Å²	18	70.5 Å²	70.5	7%	0.071	33%	0.334	C	S	.	.	H	α-helix	trans	-62.9	-34.9	-178.7	170.4	-105.7	0	0	0	112.8	L466 A475 K481 Y494 T520	L466-Y477 HydrophobicContact CD1-CD2 4.19Å; L466-Y477 HydrophobicContact CD1-CE2 3.75Å; A475-Y477 PolarHBondContact O-N 3.43Å; Y477-K481 HydrophobicContact CE1-CD 4.42Å; Y477-K481 VanDerWaalsContact CE1-CE 3.41Å; Y477-K481 VanDerWaalsContact CE1-NZ 3.28Å; Y477-K481 HydrophobicContact CE2-CD 4.02Å; Y477-K481 WeakPolarHBondContact O-CG 3.36Å; Y477-K481 PolarHBondContact O-N 2.9Å; Y477-K481 PolarHBondContact OH-NZ 3.3Å; Y477-Y494 AromaticContact CE2-CZ 3.94Å; Y477-Y494 WeakPolarHBondContact CE2-OH 3.25Å; Y477-T520 PolarHBondContact OH-OG1 3.33Å
478	R	81.2	Confident	79.4	Confident	170 Å²	170	72.2 Å²	72.2	64%	0.642	35%	0.352	S	S	*	.	H	α-helix	trans	-75.7	-41.2	177	-63.7	-177.1	-176.8	-175.5	1.1	111.5	A475 R476 F482	A475-R478 PolarHBondContact O-N 3.3Å; A475-R478 VanDerWaalsContact O-N 3.14Å; R476-R478 VanDerWaalsContact C-N 3.27Å; R476-R478 PolarHBondContact O-N 2.91Å; R478-F482 VanDerWaalsContact O-CB 3.27Å; R478-F482 WeakPolarHBondContact O-CB 3.24Å; R478-F482 PolarHBondContact O-N 3.3Å
479	E	82.8	Confident	79.6	Confident	68 Å²	68	67.6 Å²	67.6	32%	0.318	33%	0.331	S	S	.	.	H	α-helix	trans	-64.6	-44.3	178.4	172.9	-93.7	162.7	0	0	112.1	A475 R476 F482 R483	A475-E479 WeakPolarHBondContact O-CB 3.5Å; A475-E479 PolarHBondContact O-N 2.73Å; R476-E479 PolarHBondContact O-N 3.07Å; E479-F482 WeakPolarHBondContact O-CB 3.41Å; E479-F482 PolarHBondContact O-N 2.89Å; E479-R483 WeakPolarHBondContact O-CG 3.38Å; E479-R483 PolarHBondContact O-N 3.45Å; E479-R483 WeakPolarHBondContact OE1-CD 3.3Å; E479-R483 IonicContact OE1-CZ 3.63Å; E479-R483 IonicContact OE1-NE 2.67Å; E479-R483 IonicContact OE1-NH1 3.86Å; E479-R483 PolarHBondContact OE1-NH1 3.34Å
480	Q	85.6	Confident	79.5	Confident	29 Å²	29	71.1 Å²	71.1	14%	0.136	36%	0.361	C	S	.	.	H	α-helix	trans	-56.6	-53.4	174.8	-75.5	-179.7	-46	0	0	111.5	E459 R476 F482 R483 L484	E459-Q480 PolarHBondContact OE1-NE2 3.47Å; R476-Q480 HydrophobicContact CG-CG 4.24Å; R476-Q480 WeakPolarHBondContact O-CB 3.32Å; R476-Q480 VanDerWaalsContact O-CG 3.32Å; R476-Q480 WeakPolarHBondContact O-CG 3.34Å; R476-Q480 PolarHBondContact O-N 3.31Å; Q480-F482 VanDerWaalsContact C-N 3.29Å; Q480-F482 PolarHBondContact O-N 3.39Å; Q480-R483 PolarHBondContact O-N 3.44Å; Q480-R483 VanDerWaalsContact O-N 3.14Å; Q480-L484 WeakPolarHBondContact O-CG 3.37Å; Q480-L484 PolarHBondContact O-N 3.15Å
481	K	88.4	Confident	79.9	Confident	9 Å²	9	73.7 Å²	73.7	4%	0.039	37%	0.368	C	S	.	.	H	α-helix	trans	-62.2	-37.2	178.3	-67.9	-165.4	-63	177.6	0	112.7	Y477 R483 L484 K485 Y494 T520 D524 F526	Y477-K481 HydrophobicContact CE1-CD 4.42Å; Y477-K481 VanDerWaalsContact CE1-CE 3.41Å; Y477-K481 VanDerWaalsContact CE1-NZ 3.28Å; Y477-K481 HydrophobicContact CE2-CD 4.02Å; Y477-K481 WeakPolarHBondContact O-CG 3.36Å; Y477-K481 PolarHBondContact O-N 2.9Å; Y477-K481 PolarHBondContact OH-NZ 3.3Å; K481-R483 VanDerWaalsContact C-N 3.32Å; K481-R483 PolarHBondContact O-N 3.17Å; K481-L484 PolarHBondContact O-N 3.04Å; K481-K485 WeakPolarHBondContact O-CG 3.38Å; K481-K485 PolarHBondContact O-N 3.19Å; K481-Y494 HydrophobicContact CG-CE2 4.43Å; K481-T520 HydrophobicContact CD-CG2 4.2Å; K481-T520 PolarHBondContact NZ-OG1 2.77Å; K481-D524 WeakPolarHBondContact CE-OD2 3.5Å; K481-D524 IonicContact NZ-OD2 3.43Å; K481-D524 PolarHBondContact NZ-OD2 3.14Å; K481-F526 HydrophobicContact CB-CE2 4.02Å; K481-F526 HydrophobicContact CD-CE2 4.2Å; K481-F526 HydrophobicContact CG-CE2 3.97Å
482	F	86.5	Confident	80.9	Confident	99 Å²	99	69.7 Å²	69.7	43%	0.434	35%	0.348	S	S	.	.	H	α-helix	trans	-61.5	-40.6	175.8	177.4	-96.1	0	0	0	112.3	R478 E479 Q480 R486	R478-F482 VanDerWaalsContact O-CB 3.27Å; R478-F482 WeakPolarHBondContact O-CB 3.24Å; R478-F482 PolarHBondContact O-N 3.3Å; E479-F482 WeakPolarHBondContact O-CB 3.41Å; E479-F482 PolarHBondContact O-N 2.89Å; Q480-F482 VanDerWaalsContact C-N 3.29Å; Q480-F482 PolarHBondContact O-N 3.39Å; F482-R486 VanDerWaalsContact CE2-NH2 3.31Å; F482-R486 VanDerWaalsContact CZ-NH2 3.34Å
483	R	86.9	Confident	82.1	Confident	40 Å²	40	67.3 Å²	67.3	15%	0.151	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-40	175.6	-71	168.8	65.4	-140.9	-5.7	112	N434 L435 E479 Q480 K481 R486 C487 G593 K595	N434-R483 PolarHBondContact O-NH2 3.21Å; L435-R483 HydrophobicContact CD2-CB 3.58Å; L435-R483 HydrophobicContact CD2-CG 4.47Å; E479-R483 WeakPolarHBondContact O-CG 3.38Å; E479-R483 PolarHBondContact O-N 3.45Å; E479-R483 WeakPolarHBondContact OE1-CD 3.3Å; E479-R483 IonicContact OE1-CZ 3.63Å; E479-R483 IonicContact OE1-NE 2.67Å; E479-R483 IonicContact OE1-NH1 3.86Å; E479-R483 PolarHBondContact OE1-NH1 3.34Å; Q480-R483 PolarHBondContact O-N 3.44Å; Q480-R483 VanDerWaalsContact O-N 3.14Å; K481-R483 VanDerWaalsContact C-N 3.32Å; K481-R483 PolarHBondContact O-N 3.17Å; R483-R486 CarbonylContact O-C 3.49Å; R483-R486 PolarHBondContact O-N 3.46Å; R483-R486 VanDerWaalsContact O-N 3.17Å; R483-C487 PolarHBondContact O-N 3.13Å; R483-C487 VanDerWaalsContact O-N 3.12Å; R483-G593 PolarHBondContact NH2-O 3.36Å; R483-K595 VanDerWaalsContact CZ-CG 3.47Å; R483-K595 VanDerWaalsContact NH1-CG 3.34Å
484	L	90.5	Very high	83.6	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-59.7	-45.7	174.3	-70.7	168.8	0	0	0	111.7	I457 E459 Q480 K481 R486 C487 I492 F526	I457-L484 HydrophobicContact CD1-CD2 4Å; E459-L484 HydrophobicContact CB-CD1 3.74Å; E459-L484 HydrophobicContact CG-CD1 3.99Å; Q480-L484 WeakPolarHBondContact O-CG 3.37Å; Q480-L484 PolarHBondContact O-N 3.15Å; K481-L484 PolarHBondContact O-N 3.04Å; L484-R486 PolarHBondContact O-N 3.4Å; L484-C487 PolarHBondContact O-N 3.4Å; L484-C487 PolarHBondContact O-SG 3.36Å; L484-I492 HydrophobicContact CB-CD1 4.31Å; L484-I492 HydrophobicContact CB-CG2 4.25Å; L484-I492 HydrophobicContact CD1-CG2 4.37Å; L484-I492 VanDerWaalsContact O-CD1 3.23Å; L484-I492 WeakPolarHBondContact O-CD1 3.46Å; L484-F526 HydrophobicContact CB-CE2 4.19Å; L484-F526 HydrophobicContact CB-CZ 3.9Å; L484-F526 HydrophobicContact CD1-CE2 4.24Å
485	K	88.4	Confident	85	Confident	86 Å²	86	54.3 Å²	54.3	37%	0.374	27%	0.266	S	S	.	.	H	α-helix	trans	-56.6	-28.5	176.9	-73.3	-173.2	-176.9	-171.2	0	113.9	K481 D524 F526	K481-K485 WeakPolarHBondContact O-CG 3.38Å; K481-K485 PolarHBondContact O-N 3.19Å; K485-D524 VanDerWaalsContact CE-CB 3.44Å; K485-D524 WeakPolarHBondContact CE-OD1 2.8Å; K485-D524 IonicContact NZ-OD1 2.75Å; K485-D524 PolarHBondContact NZ-OD1 2.92Å; K485-F526 HydrophobicContact CG-CE1 3.65Å; K485-F526 HydrophobicContact CG-CZ 3.57Å
486	R	84.8	Confident	86.1	Confident	139 Å²	139	50.7 Å²	50.7	53%	0.525	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	3.3	-173.9	-65.3	179.4	176.5	-163.9	-2.3	113.6	F482 R483 L484 G488	F482-R486 VanDerWaalsContact CE2-NH2 3.31Å; F482-R486 VanDerWaalsContact CZ-NH2 3.34Å; R483-R486 CarbonylContact O-C 3.49Å; R483-R486 PolarHBondContact O-N 3.46Å; R483-R486 VanDerWaalsContact O-N 3.17Å; L484-R486 PolarHBondContact O-N 3.4Å; R486-G488 PolarHBondContact O-N 2.84Å
487	C	83.9	Confident	86.6	Confident	14 Å²	14	44.5 Å²	44.5	10%	0.095	21%	0.213	C	C	.	.	S	Bend	trans	-70.5	-21.5	175.8	77.3	0	0	0	0	111.5	L435 R483 L484 V489 K584 F589	L435-C487 HydrophobicContact CD1-CB 3.75Å; R483-C487 PolarHBondContact O-N 3.13Å; R483-C487 VanDerWaalsContact O-N 3.12Å; L484-C487 PolarHBondContact O-N 3.4Å; L484-C487 PolarHBondContact O-SG 3.36Å; C487-V489 VanDerWaalsContact C-N 3.35Å; C487-V489 VanDerWaalsContact SG-CB 3.57Å; C487-V489 PolarHBondContact SG-N 3.27Å; C487-V489 VanDerWaalsContact SG-N 3.44Å; C487-K584 PolarHBondContact O-NZ 2.82Å; C487-F589 HydrophobicContact CB-CE2 3.77Å; C487-F589 HydrophobicContact CB-CZ 4.15Å
488	G	77.1	Confident	86.8	Confident	41 Å²	41	44.7 Å²	44.7	42%	0.423	22%	0.22	S	C	.	.			trans	69.8	32.2	179.3	0	0	0	0	0	112.9	R486 K584	R486-G488 PolarHBondContact O-N 2.84Å; G488-K584 VanDerWaalsContact C-NZ 3.26Å; G488-K584 VanDerWaalsContact CA-NZ 3.29Å; G488-K584 PolarHBondContact O-NZ 3.11Å
489	V	81.9	Confident	86.3	Confident	11 Å²	11	37.9 Å²	37.9	7%	0.067	20%	0.198	C	C	.	.			trans	-88.4	134.5	163.2	170.9	0	0	0	0	107.3	D455 I457 C487 F589	D455-V489 WeakPolarHBondContact O-CG1 3.36Å; I457-V489 HydrophobicContact CB-CG1 4.08Å; I457-V489 HydrophobicContact CG2-CB 4.05Å; I457-V489 HydrophobicContact CG2-CG1 3.76Å; I457-V489 HydrophobicContact CG2-CG2 4.46Å; C487-V489 VanDerWaalsContact C-N 3.35Å; C487-V489 VanDerWaalsContact SG-CB 3.57Å; C487-V489 PolarHBondContact SG-N 3.27Å; C487-V489 VanDerWaalsContact SG-N 3.44Å; V489-F589 HydrophobicContact CG2-CD2 4.44Å; V489-F589 HydrophobicContact CG2-CE2 3.61Å; V489-F589 HydrophobicContact CG2-CZ 4.06Å
490	A	79.5	Confident	85.6	Confident	82 Å²	82	39.6 Å²	39.6	68%	0.678	21%	0.213	S	C	*	.	S	Bend	trans	-66.7	-39.9	-174.8	0	0	0	0	0	113.2	D455	D455-A490 HydrophobicContact CB-CB 4.06Å
491	R	86.9	Confident	84.6	Confident	94 Å²	94	39.5 Å²	39.5	36%	0.355	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	110.9	-176	-165.5	173.5	-169.5	-178.6	0.7	111.8	D455 V456 I457 I493 D527	D455-R491 WeakPolarHBondContact O-CB 3.31Å; D455-R491 PolarHBondContact O-N 3.42Å; V456-R491 WeakPolarHBondContact CA-O 3.5Å; V456-R491 HydrophobicContact CG2-CB 4.3Å; I457-R491 PolarHBondContact N-O 3.35Å; R491-I493 HydrophobicContact CG-CG1 4.25Å; R491-D527 IonicContact CZ-OD2 2.95Å; R491-D527 VanDerWaalsContact CZ-OD2 3.27Å; R491-D527 IonicContact NE-OD2 3.07Å; R491-D527 PolarHBondContact NE-OD2 3.26Å; R491-D527 IonicContact NH2-OD2 3.63Å; R491-D527 PolarHBondContact NH2-OD2 2.85Å
492	I	92.8	Very high	83.6	Confident	16 Å²	16	40.6 Å²	40.6	8%	0.082	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.7	176.2	-59.4	161.8	0	0	0	108.4	I457 L484 F526 D527	I457-I492 HydrophobicContact CG2-CB 4.19Å; I457-I492 HydrophobicContact CG2-CG1 3.72Å; I457-I492 HydrophobicContact CG2-CG2 4.26Å; L484-I492 HydrophobicContact CB-CD1 4.31Å; L484-I492 HydrophobicContact CB-CG2 4.25Å; L484-I492 HydrophobicContact CD1-CG2 4.37Å; L484-I492 VanDerWaalsContact O-CD1 3.23Å; L484-I492 WeakPolarHBondContact O-CD1 3.46Å; I492-F526 HydrophobicContact CB-CD1 3.73Å; I492-F526 HydrophobicContact CB-CE1 3.95Å; I492-F526 HydrophobicContact CB-CG 4.11Å; I492-F526 HydrophobicContact CB-CZ 4.46Å; I492-F526 HydrophobicContact CD1-CD1 4.01Å; I492-F526 HydrophobicContact CD1-CE1 3.39Å; I492-F526 HydrophobicContact CD1-CZ 3.9Å; I492-F526 HydrophobicContact CG1-CD1 4.49Å; I492-F526 HydrophobicContact CG1-CE1 4.27Å; I492-F526 HydrophobicContact CG2-CB 4.4Å; I492-F526 HydrophobicContact CG2-CD1 3.75Å; I492-F526 HydrophobicContact CG2-CD2 3.77Å; I492-F526 HydrophobicContact CG2-CE1 3.84Å; I492-F526 HydrophobicContact CG2-CE2 3.84Å; I492-F526 HydrophobicContact CG2-CG 3.72Å; I492-F526 HydrophobicContact CG2-CZ 3.88Å; I492-F526 WeakPolarHBondContact O-CA 2.93Å; I492-D527 PolarHBondContact O-N 3.47Å
493	I	94.4	Very high	82.7	Confident	0 Å²	0	42 Å²	42	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	126.9	-179.9	-51.4	179.7	0	0	0	108.6	V456 I457 I458 E459 R491 D527 V529 M544	V456-I493 HydrophobicContact CG1-CD1 3.78Å; V456-I493 HydrophobicContact CG1-CG1 4.39Å; I457-I493 PolarHBondContact O-N 3.24Å; I458-I493 CarbonylContact C-O 3.55Å; I458-I493 VanDerWaalsContact CA-O 3.3Å; I458-I493 WeakPolarHBondContact CA-O 3.45Å; I458-I493 HydrophobicContact CD1-CD1 4.44Å; I458-I493 HydrophobicContact CG1-CB 4.08Å; I458-I493 HydrophobicContact CG1-CD1 4.36Å; E459-I493 PolarHBondContact N-O 3.34Å; R491-I493 HydrophobicContact CG-CG1 4.25Å; I493-D527 CarbonylContact C-O 3.51Å; I493-D527 VanDerWaalsContact CA-O 3.31Å; I493-D527 WeakPolarHBondContact CA-O 3.32Å; I493-D527 HydrophobicContact CG1-CB 4.23Å; I493-D527 HydrophobicContact CG2-CB 4.48Å; I493-V529 HydrophobicContact CG2-CB 4.3Å; I493-V529 HydrophobicContact CG2-CG2 3.79Å; I493-M544 HydrophobicContact CD1-CE 3.72Å
494	Y	94.1	Very high	81.9	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	102.3	175.7	-155.3	-90.7	0	0	0	109	E459 K461 Y477 K481 V496 T520 F526 D527 V528 V529	E459-Y494 HydrophobicContact CB-CD2 4.14Å; E459-Y494 HydrophobicContact CB-CE2 4.26Å; E459-Y494 HydrophobicContact CG-CD2 4.31Å; E459-Y494 HydrophobicContact CG-CE2 3.91Å; E459-Y494 CarbonylContact O-C 3.54Å; E459-Y494 WeakPolarHBondContact O-CA 3.43Å; K461-Y494 HydrophobicContact CB-CE1 3.68Å; K461-Y494 WeakPolarHBondContact CB-OH 3.38Å; K461-Y494 HydrophobicContact CG-CE1 4.29Å; K461-Y494 WeakPolarHBondContact CG-OH 3.47Å; Y477-Y494 AromaticContact CE2-CZ 3.94Å; Y477-Y494 WeakPolarHBondContact CE2-OH 3.25Å; K481-Y494 HydrophobicContact CG-CE2 4.43Å; Y494-V496 HydrophobicContact CD1-CG2 3.8Å; Y494-V496 HydrophobicContact CE1-CG2 4.09Å; Y494-T520 HydrophobicContact CD1-CG2 4.45Å; Y494-T520 HydrophobicContact CD2-CG2 4.26Å; Y494-T520 HydrophobicContact CG-CG2 3.98Å; Y494-F526 HydrophobicContact CD2-CD2 4.42Å; Y494-D527 PolarHBondContact N-O 3.03Å; Y494-V528 WeakPolarHBondContact O-CA 3.38Å; Y494-V529 PolarHBondContact O-N 3.47Å
495	L	94.4	Very high	81.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	114.1	-176.6	-171.6	153.6	0	0	0	109.8	I458 E459 R460 K461 E497 V529 T531 T537 Y540	I458-L495 HydrophobicContact CG2-CB 3.74Å; I458-L495 HydrophobicContact CG2-CD1 4.34Å; E459-L495 PolarHBondContact O-N 2.86Å; R460-L495 CarbonylContact C-O 3.48Å; R460-L495 WeakPolarHBondContact CA-O 3.35Å; R460-L495 HydrophobicContact CB-CD2 4.43Å; R460-L495 HydrophobicContact CG-CD2 4.02Å; K461-L495 PolarHBondContact N-O 3.12Å; L495-E497 HydrophobicContact CD2-CB 4.18Å; L495-V529 CarbonylContact C-O 3.59Å; L495-V529 WeakPolarHBondContact CA-O 3.4Å; L495-T531 HydrophobicContact CD1-CG2 4.28Å; L495-T531 HydrophobicContact CD2-CG2 4.24Å; L495-T531 HydrophobicContact CG-CG2 4.23Å; L495-T537 HydrophobicContact CD1-CG2 3.95Å; L495-T537 HydrophobicContact CD2-CG2 3.97Å; L495-Y540 HydrophobicContact CD1-CD1 3.74Å; L495-Y540 HydrophobicContact CD1-CE1 4.16Å
496	V	92.1	Very high	80.5	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	107.9	179.5	-175.3	0	0	0	0	109.5	K461 I463 L466 Y494 V528 V529 K530 T531	K461-V496 WeakPolarHBondContact O-CA 3.23Å; I463-V496 HydrophobicContact CD1-CG1 4.44Å; L466-V496 HydrophobicContact CD2-CG1 4.1Å; L466-V496 HydrophobicContact CD2-CG2 4.37Å; Y494-V496 HydrophobicContact CD1-CG2 3.8Å; Y494-V496 HydrophobicContact CE1-CG2 4.09Å; V496-V528 HydrophobicContact CG2-CG1 4.24Å; V496-V529 PolarHBondContact N-O 2.92Å; V496-K530 HydrophobicContact CB-CG 4.49Å; V496-K530 WeakPolarHBondContact O-CA 3.37Å; V496-T531 PolarHBondContact O-N 3.04Å
497	E	89.9	Confident	80.2	Confident	13 Å²	13	44.7 Å²	44.7	6%	0.061	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	147.7	-178.3	-170.4	-174.4	97.6	0	0	111.9	R460 K461 I463 L495 T531 V534 T537	R460-E497 IonicContact CZ-OE1 3.94Å; R460-E497 IonicContact CZ-OE2 2.71Å; R460-E497 IonicContact NE-OE1 3.78Å; R460-E497 IonicContact NE-OE2 3.38Å; R460-E497 PolarHBondContact NE-OE2 3.06Å; R460-E497 IonicContact NH2-OE1 3.58Å; R460-E497 PolarHBondContact NH2-OE1 2.9Å; R460-E497 IonicContact NH2-OE2 3.98Å; R460-E497 PolarHBondContact NH2-OE2 2.83Å; R460-E497 VanDerWaalsContact NH2-OE2 3.07Å; K461-E497 PolarHBondContact O-N 3.3Å; I463-E497 WeakPolarHBondContact CB-O 3.43Å; I463-E497 PolarHBondContact N-O 3.43Å; L495-E497 HydrophobicContact CD2-CB 4.18Å; E497-T531 CarbonylContact C-O 3.53Å; E497-T531 WeakPolarHBondContact CA-O 3.47Å; E497-V534 WeakPolarHBondContact OE1-CG2 3.27Å; E497-T537 PolarHBondContact OE2-OG1 3.23Å
498	G	81.5	Confident	79.7	Confident	21 Å²	21	47.8 Å²	47.8	22%	0.216	31%	0.306	C	S	.	.			trans	100.9	25.7	171.4	0	0	0	0	0	113.4	I463 V500 G501 T531 A532	I463-G498 WeakPolarHBondContact CG2-O 3.37Å; G498-V500 PolarHBondContact O-N 3.2Å; G498-V500 VanDerWaalsContact O-N 3.17Å; G498-G501 PolarHBondContact O-N 3.36Å; G498-G501 VanDerWaalsContact O-N 3.09Å; G498-T531 PolarHBondContact N-O 3.32Å; G498-A532 VanDerWaalsContact CA-O 3.27Å; G498-A532 WeakPolarHBondContact CA-O 3.49Å; G498-A532 PolarHBondContact N-O 3.45Å
499	C	70.3	Confident	79.8	Confident	27 Å²	27	49.5 Å²	49.5	18%	0.182	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-63.9	-22.5	-171.2	-65.6	0	0	0	0	114.3	G501 I502 T531	C499-G501 PolarHBondContact O-N 2.87Å; C499-I502 HydrophobicContact CB-CD1 3.86Å; C499-I502 VanDerWaalsContact O-CB 3.3Å; C499-I502 WeakPolarHBondContact O-CB 3.44Å; C499-I502 WeakPolarHBondContact O-CG1 3.45Å; C499-I502 PolarHBondContact O-N 3.42Å; C499-I502 VanDerWaalsContact O-N 3.09Å; C499-T531 PolarHBondContact N-O 3.44Å; C499-T531 PolarHBondContact SG-O 2.92Å
500	V	68.3	Low	79.8	Confident	105 Å²	105	51.5 Å²	51.5	64%	0.636	31%	0.309	S	S	*	.	G	3₁₀ helix	trans	-61.6	-32	175.2	-171.7	0	0	0	0	111.7	G498 I502 A532	G498-V500 PolarHBondContact O-N 3.2Å; G498-V500 VanDerWaalsContact O-N 3.17Å; V500-I502 PolarHBondContact O-N 2.98Å; V500-A532 HydrophobicContact CG2-CB 3.56Å
501	G	63.7	Low	79.9	Confident	27 Å²	27	48 Å²	48	28%	0.278	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-77.6	-3.9	178.7	0	0	0	0	0	114.1	G498 C499 D503 S504 M505	G498-G501 PolarHBondContact O-N 3.36Å; G498-G501 VanDerWaalsContact O-N 3.09Å; C499-G501 PolarHBondContact O-N 2.87Å; G501-D503 VanDerWaalsContact C-N 3.33Å; G501-D503 PolarHBondContact O-N 3.29Å; G501-S504 PolarHBondContact O-OG 3.13Å; G501-S504 VanDerWaalsContact O-OG 3.05Å; G501-M505 WeakPolarHBondContact O-CG 3.26Å
502	I	68.1	Low	79.7	Confident	32 Å²	32	43.8 Å²	43.8	16%	0.164	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-64.1	-41.9	-176.9	-68	173.6	0	0	0	110.6	I463 C499 V500 S504 M505 K510	I463-I502 HydrophobicContact CD1-CD1 3.39Å; I463-I502 HydrophobicContact CD1-CG1 3.16Å; I463-I502 HydrophobicContact CG1-CG1 4.4Å; C499-I502 HydrophobicContact CB-CD1 3.86Å; C499-I502 VanDerWaalsContact O-CB 3.3Å; C499-I502 WeakPolarHBondContact O-CB 3.44Å; C499-I502 WeakPolarHBondContact O-CG1 3.45Å; C499-I502 PolarHBondContact O-N 3.42Å; C499-I502 VanDerWaalsContact O-N 3.09Å; V500-I502 PolarHBondContact O-N 2.98Å; I502-S504 PolarHBondContact O-N 2.99Å; I502-M505 WeakPolarHBondContact O-CB 3.32Å; I502-M505 PolarHBondContact O-N 3.35Å; I502-K510 HydrophobicContact CG2-CB 4.35Å; I502-K510 HydrophobicContact CG2-CD 4.07Å; I502-K510 HydrophobicContact CG2-CG 3.92Å; I502-K510 WeakPolarHBondContact O-CD 3.31Å; I502-K510 WeakPolarHBondContact O-CE 3.06Å; I502-K510 WeakPolarHBondContact O-CG 2.89Å
503	D	68	Low	79.4	Confident	127 Å²	127	43.4 Å²	43.4	68%	0.679	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.6	-170.5	-67.7	-36.1	0	0	0	113.5	G501 K510	G501-D503 VanDerWaalsContact C-N 3.33Å; G501-D503 PolarHBondContact O-N 3.29Å; D503-K510 VanDerWaalsContact O-CE 3.31Å; D503-K510 WeakPolarHBondContact O-CE 3.46Å; D503-K510 PolarHBondContact O-NZ 3.37Å
504	S	70.1	Confident	79	Confident	109 Å²	109	47.2 Å²	47.2	76%	0.762	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-7.4	175.1	61	0	0	0	0	114.1	G501 I502	G501-S504 PolarHBondContact O-OG 3.13Å; G501-S504 VanDerWaalsContact O-OG 3.05Å; I502-S504 PolarHBondContact O-N 2.99Å
505	M	72.8	Confident	78.6	Confident	41 Å²	41	47.3 Å²	47.3	20%	0.202	28%	0.28	C	S	.	.	S	Bend	trans	-77.7	153.6	176.5	-61.1	-163.7	-178.2	0	0	111.9	I463 G501 I502 K509 K510 I513	I463-M505 HydrophobicContact CG1-CE 4.15Å; I463-M505 HydrophobicContact CG2-CE 3.72Å; G501-M505 WeakPolarHBondContact O-CG 3.26Å; I502-M505 WeakPolarHBondContact O-CB 3.32Å; I502-M505 PolarHBondContact O-N 3.35Å; M505-K509 HydrophobicContact CB-CB 4.26Å; M505-K509 HydrophobicContact SD-CB 4.45Å; M505-K510 HydrophobicContact CB-CG 4.19Å; M505-K510 WeakPolarHBondContact O-CE 3.46Å; M505-I513 HydrophobicContact SD-CD1 3.92Å
506	A	76.2	Confident	78.3	Confident	53 Å²	53	47.7 Å²	47.7	44%	0.438	28%	0.284	S	S	.	.			trans	-57.4	142	169.4	0	0	0	0	0	111.3	C508 K509 K510	A506-C508 PolarHBondContact O-N 2.87Å; A506-C508 VanDerWaalsContact O-N 3.12Å; A506-K509 WeakPolarHBondContact O-CA 3.43Å; A506-K509 WeakPolarHBondContact O-CB 3.36Å; A506-K509 PolarHBondContact O-N 3.18Å; A506-K510 PolarHBondContact O-N 2.87Å; A506-K510 VanDerWaalsContact O-N 3.16Å
507	D	77.7	Confident	78.1	Confident	121 Å²	121	48.1 Å²	48.1	65%	0.647	29%	0.287	S	S	*	.	H	α-helix	trans	-56.7	-34.3	-174.6	-65	-35.5	0	0	0	113.4	K509 K510 A511	D507-K509 VanDerWaalsContact C-N 3.27Å; D507-K509 PolarHBondContact O-N 2.73Å; D507-K510 PolarHBondContact O-N 3.25Å; D507-K510 IonicContact OD1-NZ 3.36Å; D507-A511 VanDerWaalsContact O-CB 3.32Å; D507-A511 WeakPolarHBondContact O-CB 3.47Å; D507-A511 PolarHBondContact O-N 2.79Å
508	C	73.4	Confident	78.1	Confident	78 Å²	78	48.3 Å²	48.3	53%	0.527	29%	0.289	S	S	.	.	H	α-helix	trans	-60.6	-35.9	174.9	64.1	0	0	0	0	112.7	A506 A512	A506-C508 PolarHBondContact O-N 2.87Å; A506-C508 VanDerWaalsContact O-N 3.12Å; C508-A512 VanDerWaalsContact O-CB 3.25Å; C508-A512 WeakPolarHBondContact O-CB 3.46Å; C508-A512 PolarHBondContact O-N 3.45Å
509	K	79.2	Confident	78.4	Confident	77 Å²	77	50.3 Å²	50.3	34%	0.335	29%	0.292	S	S	.	.	H	α-helix	trans	-73.3	-43.8	175.7	-63.1	-174.7	-174.7	-178.3	0	110.8	M471 M505 A506 D507 A511 A512 I513	M471-K509 HydrophobicContact CE-CD 4.19Å; M471-K509 HydrophobicContact CE-CG 4.31Å; M471-K509 HydrophobicContact SD-CD 4.38Å; M471-K509 HydrophobicContact SD-CG 3.88Å; M505-K509 HydrophobicContact CB-CB 4.26Å; M505-K509 HydrophobicContact SD-CB 4.45Å; A506-K509 WeakPolarHBondContact O-CA 3.43Å; A506-K509 WeakPolarHBondContact O-CB 3.36Å; A506-K509 PolarHBondContact O-N 3.18Å; D507-K509 VanDerWaalsContact C-N 3.27Å; D507-K509 PolarHBondContact O-N 2.73Å; K509-A511 VanDerWaalsContact C-N 3.32Å; K509-A511 PolarHBondContact O-N 3.31Å; K509-A512 PolarHBondContact O-N 2.91Å; K509-I513 WeakPolarHBondContact O-CD1 3.31Å; K509-I513 VanDerWaalsContact O-CG1 3.3Å; K509-I513 WeakPolarHBondContact O-CG1 3.34Å; K509-I513 PolarHBondContact O-N 3.27Å
510	K	82.3	Confident	79.3	Confident	53 Å²	53	49 Å²	49	23%	0.23	28%	0.283	C	S	.	.	H	α-helix	trans	-57.1	-48.7	176.3	-58	-170.3	-162.3	-175.3	0	110.7	I502 D503 M505 A506 D507 I513 R514	I502-K510 HydrophobicContact CG2-CB 4.35Å; I502-K510 HydrophobicContact CG2-CD 4.07Å; I502-K510 HydrophobicContact CG2-CG 3.92Å; I502-K510 WeakPolarHBondContact O-CD 3.31Å; I502-K510 WeakPolarHBondContact O-CE 3.06Å; I502-K510 WeakPolarHBondContact O-CG 2.89Å; D503-K510 VanDerWaalsContact O-CE 3.31Å; D503-K510 WeakPolarHBondContact O-CE 3.46Å; D503-K510 PolarHBondContact O-NZ 3.37Å; M505-K510 HydrophobicContact CB-CG 4.19Å; M505-K510 WeakPolarHBondContact O-CE 3.46Å; A506-K510 PolarHBondContact O-N 2.87Å; A506-K510 VanDerWaalsContact O-N 3.16Å; D507-K510 PolarHBondContact O-N 3.25Å; D507-K510 IonicContact OD1-NZ 3.36Å; K510-I513 PolarHBondContact O-N 3.14Å; K510-R514 WeakPolarHBondContact O-CB 3.21Å; K510-R514 PolarHBondContact O-N 3.21Å
511	A	82	Confident	80.4	Confident	10 Å²	10	51 Å²	51	8%	0.083	28%	0.279	C	S	.	.	H	α-helix	trans	-56.5	-53.9	174.3	0	0	0	0	0	110.5	E72 L76 D507 K509 I513 R514 G515	E72-A511 HydrophobicContact CG-CB 3.97Å; E72-A511 WeakPolarHBondContact OE1-CB 3.41Å; L76-A511 HydrophobicContact CD1-CB 4.28Å; L76-A511 HydrophobicContact CD2-CB 4.18Å; L76-A511 WeakPolarHBondContact CD2-O 3.36Å; D507-A511 VanDerWaalsContact O-CB 3.32Å; D507-A511 WeakPolarHBondContact O-CB 3.47Å; D507-A511 PolarHBondContact O-N 2.79Å; K509-A511 VanDerWaalsContact C-N 3.32Å; K509-A511 PolarHBondContact O-N 3.31Å; A511-I513 VanDerWaalsContact C-N 3.31Å; A511-I513 PolarHBondContact O-N 3.31Å; A511-R514 WeakPolarHBondContact O-CA 3.36Å; A511-R514 WeakPolarHBondContact O-CB 3.3Å; A511-R514 PolarHBondContact O-N 2.73Å; A511-G515 PolarHBondContact O-N 2.94Å
512	A	82.9	Confident	81.6	Confident	5 Å²	5	52.4 Å²	52.4	4%	0.041	28%	0.282	C	S	.	.	H	α-helix	trans	-54.3	-45.2	-178.5	0	0	0	0	0	112.6	T75 I470 C508 K509 A516	T75-A512 HydrophobicContact CG2-CB 3.97Å; I470-A512 HydrophobicContact CG2-CB 4.03Å; C508-A512 VanDerWaalsContact O-CB 3.25Å; C508-A512 WeakPolarHBondContact O-CB 3.46Å; C508-A512 PolarHBondContact O-N 3.45Å; K509-A512 PolarHBondContact O-N 2.91Å; A512-A516 WeakPolarHBondContact O-CB 3.41Å; A512-A516 PolarHBondContact O-N 2.98Å
513	I	85.8	Confident	82.5	Confident	7 Å²	7	54.9 Å²	54.9	4%	0.036	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-48.1	175.9	-67.4	156.2	0	0	0	110.5	I463 L466 A467 M505 K509 K510 A511 G515 A516 C517	I463-I513 HydrophobicContact CD1-CD1 3.92Å; I463-I513 HydrophobicContact CD1-CG2 4.05Å; I463-I513 HydrophobicContact CG1-CD1 3.48Å; I463-I513 VanDerWaalsContact CG1-CD1 3.48Å; I463-I513 HydrophobicContact CG1-CG1 4.26Å; I463-I513 HydrophobicContact CG1-CG2 4.36Å; L466-I513 HydrophobicContact CD2-CG2 4.01Å; A467-I513 HydrophobicContact CB-CD1 4.2Å; A467-I513 HydrophobicContact CB-CG1 4.4Å; M505-I513 HydrophobicContact SD-CD1 3.92Å; K509-I513 WeakPolarHBondContact O-CD1 3.31Å; K509-I513 VanDerWaalsContact O-CG1 3.3Å; K509-I513 WeakPolarHBondContact O-CG1 3.34Å; K509-I513 PolarHBondContact O-N 3.27Å; K510-I513 PolarHBondContact O-N 3.14Å; A511-I513 VanDerWaalsContact C-N 3.31Å; A511-I513 PolarHBondContact O-N 3.31Å; I513-G515 PolarHBondContact O-N 2.98Å; I513-A516 PolarHBondContact O-N 3.34Å; I513-C517 PolarHBondContact O-N 3.37Å; I513-C517 PolarHBondContact O-SG 3.03Å; I513-C517 VanDerWaalsContact O-SG 3.36Å
514	R	86.6	Confident	83.3	Confident	81 Å²	81	49.8 Å²	49.8	31%	0.306	27%	0.268	S	S	.	.	H	α-helix	trans	-56.5	-48.3	177.3	-179.8	171.4	64.3	168.6	2.4	111.4	E66 H68 E72 K510 A511 A516 C517 S518	E66-R514 PolarHBondContact O-NH2 3.18Å; H68-R514 PolarHBondContact CD2-NH2 3.27Å; H68-R514 PolarHBondContact NE2-NH1 3.17Å; H68-R514 PolarHBondContact NE2-NH2 3.18Å; H68-R514 VanDerWaalsContact NE2-NH2 3.18Å; E72-R514 IonicContact OE1-CZ 3.11Å; E72-R514 IonicContact OE1-NH2 3.79Å; E72-R514 PolarHBondContact OE1-NH2 3.32Å; E72-R514 IonicContact OE2-NH2 3.81Å; K510-R514 WeakPolarHBondContact O-CB 3.21Å; K510-R514 PolarHBondContact O-N 3.21Å; A511-R514 WeakPolarHBondContact O-CA 3.36Å; A511-R514 WeakPolarHBondContact O-CB 3.3Å; A511-R514 PolarHBondContact O-N 2.73Å; R514-A516 PolarHBondContact O-N 3.26Å; R514-C517 PolarHBondContact O-N 2.89Å; R514-S518 WeakPolarHBondContact O-CB 3.48Å; R514-S518 PolarHBondContact O-N 2.76Å; R514-S518 PolarHBondContact O-OG 3.06Å; R514-S518 VanDerWaalsContact O-OG 3.14Å
515	G	86.3	Confident	84.2	Confident	5 Å²	5	50.4 Å²	50.4	5%	0.052	26%	0.262	C	S	.	.	H	α-helix	trans	-64.6	-37.5	177.2	0	0	0	0	0	113.2	A511 I513 S518 K519	A511-G515 PolarHBondContact O-N 2.94Å; I513-G515 PolarHBondContact O-N 2.98Å; G515-S518 PolarHBondContact O-N 3.47Å; G515-K519 VanDerWaalsContact O-CB 3.23Å; G515-K519 WeakPolarHBondContact O-CB 3.36Å; G515-K519 PolarHBondContact O-N 3.14Å
516	A	86.5	Confident	85.1	Confident	9 Å²	9	48.6 Å²	48.6	7%	0.074	25%	0.254	C	S	.	.	H	α-helix	trans	-68.1	-40.4	175.9	0	0	0	0	0	112.9	I470 A512 I513 R514 K519 T520	I470-A516 HydrophobicContact CD1-CB 3.3Å; I470-A516 HydrophobicContact CG1-CB 3.98Å; A512-A516 WeakPolarHBondContact O-CB 3.41Å; A512-A516 PolarHBondContact O-N 2.98Å; I513-A516 PolarHBondContact O-N 3.34Å; R514-A516 PolarHBondContact O-N 3.26Å; A516-K519 PolarHBondContact O-N 3.17Å; A516-T520 WeakPolarHBondContact O-CB 3.47Å; A516-T520 PolarHBondContact O-N 3Å; A516-T520 PolarHBondContact O-OG1 2.97Å
517	C	88.8	Confident	85.9	Confident	10 Å²	10	48.5 Å²	48.5	7%	0.068	25%	0.245	C	C	.	.	H	α-helix	trans	-61.8	-48.5	172.2	-70.4	0	0	0	0	111	I513 R514 K519 T520 R521 V528	I513-C517 PolarHBondContact O-N 3.37Å; I513-C517 PolarHBondContact O-SG 3.03Å; I513-C517 VanDerWaalsContact O-SG 3.36Å; R514-C517 PolarHBondContact O-N 2.89Å; C517-K519 VanDerWaalsContact C-N 3.33Å; C517-K519 PolarHBondContact O-N 2.96Å; C517-T520 PolarHBondContact O-N 2.96Å; C517-T520 VanDerWaalsContact O-N 3.15Å; C517-R521 PolarHBondContact O-N 3.38Å; C517-V528 HydrophobicContact CB-CG1 4.2Å
518	S	89.3	Confident	86.6	Confident	17 Å²	17	43.1 Å²	43.1	12%	0.119	22%	0.217	C	C	.	.	H	α-helix	trans	-59.5	-43.3	177.1	-68.7	0	0	0	0	112	S65 R514 G515 T520 R521 V522	S65-S518 PolarHBondContact OG-OG 3.03Å; R514-S518 WeakPolarHBondContact O-CB 3.48Å; R514-S518 PolarHBondContact O-N 2.76Å; R514-S518 PolarHBondContact O-OG 3.06Å; R514-S518 VanDerWaalsContact O-OG 3.14Å; G515-S518 PolarHBondContact O-N 3.47Å; S518-T520 VanDerWaalsContact C-N 3.35Å; S518-T520 PolarHBondContact O-N 3.21Å; S518-R521 PolarHBondContact O-N 3.23Å; S518-V522 WeakPolarHBondContact O-CB 3.34Å; S518-V522 WeakPolarHBondContact O-CG2 3.44Å; S518-V522 PolarHBondContact O-N 3.12Å
519	K	87.8	Confident	87.6	Confident	62 Å²	62	41 Å²	41	27%	0.27	20%	0.202	S	C	.	.	H	α-helix	trans	-61.5	-42.3	174.5	176.4	164.5	-175.8	174.4	0	112.3	G515 A516 C517 R521 I523 D524	G515-K519 VanDerWaalsContact O-CB 3.23Å; G515-K519 WeakPolarHBondContact O-CB 3.36Å; G515-K519 PolarHBondContact O-N 3.14Å; A516-K519 PolarHBondContact O-N 3.17Å; C517-K519 VanDerWaalsContact C-N 3.33Å; C517-K519 PolarHBondContact O-N 2.96Å; K519-R521 VanDerWaalsContact C-N 3.32Å; K519-I523 HydrophobicContact CD-CD1 4.3Å; K519-I523 HydrophobicContact CG-CB 4.19Å; K519-I523 HydrophobicContact CG-CD1 3.9Å; K519-I523 HydrophobicContact CG-CG1 4.14Å; K519-I523 WeakPolarHBondContact O-CA 3.34Å; K519-I523 VanDerWaalsContact O-CB 3.27Å; K519-I523 WeakPolarHBondContact O-CB 3.49Å; K519-I523 PolarHBondContact O-N 3.49Å; K519-D524 PolarHBondContact O-N 3.21Å
520	T	90	Very high	88.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-66.2	-38.1	179.1	-56.8	0	0	0	0	111.3	Y477 K481 Y494 A516 C517 S518 D524 N525 F526 V528	Y477-T520 PolarHBondContact OH-OG1 3.33Å; K481-T520 HydrophobicContact CD-CG2 4.2Å; K481-T520 PolarHBondContact NZ-OG1 2.77Å; Y494-T520 HydrophobicContact CD1-CG2 4.45Å; Y494-T520 HydrophobicContact CD2-CG2 4.26Å; Y494-T520 HydrophobicContact CG-CG2 3.98Å; A516-T520 WeakPolarHBondContact O-CB 3.47Å; A516-T520 PolarHBondContact O-N 3Å; A516-T520 PolarHBondContact O-OG1 2.97Å; C517-T520 PolarHBondContact O-N 2.96Å; C517-T520 VanDerWaalsContact O-N 3.15Å; S518-T520 VanDerWaalsContact C-N 3.35Å; S518-T520 PolarHBondContact O-N 3.21Å; T520-D524 WeakPolarHBondContact CA-OD2 3.48Å; T520-D524 CarbonylContact O-C 3.57Å; T520-D524 WeakPolarHBondContact O-CB 3.3Å; T520-D524 PolarHBondContact O-N 3.44Å; T520-N525 PolarHBondContact O-N 3.32Å; T520-F526 HydrophobicContact CG2-CB 3.86Å; T520-F526 HydrophobicContact CG2-CD2 3.72Å; T520-F526 HydrophobicContact CG2-CG 4.18Å; T520-F526 PolarHBondContact O-N 2.71Å; T520-F526 VanDerWaalsContact O-N 3.14Å; T520-V528 HydrophobicContact CG2-CG2 4.03Å
521	R	90.6	Very high	88.7	Confident	148 Å²	148	41 Å²	41	56%	0.558	20%	0.202	S	C	*	.	H	α-helix	trans	-70.5	-47.4	175.8	-170.9	176.9	-76.9	-162.9	-5.5	112.8	C517 S518 K519 N525 F526 V528	C517-R521 PolarHBondContact O-N 3.38Å; S518-R521 PolarHBondContact O-N 3.23Å; K519-R521 VanDerWaalsContact C-N 3.32Å; R521-N525 WeakPolarHBondContact O-CA 3.44Å; R521-N525 PolarHBondContact O-N 2.78Å; R521-F526 WeakPolarHBondContact CA-O 3.38Å; R521-V528 HydrophobicContact CB-CG2 3.98Å; R521-V528 PolarHBondContact NH2-O 3.49Å
522	V	89.1	Confident	88.9	Confident	55 Å²	55	41.4 Å²	41.4	33%	0.333	21%	0.205	S	C	.	.	H	α-helix	trans	-88.2	-46.6	-170.8	178	0	0	0	0	112.9	M62 P64 S518	M62-V522 HydrophobicContact CE-CG1 4.05Å; P64-V522 HydrophobicContact CB-CG2 4.26Å; P64-V522 HydrophobicContact CG-CG2 3.86Å; S518-V522 WeakPolarHBondContact O-CB 3.34Å; S518-V522 WeakPolarHBondContact O-CG2 3.44Å; S518-V522 PolarHBondContact O-N 3.12Å
523	I	86.3	Confident	89.1	Confident	84 Å²	84	44.4 Å²	44.4	43%	0.431	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-40.8	-175.3	-53.8	-167.9	0	0	0	110.9	K519	K519-I523 HydrophobicContact CD-CD1 4.3Å; K519-I523 HydrophobicContact CG-CB 4.19Å; K519-I523 HydrophobicContact CG-CD1 3.9Å; K519-I523 HydrophobicContact CG-CG1 4.14Å; K519-I523 WeakPolarHBondContact O-CA 3.34Å; K519-I523 VanDerWaalsContact O-CB 3.27Å; K519-I523 WeakPolarHBondContact O-CB 3.49Å; K519-I523 PolarHBondContact O-N 3.49Å
524	D	86.9	Confident	89.2	Confident	21 Å²	21	45.1 Å²	45.1	11%	0.112	23%	0.225	C	C	.	.	S	Bend	trans	-88.2	-12.2	-178.6	-54	-55.6	0	0	0	113.5	K481 K485 K519 T520 F526	K481-D524 WeakPolarHBondContact CE-OD2 3.5Å; K481-D524 IonicContact NZ-OD2 3.43Å; K481-D524 PolarHBondContact NZ-OD2 3.14Å; K485-D524 VanDerWaalsContact CE-CB 3.44Å; K485-D524 WeakPolarHBondContact CE-OD1 2.8Å; K485-D524 IonicContact NZ-OD1 2.75Å; K485-D524 PolarHBondContact NZ-OD1 2.92Å; K519-D524 PolarHBondContact O-N 3.21Å; T520-D524 WeakPolarHBondContact CA-OD2 3.48Å; T520-D524 CarbonylContact O-C 3.57Å; T520-D524 WeakPolarHBondContact O-CB 3.3Å; T520-D524 PolarHBondContact O-N 3.44Å; D524-F526 HydrophobicContact CB-CD1 4.25Å; D524-F526 HydrophobicContact CB-CD2 4.21Å; D524-F526 HydrophobicContact CB-CE1 4.32Å; D524-F526 HydrophobicContact CB-CE2 4.3Å; D524-F526 HydrophobicContact CB-CG 4.19Å; D524-F526 HydrophobicContact CB-CZ 4.36Å; D524-F526 WeakPolarHBondContact O-CD1 3.32Å; D524-F526 VanDerWaalsContact O-CE1 3.3Å; D524-F526 WeakPolarHBondContact O-CE1 3.41Å; D524-F526 PolarHBondContact O-N 2.79Å
525	N	88.3	Confident	89.4	Confident	121 Å²	121	43.7 Å²	43.7	65%	0.647	23%	0.231	S	C	*	.			trans	56.4	36.4	-178.7	-164.3	43	0	0	0	112.9	T520 R521	T520-N525 PolarHBondContact O-N 3.32Å; R521-N525 WeakPolarHBondContact O-CA 3.44Å; R521-N525 PolarHBondContact O-N 2.78Å
526	F	92.3	Very high	89.7	Confident	4 Å²	4	47.2 Å²	47.2	2%	0.018	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-97.5	145	174.8	-62.3	-7.7	0	0	0	110.2	K481 L484 K485 I492 Y494 T520 R521 D524 V528	K481-F526 HydrophobicContact CB-CE2 4.02Å; K481-F526 HydrophobicContact CD-CE2 4.2Å; K481-F526 HydrophobicContact CG-CE2 3.97Å; L484-F526 HydrophobicContact CB-CE2 4.19Å; L484-F526 HydrophobicContact CB-CZ 3.9Å; L484-F526 HydrophobicContact CD1-CE2 4.24Å; K485-F526 HydrophobicContact CG-CE1 3.65Å; K485-F526 HydrophobicContact CG-CZ 3.57Å; I492-F526 HydrophobicContact CB-CD1 3.73Å; I492-F526 HydrophobicContact CB-CE1 3.95Å; I492-F526 HydrophobicContact CB-CG 4.11Å; I492-F526 HydrophobicContact CB-CZ 4.46Å; I492-F526 HydrophobicContact CD1-CD1 4.01Å; I492-F526 HydrophobicContact CD1-CE1 3.39Å; I492-F526 HydrophobicContact CD1-CZ 3.9Å; I492-F526 HydrophobicContact CG1-CD1 4.49Å; I492-F526 HydrophobicContact CG1-CE1 4.27Å; I492-F526 HydrophobicContact CG2-CB 4.4Å; I492-F526 HydrophobicContact CG2-CD1 3.75Å; I492-F526 HydrophobicContact CG2-CD2 3.77Å; I492-F526 HydrophobicContact CG2-CE1 3.84Å; I492-F526 HydrophobicContact CG2-CE2 3.84Å; I492-F526 HydrophobicContact CG2-CG 3.72Å; I492-F526 HydrophobicContact CG2-CZ 3.88Å; I492-F526 WeakPolarHBondContact O-CA 2.93Å; Y494-F526 HydrophobicContact CD2-CD2 4.42Å; T520-F526 HydrophobicContact CG2-CB 3.86Å; T520-F526 HydrophobicContact CG2-CD2 3.72Å; T520-F526 HydrophobicContact CG2-CG 4.18Å; T520-F526 PolarHBondContact O-N 2.71Å; T520-F526 VanDerWaalsContact O-N 3.14Å; R521-F526 WeakPolarHBondContact CA-O 3.38Å; D524-F526 HydrophobicContact CB-CD1 4.25Å; D524-F526 HydrophobicContact CB-CD2 4.21Å; D524-F526 HydrophobicContact CB-CE1 4.32Å; D524-F526 HydrophobicContact CB-CE2 4.3Å; D524-F526 HydrophobicContact CB-CG 4.19Å; D524-F526 HydrophobicContact CB-CZ 4.36Å; D524-F526 WeakPolarHBondContact O-CD1 3.32Å; D524-F526 VanDerWaalsContact O-CE1 3.3Å; D524-F526 WeakPolarHBondContact O-CE1 3.41Å; D524-F526 PolarHBondContact O-N 2.79Å; F526-V528 PolarHBondContact O-N 3.16Å
527	D	92.6	Very high	90	Very high	50 Å²	50	46.8 Å²	46.8	27%	0.267	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	117	172.2	-75	-20.6	0	0	0	108.8	R491 I492 I493 Y494	R491-D527 IonicContact CZ-OD2 2.95Å; R491-D527 VanDerWaalsContact CZ-OD2 3.27Å; R491-D527 IonicContact NE-OD2 3.07Å; R491-D527 PolarHBondContact NE-OD2 3.26Å; R491-D527 IonicContact NH2-OD2 3.63Å; R491-D527 PolarHBondContact NH2-OD2 2.85Å; I492-D527 PolarHBondContact O-N 3.47Å; I493-D527 CarbonylContact C-O 3.51Å; I493-D527 VanDerWaalsContact CA-O 3.31Å; I493-D527 WeakPolarHBondContact CA-O 3.32Å; I493-D527 HydrophobicContact CG1-CB 4.23Å; I493-D527 HydrophobicContact CG2-CB 4.48Å; Y494-D527 PolarHBondContact N-O 3.03Å
528	V	92.7	Very high	90.2	Very high	9 Å²	9	46.6 Å²	46.6	6%	0.055	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	117.6	178.3	-179.1	0	0	0	0	109.4	Y494 V496 C517 T520 R521 F526	Y494-V528 WeakPolarHBondContact O-CA 3.38Å; V496-V528 HydrophobicContact CG2-CG1 4.24Å; C517-V528 HydrophobicContact CB-CG1 4.2Å; T520-V528 HydrophobicContact CG2-CG2 4.03Å; R521-V528 HydrophobicContact CB-CG2 3.98Å; R521-V528 PolarHBondContact NH2-O 3.49Å; F526-V528 PolarHBondContact O-N 3.16Å
529	V	93.4	Very high	90.4	Very high	33 Å²	33	51.2 Å²	51.2	20%	0.2	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	142	175.5	176.3	0	0	0	0	108.6	I493 Y494 L495 V496 T531 Y540	I493-V529 HydrophobicContact CG2-CB 4.3Å; I493-V529 HydrophobicContact CG2-CG2 3.79Å; Y494-V529 PolarHBondContact O-N 3.47Å; L495-V529 CarbonylContact C-O 3.59Å; L495-V529 WeakPolarHBondContact CA-O 3.4Å; V496-V529 PolarHBondContact N-O 2.92Å; V529-T531 HydrophobicContact CG1-CG2 4.45Å; V529-Y540 HydrophobicContact CG1-CD2 4.06Å; V529-Y540 HydrophobicContact CG1-CE1 4.41Å; V529-Y540 HydrophobicContact CG1-CE2 3.85Å; V529-Y540 HydrophobicContact CG1-CG 4.44Å; V529-Y540 HydrophobicContact CG2-CE2 4.13Å
530	K	92.2	Very high	90.8	Very high	126 Å²	126	50.6 Å²	50.6	55%	0.548	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131	-178.9	-70.9	-177.6	-176.2	179.9	0	108.7	V496	V496-K530 HydrophobicContact CB-CG 4.49Å; V496-K530 WeakPolarHBondContact O-CA 3.37Å
531	T	92.2	Very high	91	Very high	5 Å²	5	50.6 Å²	50.6	3%	0.031	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.3	175.3	61.3	0	0	0	0	109.9	L495 V496 E497 G498 C499 V529 E536 T537	L495-T531 HydrophobicContact CD1-CG2 4.28Å; L495-T531 HydrophobicContact CD2-CG2 4.24Å; L495-T531 HydrophobicContact CG-CG2 4.23Å; V496-T531 PolarHBondContact O-N 3.04Å; E497-T531 CarbonylContact C-O 3.53Å; E497-T531 WeakPolarHBondContact CA-O 3.47Å; G498-T531 PolarHBondContact N-O 3.32Å; C499-T531 PolarHBondContact N-O 3.44Å; C499-T531 PolarHBondContact SG-O 2.92Å; V529-T531 HydrophobicContact CG1-CG2 4.45Å; T531-E536 HydrophobicContact CG2-CB 4.49Å; T531-T537 PolarHBondContact OG1-OG1 3.45Å
532	A	87.3	Confident	91.2	Very high	18 Å²	18	46.3 Å²	46.3	15%	0.149	24%	0.243	C	C	.	.	S	Bend	trans	-69.5	-41.9	179.9	0	0	0	0	0	111.3	G498 V500 E536	G498-A532 VanDerWaalsContact CA-O 3.27Å; G498-A532 WeakPolarHBondContact CA-O 3.49Å; G498-A532 PolarHBondContact N-O 3.45Å; V500-A532 HydrophobicContact CG2-CB 3.56Å; A532-E536 HydrophobicContact CB-CG 4.43Å; A532-E536 WeakPolarHBondContact CB-OE1 3.36Å; A532-E536 WeakPolarHBondContact CB-OE2 3.38Å; A532-E536 PolarHBondContact N-OE2 2.89Å
533	N	86.4	Confident	91.4	Very high	68 Å²	68	46.5 Å²	46.5	36%	0.364	25%	0.251	S	S	.	.	S	Bend	trans	-157.6	179.2	-169.7	61	59.2	0	0	0	111.3	A535 E536 T537	N533-A535 VanDerWaalsContact C-N 3.31Å; N533-A535 PolarHBondContact O-N 2.88Å; N533-A535 WeakPolarHBondContact OD1-CA 3.18Å; N533-A535 VanDerWaalsContact OD1-CB 3.3Å; N533-A535 WeakPolarHBondContact OD1-CB 2.88Å; N533-A535 PolarHBondContact OD1-N 3Å; N533-E536 PolarHBondContact O-N 2.78Å; N533-E536 PolarHBondContact OD1-N 2.83Å; N533-E536 VanDerWaalsContact OD1-N 3.07Å; N533-T537 PolarHBondContact O-N 3.5Å; N533-T537 VanDerWaalsContact O-N 3.09Å; N533-T537 PolarHBondContact O-OG1 3.28Å; N533-T537 VanDerWaalsContact O-OG1 3.1Å
534	V	88.1	Confident	91.7	Very high	21 Å²	21	43.2 Å²	43.2	13%	0.127	23%	0.234	C	C	.	.	H	α-helix	trans	-61.9	-34	-179.6	171.7	0	0	0	0	112.9	M417 E497 T537 V538	M417-V534 HydrophobicContact CB-CG1 4.1Å; M417-V534 HydrophobicContact CE-CB 4.43Å; M417-V534 HydrophobicContact CE-CG1 3.73Å; M417-V534 HydrophobicContact CE-CG2 4.31Å; M417-V534 HydrophobicContact SD-CG1 3.98Å; E497-V534 WeakPolarHBondContact OE1-CG2 3.27Å; V534-T537 WeakPolarHBondContact O-CB 3.27Å; V534-T537 PolarHBondContact O-N 2.87Å; V534-V538 WeakPolarHBondContact O-CG2 3.35Å; V534-V538 PolarHBondContact O-N 3.34Å
535	A	90	Very high	92	Very high	51 Å²	51	42.3 Å²	42.3	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-66.9	-48.2	-179.8	0	0	0	0	0	110.8	N533 T537 V538 E539	N533-A535 VanDerWaalsContact C-N 3.31Å; N533-A535 PolarHBondContact O-N 2.88Å; N533-A535 WeakPolarHBondContact OD1-CA 3.18Å; N533-A535 VanDerWaalsContact OD1-CB 3.3Å; N533-A535 WeakPolarHBondContact OD1-CB 2.88Å; N533-A535 PolarHBondContact OD1-N 3Å; A535-T537 VanDerWaalsContact C-N 3.27Å; A535-T537 PolarHBondContact O-N 2.85Å; A535-V538 PolarHBondContact O-N 3.45Å; A535-E539 WeakPolarHBondContact O-CG 3.29Å; A535-E539 PolarHBondContact O-N 3.08Å
536	E	92.3	Very high	92.1	Very high	79 Å²	79	39.8 Å²	39.8	37%	0.369	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-35	173.4	-74.9	-175.8	-161.3	0	0	112.5	T531 A532 N533 V538 E539 Y540	T531-E536 HydrophobicContact CG2-CB 4.49Å; A532-E536 HydrophobicContact CB-CG 4.43Å; A532-E536 WeakPolarHBondContact CB-OE1 3.36Å; A532-E536 WeakPolarHBondContact CB-OE2 3.38Å; A532-E536 PolarHBondContact N-OE2 2.89Å; N533-E536 PolarHBondContact O-N 2.78Å; N533-E536 PolarHBondContact OD1-N 2.83Å; N533-E536 VanDerWaalsContact OD1-N 3.07Å; E536-V538 VanDerWaalsContact C-N 3.31Å; E536-V538 PolarHBondContact O-N 2.99Å; E536-E539 PolarHBondContact O-N 3.36Å; E536-Y540 VanDerWaalsContact O-CB 3.32Å; E536-Y540 WeakPolarHBondContact O-CB 3.3Å; E536-Y540 PolarHBondContact O-N 2.85Å
537	T	93	Very high	92	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-43.6	172.3	-61.4	0	0	0	0	110.9	M417 L495 E497 T531 N533 V534 A535 Y540 L541	M417-T537 HydrophobicContact CE-CG2 3.93Å; L495-T537 HydrophobicContact CD1-CG2 3.95Å; L495-T537 HydrophobicContact CD2-CG2 3.97Å; E497-T537 PolarHBondContact OE2-OG1 3.23Å; T531-T537 PolarHBondContact OG1-OG1 3.45Å; N533-T537 PolarHBondContact O-N 3.5Å; N533-T537 VanDerWaalsContact O-N 3.09Å; N533-T537 PolarHBondContact O-OG1 3.28Å; N533-T537 VanDerWaalsContact O-OG1 3.1Å; V534-T537 WeakPolarHBondContact O-CB 3.27Å; V534-T537 PolarHBondContact O-N 2.87Å; A535-T537 VanDerWaalsContact C-N 3.27Å; A535-T537 PolarHBondContact O-N 2.85Å; T537-Y540 PolarHBondContact O-N 2.75Å; T537-L541 HydrophobicContact CG2-CD1 4.42Å; T537-L541 VanDerWaalsContact O-CG 3.3Å; T537-L541 WeakPolarHBondContact O-CG 3.22Å; T537-L541 PolarHBondContact O-N 2.71Å
538	V	93.7	Very high	91.7	Very high	6 Å²	6	40.9 Å²	40.9	4%	0.036	22%	0.217	C	C	.	.	H	α-helix	trans	-69.8	-42.6	178	171.5	0	0	0	0	111.9	M417 A420 L421 A424 V534 A535 E536 Y540 L541 Q542	M417-V538 HydrophobicContact SD-CG2 3.64Å; A420-V538 HydrophobicContact CB-CB 4.28Å; A420-V538 HydrophobicContact CB-CG1 4.35Å; A420-V538 HydrophobicContact CB-CG2 3.75Å; L421-V538 HydrophobicContact CD2-CG1 4.24Å; L421-V538 HydrophobicContact CD2-CG2 4.11Å; L421-V538 HydrophobicContact CG-CG2 4.05Å; A424-V538 HydrophobicContact CB-CG1 3.68Å; V534-V538 WeakPolarHBondContact O-CG2 3.35Å; V534-V538 PolarHBondContact O-N 3.34Å; A535-V538 PolarHBondContact O-N 3.45Å; E536-V538 VanDerWaalsContact C-N 3.31Å; E536-V538 PolarHBondContact O-N 2.99Å; V538-Y540 VanDerWaalsContact C-N 3.26Å; V538-Y540 PolarHBondContact O-N 3Å; V538-L541 CarbonylContact O-C 3.57Å; V538-L541 WeakPolarHBondContact O-CB 2.88Å; V538-L541 PolarHBondContact O-N 3.28Å; V538-Q542 WeakPolarHBondContact O-CG 3.4Å; V538-Q542 PolarHBondContact O-N 2.86Å
539	E	93.8	Very high	91.3	Very high	115 Å²	115	46.3 Å²	46.3	54%	0.537	24%	0.236	S	C	.	.	H	α-helix	trans	-57.3	-41.6	173.5	-71.3	170.2	-165.1	0	0	111.4	A535 E536 Q542 A543	A535-E539 WeakPolarHBondContact O-CG 3.29Å; A535-E539 PolarHBondContact O-N 3.08Å; E536-E539 PolarHBondContact O-N 3.36Å; E539-Q542 WeakPolarHBondContact O-CB 3.34Å; E539-Q542 PolarHBondContact O-N 3.14Å; E539-A543 WeakPolarHBondContact O-CB 3.48Å; E539-A543 PolarHBondContact O-N 3Å
540	Y	95	Very high	90.8	Very high	49 Å²	49	53.8 Å²	53.8	19%	0.192	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-42.8	173.8	179	-98.4	0	0	0	112	I458 L495 V529 E536 T537 V538 A543 M544	I458-Y540 HydrophobicContact CD1-CE1 3.88Å; L495-Y540 HydrophobicContact CD1-CD1 3.74Å; L495-Y540 HydrophobicContact CD1-CE1 4.16Å; V529-Y540 HydrophobicContact CG1-CD2 4.06Å; V529-Y540 HydrophobicContact CG1-CE1 4.41Å; V529-Y540 HydrophobicContact CG1-CE2 3.85Å; V529-Y540 HydrophobicContact CG1-CG 4.44Å; V529-Y540 HydrophobicContact CG2-CE2 4.13Å; E536-Y540 VanDerWaalsContact O-CB 3.32Å; E536-Y540 WeakPolarHBondContact O-CB 3.3Å; E536-Y540 PolarHBondContact O-N 2.85Å; T537-Y540 PolarHBondContact O-N 2.75Å; V538-Y540 VanDerWaalsContact C-N 3.26Å; V538-Y540 PolarHBondContact O-N 3Å; Y540-A543 PolarHBondContact O-N 3.44Å; Y540-M544 HydrophobicContact CD1-CG 4.09Å; Y540-M544 HydrophobicContact CD2-CG 4.38Å; Y540-M544 HydrophobicContact CE1-CG 3.59Å; Y540-M544 HydrophobicContact CE1-SD 4.49Å; Y540-M544 HydrophobicContact CE2-CG 3.92Å; Y540-M544 HydrophobicContact CE2-SD 4.31Å; Y540-M544 HydrophobicContact CG-CG 4.45Å; Y540-M544 VanDerWaalsContact CZ-CG 3.48Å; Y540-M544 VanDerWaalsContact O-CB 3.26Å; Y540-M544 WeakPolarHBondContact O-CB 3.3Å; Y540-M544 VanDerWaalsContact O-CG 3.24Å; Y540-M544 WeakPolarHBondContact O-CG 3.37Å; Y540-M544 PolarHBondContact O-N 2.7Å
541	L	95.3	Very high	90.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-37	176	-68.4	172.3	0	0	0	112.3	L389 L421 I426 Y438 W440 I458 T537 V538 T545	L389-L541 HydrophobicContact CD2-CB 4.4Å; L389-L541 HydrophobicContact CD2-CD1 4.48Å; L421-L541 HydrophobicContact CD2-CD1 4.14Å; I426-L541 HydrophobicContact CD1-CB 4.29Å; Y438-L541 HydrophobicContact CD1-CD1 3.96Å; Y438-L541 HydrophobicContact CD1-CD2 4.38Å; Y438-L541 HydrophobicContact CD2-CD1 4.5Å; Y438-L541 HydrophobicContact CD2-CD2 4.17Å; Y438-L541 HydrophobicContact CE1-CD1 3.76Å; Y438-L541 HydrophobicContact CE2-CD1 4.31Å; Y438-L541 HydrophobicContact CG-CD1 4.33Å; Y438-L541 HydrophobicContact CG-CD2 4.02Å; W440-L541 HydrophobicContact CH2-CD2 4.21Å; W440-L541 HydrophobicContact CZ2-CD2 4.35Å; I458-L541 HydrophobicContact CD1-CD2 3.81Å; T537-L541 HydrophobicContact CG2-CD1 4.42Å; T537-L541 VanDerWaalsContact O-CG 3.3Å; T537-L541 WeakPolarHBondContact O-CG 3.22Å; T537-L541 PolarHBondContact O-N 2.71Å; V538-L541 CarbonylContact O-C 3.57Å; V538-L541 WeakPolarHBondContact O-CB 2.88Å; V538-L541 PolarHBondContact O-N 3.28Å; L541-T545 WeakPolarHBondContact O-CB 3.27Å; L541-T545 PolarHBondContact O-N 3.25Å; L541-T545 PolarHBondContact O-OG1 2.88Å
542	Q	94.2	Very high	89.2	Confident	58 Å²	58	54.4 Å²	54.4	27%	0.271	26%	0.264	S	S	.	.	H	α-helix	trans	-60.2	-57.9	172.5	-73.1	-178.9	-53	0	0	110.4	A424 I426 V538 E539 M544 T545 D546	A424-Q542 HydrophobicContact CB-CG 3.77Å; I426-Q542 HydrophobicContact CD1-CB 4.03Å; I426-Q542 HydrophobicContact CD1-CG 3.4Å; I426-Q542 VanDerWaalsContact CD1-CG 3.4Å; I426-Q542 HydrophobicContact CG1-CB 4.25Å; I426-Q542 HydrophobicContact CG1-CG 3.53Å; V538-Q542 WeakPolarHBondContact O-CG 3.4Å; V538-Q542 PolarHBondContact O-N 2.86Å; E539-Q542 WeakPolarHBondContact O-CB 3.34Å; E539-Q542 PolarHBondContact O-N 3.14Å; Q542-M544 VanDerWaalsContact C-N 3.27Å; Q542-M544 PolarHBondContact O-N 3.32Å; Q542-T545 WeakPolarHBondContact O-CB 3.46Å; Q542-T545 PolarHBondContact O-N 2.96Å; Q542-D546 PolarHBondContact O-N 3.16Å
543	A	93.6	Very high	87.9	Confident	59 Å²	59	57.3 Å²	57.3	49%	0.488	28%	0.28	S	S	.	.	H	α-helix	trans	-58.4	-39.8	-178.7	0	0	0	0	0	112	E539 Y540 Y547	E539-A543 WeakPolarHBondContact O-CB 3.48Å; E539-A543 PolarHBondContact O-N 3Å; Y540-A543 PolarHBondContact O-N 3.44Å; A543-Y547 WeakPolarHBondContact O-CB 3.02Å; A543-Y547 PolarHBondContact O-N 3.26Å
544	M	93.1	Very high	86.7	Confident	15 Å²	15	55.3 Å²	55.3	7%	0.074	27%	0.269	C	S	.	.	H	α-helix	trans	-64.5	-41.8	174.2	-79.7	-64.4	-62.5	0	0	112.3	W440 V456 I493 Y540 Q542 Y547 I548	W440-M544 HydrophobicContact CH2-CB 3.87Å; W440-M544 HydrophobicContact CH2-CE 4.46Å; W440-M544 HydrophobicContact CZ2-CB 3.76Å; V456-M544 HydrophobicContact CG1-CE 4.02Å; I493-M544 HydrophobicContact CD1-CE 3.72Å; Y540-M544 HydrophobicContact CD1-CG 4.09Å; Y540-M544 HydrophobicContact CD2-CG 4.38Å; Y540-M544 HydrophobicContact CE1-CG 3.59Å; Y540-M544 HydrophobicContact CE1-SD 4.49Å; Y540-M544 HydrophobicContact CE2-CG 3.92Å; Y540-M544 HydrophobicContact CE2-SD 4.31Å; Y540-M544 HydrophobicContact CG-CG 4.45Å; Y540-M544 VanDerWaalsContact CZ-CG 3.48Å; Y540-M544 VanDerWaalsContact O-CB 3.26Å; Y540-M544 WeakPolarHBondContact O-CB 3.3Å; Y540-M544 VanDerWaalsContact O-CG 3.24Å; Y540-M544 WeakPolarHBondContact O-CG 3.37Å; Y540-M544 PolarHBondContact O-N 2.7Å; Q542-M544 VanDerWaalsContact C-N 3.27Å; Q542-M544 PolarHBondContact O-N 3.32Å; M544-Y547 PolarHBondContact O-N 2.74Å; M544-I548 HydrophobicContact CE-CD1 4.36Å; M544-I548 WeakPolarHBondContact O-CB 3.15Å; M544-I548 WeakPolarHBondContact O-CG1 3.47Å; M544-I548 PolarHBondContact O-N 3.4Å
545	T	92.4	Very high	85	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.012	28%	0.283	C	S	.	.	H	α-helix	trans	-63.2	-44.9	177.8	-57.6	0	0	0	0	111	L387 I426 W440 L541 Q542 I548 R549	L387-T545 HydrophobicContact CD2-CG2 3.96Å; I426-T545 HydrophobicContact CG2-CG2 4.14Å; W440-T545 PolarHBondContact NE1-OG1 2.94Å; L541-T545 WeakPolarHBondContact O-CB 3.27Å; L541-T545 PolarHBondContact O-N 3.25Å; L541-T545 PolarHBondContact O-OG1 2.88Å; Q542-T545 WeakPolarHBondContact O-CB 3.46Å; Q542-T545 PolarHBondContact O-N 2.96Å; T545-I548 PolarHBondContact O-N 3.34Å; T545-R549 WeakPolarHBondContact O-CB 3.24Å; T545-R549 PolarHBondContact O-N 2.95Å
546	D	90.6	Very high	83.5	Confident	68 Å²	68	55.2 Å²	55.2	36%	0.364	26%	0.264	S	S	.	.	H	α-helix	trans	-68	-37.5	178.2	-67.6	-24.6	0	0	0	112.3	Q542 R549 R550	Q542-D546 PolarHBondContact O-N 3.16Å; D546-R549 PolarHBondContact O-N 2.86Å; D546-R549 IonicContact OD1-CZ 2.73Å; D546-R549 IonicContact OD1-NH1 3.51Å; D546-R549 PolarHBondContact OD1-NH1 3.37Å; D546-R549 IonicContact OD1-NH2 2.68Å; D546-R550 WeakPolarHBondContact O-CB 3.26Å; D546-R550 WeakPolarHBondContact O-CG 3.43Å; D546-R550 PolarHBondContact O-N 3.37Å
547	Y	90	Very high	81.8	Confident	69 Å²	69	52.8 Å²	52.8	27%	0.271	25%	0.252	S	S	.	.	H	α-helix	trans	-61.9	-48.4	173	172.7	-90.6	0	0	0	111.6	F339 A543 M544 R549 R550 K551	F339-Y547 AromaticContact CE2-CE2 3.91Å; F339-Y547 HydrophobicContact CE2-CE2 3.91Å; F339-Y547 WeakPolarHBondContact CE2-OH 3.25Å; F339-Y547 AromaticContact CZ-CE2 3.71Å; F339-Y547 HydrophobicContact CZ-CE2 3.71Å; F339-Y547 AromaticContact CZ-CZ 3.56Å; F339-Y547 WeakPolarHBondContact CZ-OH 3.31Å; A543-Y547 WeakPolarHBondContact O-CB 3.02Å; A543-Y547 PolarHBondContact O-N 3.26Å; M544-Y547 PolarHBondContact O-N 2.74Å; Y547-R549 VanDerWaalsContact C-N 3.34Å; Y547-R549 PolarHBondContact O-N 2.7Å; Y547-R550 PolarHBondContact O-N 3.02Å; Y547-K551 HydrophobicContact CD1-CG 4.43Å; Y547-K551 HydrophobicContact CD2-CG 4.27Å; Y547-K551 HydrophobicContact CE1-CG 4.13Å; Y547-K551 HydrophobicContact CE2-CG 3.99Å; Y547-K551 WeakPolarHBondContact O-CB 3.19Å; Y547-K551 VanDerWaalsContact O-CG 3.32Å; Y547-K551 WeakPolarHBondContact O-CG 3.21Å; Y547-K551 PolarHBondContact O-N 3.31Å
548	I	86.5	Confident	80	Confident	8 Å²	8	52.8 Å²	52.8	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-60.9	-46.8	177	-70.2	166.4	0	0	0	109.3	L387 W440 V454 V456 M544 T545 R550 K551 L552	L387-I548 HydrophobicContact CD1-CG2 4Å; L387-I548 HydrophobicContact CD2-CB 4.11Å; L387-I548 HydrophobicContact CD2-CG2 3.69Å; W440-I548 HydrophobicContact CD2-CD1 3.43Å; W440-I548 VanDerWaalsContact CD2-CD1 3.43Å; W440-I548 HydrophobicContact CE3-CD1 3.62Å; W440-I548 HydrophobicContact CG-CD1 3.86Å; W440-I548 HydrophobicContact CH2-CD1 4.24Å; W440-I548 HydrophobicContact CZ2-CD1 4.09Å; W440-I548 HydrophobicContact CZ3-CD1 4.03Å; V454-I548 HydrophobicContact CG1-CG2 4.05Å; V456-I548 HydrophobicContact CB-CD1 4.39Å; V456-I548 HydrophobicContact CG2-CD1 4.3Å; M544-I548 HydrophobicContact CE-CD1 4.36Å; M544-I548 WeakPolarHBondContact O-CB 3.15Å; M544-I548 WeakPolarHBondContact O-CG1 3.47Å; M544-I548 PolarHBondContact O-N 3.4Å; T545-I548 PolarHBondContact O-N 3.34Å; I548-R550 VanDerWaalsContact C-N 3.29Å; I548-R550 PolarHBondContact O-N 3.45Å; I548-K551 PolarHBondContact O-N 3.03Å; I548-K551 VanDerWaalsContact O-N 3.11Å; I548-L552 HydrophobicContact CG2-CD1 3.43Å; I548-L552 VanDerWaalsContact CG2-CD1 3.43Å; I548-L552 HydrophobicContact CG2-CG 3.79Å; I548-L552 WeakPolarHBondContact O-CB 3.36Å; I548-L552 WeakPolarHBondContact O-CG 3.44Å; I548-L552 PolarHBondContact O-N 3.12Å
549	R	85	Confident	77.7	Confident	122 Å²	122	53.8 Å²	53.8	46%	0.46	26%	0.259	S	S	.	.	H	α-helix	trans	-55.8	-42.1	177.7	-169.2	-176.2	-63	128.6	2.3	112.4	L387 T545 D546 Y547	L387-R549 HydrophobicContact CD2-CB 4.1Å; T545-R549 WeakPolarHBondContact O-CB 3.24Å; T545-R549 PolarHBondContact O-N 2.95Å; D546-R549 PolarHBondContact O-N 2.86Å; D546-R549 IonicContact OD1-CZ 2.73Å; D546-R549 IonicContact OD1-NH1 3.51Å; D546-R549 PolarHBondContact OD1-NH1 3.37Å; D546-R549 IonicContact OD1-NH2 2.68Å; Y547-R549 VanDerWaalsContact C-N 3.34Å; Y547-R549 PolarHBondContact O-N 2.7Å
550	R	83	Confident	75.1	Confident	190 Å²	190	49.6 Å²	49.6	72%	0.717	24%	0.241	S	C	*	.	H	α-helix	trans	-72.3	-32.6	177.3	-73.6	-174.4	-67.2	173.9	-1.9	113.6	D546 Y547 I548	D546-R550 WeakPolarHBondContact O-CB 3.26Å; D546-R550 WeakPolarHBondContact O-CG 3.43Å; D546-R550 PolarHBondContact O-N 3.37Å; Y547-R550 PolarHBondContact O-N 3.02Å; I548-R550 VanDerWaalsContact C-N 3.29Å; I548-R550 PolarHBondContact O-N 3.45Å
551	K	78.3	Confident	72.6	Confident	111 Å²	111	49.7 Å²	49.7	48%	0.483	25%	0.245	S	C	.	.	H	α-helix	trans	-91.4	-17.6	-175.4	-68.1	-71.9	170.7	171	0	113.8	F339 Y547 I548 V553	F339-K551 HydrophobicContact CE1-CD 3.98Å; F339-K551 HydrophobicContact CZ-CD 3.66Å; F339-K551 HydrophobicContact CZ-CG 4.28Å; F339-K551 VanDerWaalsContact CZ-NZ 3.29Å; Y547-K551 HydrophobicContact CD1-CG 4.43Å; Y547-K551 HydrophobicContact CD2-CG 4.27Å; Y547-K551 HydrophobicContact CE1-CG 4.13Å; Y547-K551 HydrophobicContact CE2-CG 3.99Å; Y547-K551 WeakPolarHBondContact O-CB 3.19Å; Y547-K551 VanDerWaalsContact O-CG 3.32Å; Y547-K551 WeakPolarHBondContact O-CG 3.21Å; Y547-K551 PolarHBondContact O-N 3.31Å; I548-K551 PolarHBondContact O-N 3.03Å; I548-K551 VanDerWaalsContact O-N 3.11Å; K551-V553 PolarHBondContact O-N 3.34Å
552	L	71.5	Confident	70	Confident	33 Å²	33	55.9 Å²	55.9	17%	0.173	28%	0.283	C	S	.	.			trans	-71.1	79.4	170.7	-75.1	172.6	0	0	0	109.7	L387 L442 V454 I548 L554 I556	L387-L552 HydrophobicContact CD1-CD1 3.86Å; L387-L552 HydrophobicContact CD2-CD1 4.37Å; L442-L552 HydrophobicContact CD1-CD1 4.17Å; L442-L552 HydrophobicContact CD1-CD2 4.36Å; L442-L552 HydrophobicContact CD2-CD1 4.15Å; L442-L552 HydrophobicContact CG-CD1 4.4Å; V454-L552 HydrophobicContact CG2-CD1 4.45Å; I548-L552 HydrophobicContact CG2-CD1 3.43Å; I548-L552 VanDerWaalsContact CG2-CD1 3.43Å; I548-L552 HydrophobicContact CG2-CG 3.79Å; I548-L552 WeakPolarHBondContact O-CB 3.36Å; I548-L552 WeakPolarHBondContact O-CG 3.44Å; I548-L552 PolarHBondContact O-N 3.12Å; L552-L554 PolarHBondContact O-N 3.24Å; L552-I556 HydrophobicContact CD2-CD1 4.01Å
553	V	61	Low	67.3	Low	79 Å²	79	59.3 Å²	59.3	48%	0.479	30%	0.303	S	S	.	.			trans	-85.5	99	166.9	-170.6	0	0	0	0	106.8	F343 K551	F343-V553 HydrophobicContact CE1-CB 4.15Å; F343-V553 HydrophobicContact CE1-CG1 3.84Å; F343-V553 HydrophobicContact CE1-CG2 4.49Å; F343-V553 HydrophobicContact CE2-CB 3.7Å; F343-V553 HydrophobicContact CE2-CG1 4.22Å; F343-V553 HydrophobicContact CE2-CG2 4.21Å; F343-V553 HydrophobicContact CZ-CB 3.33Å; F343-V553 HydrophobicContact CZ-CG1 3.33Å; F343-V553 HydrophobicContact CZ-CG2 4Å; K551-V553 PolarHBondContact O-N 3.34Å
554	L	60.8	Low	64.7	Low	26 Å²	26	59.4 Å²	59.4	14%	0.136	31%	0.309	C	S	.	.	S	Bend	trans	-67.6	139.7	170.1	-74.4	164.6	0	0	0	108.4	M380 N382 L552 I556	M380-L554 HydrophobicContact CB-CD2 4.03Å; M380-L554 HydrophobicContact CE-CD2 4.03Å; N382-L554 HydrophobicContact CB-CB 4.1Å; N382-L554 HydrophobicContact CB-CD1 3.51Å; N382-L554 HydrophobicContact CB-CG 4.37Å; N382-L554 WeakPolarHBondContact OD1-CD1 3.41Å; L552-L554 PolarHBondContact O-N 3.24Å; L554-I556 HydrophobicContact CD2-CB 3.56Å; L554-I556 HydrophobicContact CD2-CD1 3.51Å; L554-I556 HydrophobicContact CD2-CG1 3.51Å; L554-I556 HydrophobicContact CG-CD1 4.39Å
555	P	51.6	Low	62.1	Low	64 Å²	64	65.1 Å²	65.1	42%	0.416	34%	0.341	S	S	.	.			cis	-98.7	132.3	42.1	31.2	-33.5	0	0	0	117.1	V379	V379-P555 HydrophobicContact CB-CB 4.21Å; V379-P555 HydrophobicContact CG1-CB 3.03Å; V379-P555 HydrophobicContact CG1-CG 4.37Å; V379-P555 HydrophobicContact CG2-CB 4.18Å
556	I	59.2	Low	59.5	Low	7 Å²	7	65.2 Å²	65.2	4%	0.036	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	137.6	172	-70.8	164.6	0	0	0	109.7	V379 M380 L442 L552 L554 H581 M583	V379-I556 WeakPolarHBondContact CA-O 3.39Å; M380-I556 HydrophobicContact CE-CB 3.66Å; M380-I556 HydrophobicContact CE-CD1 4.3Å; M380-I556 HydrophobicContact CE-CG2 3.69Å; M380-I556 PolarHBondContact N-O 3.05Å; L442-I556 HydrophobicContact CD1-CD1 4.04Å; L552-I556 HydrophobicContact CD2-CD1 4.01Å; L554-I556 HydrophobicContact CD2-CB 3.56Å; L554-I556 HydrophobicContact CD2-CD1 3.51Å; L554-I556 HydrophobicContact CD2-CG1 3.51Å; L554-I556 HydrophobicContact CG-CD1 4.39Å; I556-H581 HydrophobicContact CG1-CB 4.47Å; I556-H581 WeakPolarHBondContact CG2-O 3.45Å; I556-M583 HydrophobicContact CB-CE 4.22Å; I556-M583 HydrophobicContact CD1-CE 3.59Å; I556-M583 HydrophobicContact CD1-SD 3.91Å; I556-M583 HydrophobicContact CG1-CE 4.43Å; I556-M583 HydrophobicContact CG2-CB 4.36Å; I556-M583 HydrophobicContact CG2-CE 3.51Å; I556-M583 HydrophobicContact CG2-CG 3.9Å; I556-M583 HydrophobicContact CG2-SD 4.29Å
557	W	57.4	Low	57.2	Low	28 Å²	28	66.8 Å²	66.8	11%	0.106	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	137.4	179.1	-173.9	68.7	0	0	0	112.1	H377 R378 C559 F568 E569 M580 H581 C582	H377-W557 AromaticContact ND1-NE1 3.8Å; R378-W557 CarbonylContact O-C 3.59Å; R378-W557 VanDerWaalsContact O-CA 3.27Å; R378-W557 WeakPolarHBondContact O-CA 3.5Å; W557-C559 HydrophobicContact CE3-CB 4.31Å; W557-C559 HydrophobicContact CH2-CB 3.23Å; W557-C559 WeakPolarHBondContact CH2-SG 3.37Å; W557-C559 HydrophobicContact CZ2-CB 3.66Å; W557-C559 VanDerWaalsContact CZ2-SG 3.59Å; W557-C559 HydrophobicContact CZ3-CB 3.58Å; W557-F568 HydrophobicContact CE3-CD1 4.44Å; W557-F568 HydrophobicContact CZ3-CB 4.5Å; W557-F568 HydrophobicContact CZ3-CD1 4.13Å; W557-E569 VanDerWaalsContact CH2-O 3.26Å; W557-E569 WeakPolarHBondContact CH2-O 3.36Å; W557-E569 VanDerWaalsContact CZ3-O 3.32Å; W557-E569 WeakPolarHBondContact CZ3-O 3.47Å; W557-M580 HydrophobicContact CB-CE 4.14Å; W557-H581 PolarHBondContact N-O 3.49Å; W557-C582 HydrophobicContact CE3-CB 4.35Å
558	V	54.1	Low	55.3	Low	0 Å²	0	65.2 Å²	65.2	0%	0	35%	0.349	C	S	.	.			trans	-125.2	111.8	170.9	170.5	0	0	0	0	107.7	L365 R378 M380 F452 T560	L365-V558 HydrophobicContact CD1-CB 4.01Å; L365-V558 HydrophobicContact CD1-CG1 3.62Å; L365-V558 HydrophobicContact CD2-CB 3.67Å; L365-V558 HydrophobicContact CD2-CG1 4.04Å; L365-V558 HydrophobicContact CD2-CG2 3.86Å; L365-V558 HydrophobicContact CG-CG1 4.49Å; R378-V558 VanDerWaalsContact CB-O 3.29Å; R378-V558 WeakPolarHBondContact CB-O 3.5Å; R378-V558 PolarHBondContact O-N 3.09Å; M380-V558 HydrophobicContact CE-CG2 4.33Å; M380-V558 HydrophobicContact CG-CG2 3.4Å; M380-V558 HydrophobicContact SD-CG2 3.63Å; F452-V558 HydrophobicContact CD1-CG2 4.02Å; F452-V558 HydrophobicContact CD2-CG2 4.15Å; F452-V558 HydrophobicContact CE1-CB 4.1Å; F452-V558 HydrophobicContact CE1-CG1 3.5Å; F452-V558 HydrophobicContact CE1-CG2 3.55Å; F452-V558 HydrophobicContact CE2-CG1 4.21Å; F452-V558 HydrophobicContact CE2-CG2 3.69Å; F452-V558 HydrophobicContact CG-CG2 4.32Å; F452-V558 HydrophobicContact CZ-CB 3.96Å; F452-V558 HydrophobicContact CZ-CG1 3.24Å; F452-V558 HydrophobicContact CZ-CG2 3.4Å; V558-T560 PolarHBondContact O-N 3.29Å
559	C	46.3	Very low	53.6	Low	26 Å²	26	70 Å²	70	18%	0.176	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-65.5	127.8	167.2	-152.9	0	0	0	0	108.6	W557 F568	W557-C559 HydrophobicContact CE3-CB 4.31Å; W557-C559 HydrophobicContact CH2-CB 3.23Å; W557-C559 WeakPolarHBondContact CH2-SG 3.37Å; W557-C559 HydrophobicContact CZ2-CB 3.66Å; W557-C559 VanDerWaalsContact CZ2-SG 3.59Å; W557-C559 HydrophobicContact CZ3-CB 3.58Å; C559-F568 HydrophobicContact CB-CD1 3.93Å; C559-F568 HydrophobicContact CB-CE1 4.33Å; C559-F568 HydrophobicContact CB-CG 4.47Å
560	T	38.4	Very low	52.3	Low	28 Å²	28	70.1 Å²	70.1	17%	0.172	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-95.7	124.6	162.3	52.2	0	0	0	0	108.5	L365 R378 V558 T562	L365-T560 HydrophobicContact CD1-CG2 3.53Å; R378-T560 VanDerWaalsContact CD-OG1 3.22Å; R378-T560 WeakPolarHBondContact CD-OG1 3.2Å; R378-T560 PolarHBondContact NE-OG1 3.17Å; R378-T560 VanDerWaalsContact NH1-CG2 3.27Å; R378-T560 PolarHBondContact NH1-OG1 2.76Å; V558-T560 PolarHBondContact O-N 3.29Å; T560-T562 PolarHBondContact O-N 3.09Å
561	D	43.4	Very low	51	Low	51 Å²	51	62 Å²	62	27%	0.273	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-48.8	119	174.6	-42.5	5.4	0	0	0	109.4	G564 D565 G566 R585	D561-G564 VanDerWaalsContact CB-N 3.34Å; D561-D565 PolarHBondContact OD2-N 3.21Å; D561-G566 WeakPolarHBondContact OD1-CA 3.35Å; D561-G566 PolarHBondContact OD1-N 3.49Å; D561-G566 WeakPolarHBondContact OD2-CA 3.49Å; D561-G566 PolarHBondContact OD2-N 2.91Å; D561-R585 IonicContact OD1-NH2 2.7Å
562	T	39.4	Very low	50.3	Low	130 Å²	130	64.3 Å²	64.3	80%	0.798	36%	0.358	S	S	*	.	S	Bend	trans	-71.2	-15.2	157.5	42.4	0	0	0	0	111.1	T560	T560-T562 PolarHBondContact O-N 3.09Å
563	D	38.8	Very low	49.9	Very low	130 Å²	130	67.2 Å²	67.2	70%	0.695	37%	0.371	S	S	*	.	S	Bend	trans	-137.2	18.3	-166.4	-56.1	-68.2	0	0	0	114.8	D565	D563-D565 PolarHBondContact O-N 2.97Å
564	G	38.8	Very low	50.3	Low	60 Å²	60	72.6 Å²	72.6	62%	0.619	38%	0.383	S	S	*	.	S	Bend	trans	67.7	-1.6	179.7	0	0	0	0	0	116.9	D561	D561-G564 VanDerWaalsContact CB-N 3.34Å
565	D	37.9	Very low	50.6	Low	136 Å²	136	72.1 Å²	72.1	73%	0.727	38%	0.381	S	S	*	.	S	Bend	trans	-107.1	1.8	-176.7	-87.4	-9.1	0	0	0	114.9	D561 D563 T567 Q588	D561-D565 PolarHBondContact OD2-N 3.21Å; D563-D565 PolarHBondContact O-N 2.97Å; D565-T567 VanDerWaalsContact C-N 3.34Å; D565-T567 PolarHBondContact O-N 3.23Å; D565-T567 VanDerWaalsContact O-N 3.12Å; D565-Q588 PolarHBondContact O-NE2 2.83Å
566	G	37.9	Very low	51.2	Low	4 Å²	4	69.1 Å²	69.1	4%	0.041	36%	0.362	C	S	.	.			trans	38.4	54.5	172.4	0	0	0	0	0	116.3	D561 F568 Q588	D561-G566 WeakPolarHBondContact OD1-CA 3.35Å; D561-G566 PolarHBondContact OD1-N 3.49Å; D561-G566 WeakPolarHBondContact OD2-CA 3.49Å; D561-G566 PolarHBondContact OD2-N 2.91Å; G566-F568 PolarHBondContact O-N 3.36Å; G566-F568 VanDerWaalsContact O-N 3.14Å; G566-Q588 VanDerWaalsContact CA-NE2 3.32Å; G566-Q588 PolarHBondContact O-NE2 3.35Å; G566-Q588 PolarHBondContact O-OE1 3.48Å
567	T	41.4	Very low	51.4	Low	101 Å²	101	74.8 Å²	74.8	62%	0.62	38%	0.383	S	S	*	.			trans	-71.7	104.7	165.4	41.2	0	0	0	0	108.6	D565 E569	D565-T567 VanDerWaalsContact C-N 3.34Å; D565-T567 PolarHBondContact O-N 3.23Å; D565-T567 VanDerWaalsContact O-N 3.12Å; T567-E569 VanDerWaalsContact C-N 3.26Å; T567-E569 PolarHBondContact O-N 3.45Å
568	F	51.2	Low	51.5	Low	36 Å²	36	80.7 Å²	80.7	16%	0.158	41%	0.409	C	S	.	.			trans	-65.4	89.1	163.2	-68	-89.6	0	0	0	108.1	F452 W557 C559 G566 E570 M583 R585	F452-F568 HydrophobicContact CD1-CZ 4.29Å; F452-F568 HydrophobicContact CE1-CE1 4.39Å; F452-F568 HydrophobicContact CE1-CZ 4.06Å; W557-F568 HydrophobicContact CE3-CD1 4.44Å; W557-F568 HydrophobicContact CZ3-CB 4.5Å; W557-F568 HydrophobicContact CZ3-CD1 4.13Å; C559-F568 HydrophobicContact CB-CD1 3.93Å; C559-F568 HydrophobicContact CB-CE1 4.33Å; C559-F568 HydrophobicContact CB-CG 4.47Å; G566-F568 PolarHBondContact O-N 3.36Å; G566-F568 VanDerWaalsContact O-N 3.14Å; F568-E570 PolarHBondContact O-N 2.93Å; F568-M583 WeakPolarHBondContact CD1-O 3.4Å; F568-M583 WeakPolarHBondContact CE1-O 3.38Å; F568-M583 WeakPolarHBondContact CZ-O 3.3Å; F568-R585 HydrophobicContact CE2-CB 4.28Å; F568-R585 HydrophobicContact CE2-CG 3.89Å; F568-R585 HydrophobicContact CZ-CB 4.41Å; F568-R585 HydrophobicContact CZ-CG 3.7Å
569	E	51.2	Low	51.4	Low	109 Å²	109	83.9 Å²	83.9	51%	0.509	43%	0.426	S	S	.	.	P	Polyproline II helix	trans	-70.9	121.8	165.7	-72	-165.7	171.5	0	0	108	W557 T567 K572	W557-E569 VanDerWaalsContact CH2-O 3.26Å; W557-E569 WeakPolarHBondContact CH2-O 3.36Å; W557-E569 VanDerWaalsContact CZ3-O 3.32Å; W557-E569 WeakPolarHBondContact CZ3-O 3.47Å; T567-E569 VanDerWaalsContact C-N 3.26Å; T567-E569 PolarHBondContact O-N 3.45Å; E569-K572 WeakPolarHBondContact OE2-CE 3.49Å; E569-K572 IonicContact OE2-NZ 2.87Å; E569-K572 PolarHBondContact OE2-NZ 2.96Å
570	E	56.4	Low	52	Low	124 Å²	124	84 Å²	84	58%	0.579	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-52.2	141.5	168.1	-74.6	-175.7	-178.6	0	0	109.2	F568 K572 R577	F568-E570 PolarHBondContact O-N 2.93Å; E570-K572 PolarHBondContact O-N 2.84Å; E570-R577 IonicContact OE2-CZ 3.95Å; E570-R577 IonicContact OE2-NH1 3.5Å; E570-R577 PolarHBondContact OE2-NH1 3.04Å
571	P	56.1	Low	53.1	Low	19 Å²	19	86.6 Å²	86.6	12%	0.123	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-52.1	121.4	-179.6	-23.4	29.5	0	0	0	110.7	H573 C576 R577	P571-H573 PolarHBondContact O-N 2.77Å; P571-H573 VanDerWaalsContact O-N 3.15Å; P571-C576 HydrophobicContact CB-CB 3.34Å; P571-C576 HydrophobicContact CG-CB 4.06Å; P571-R577 HydrophobicContact CB-CG 4.07Å; P571-R577 HydrophobicContact CG-CG 4.27Å; P571-R577 WeakPolarHBondContact O-CG 3.33Å; P571-R577 PolarHBondContact O-NE 2.87Å; P571-R577 PolarHBondContact O-NH2 2.95Å
572	K	63	Low	54.1	Low	159 Å²	159	85.9 Å²	85.9	69%	0.691	43%	0.433	S	S	*	.	S	Bend	trans	-56.4	-36.5	-176.3	-68.4	178.7	-178.8	170.9	0	111.2	E569 E570	E569-K572 WeakPolarHBondContact OE2-CE 3.49Å; E569-K572 IonicContact OE2-NZ 2.87Å; E569-K572 PolarHBondContact OE2-NZ 2.96Å; E570-K572 PolarHBondContact O-N 2.84Å
573	H	64.6	Low	55.5	Low	94 Å²	94	79.8 Å²	79.8	44%	0.435	40%	0.395	S	S	.	.	S	Bend	trans	-87.9	139.7	-178.5	-60.2	-78.7	0	0	0	113.7	C375 P571 C575 C576 R577	C375-H573 VanDerWaalsContact SG-CD2 3.57Å; P571-H573 PolarHBondContact O-N 2.77Å; P571-H573 VanDerWaalsContact O-N 3.15Å; H573-C575 VanDerWaalsContact C-N 3.27Å; H573-C575 VanDerWaalsContact CB-SG 3.54Å; H573-C575 PolarHBondContact O-N 2.89Å; H573-C576 PolarHBondContact O-N 3.48Å; H573-R577 PolarHBondContact O-N 2.89Å
574	R	67.8	Low	57.2	Low	192 Å²	192	76.6 Å²	76.6	73%	0.725	38%	0.375	S	S	*	.	H	α-helix	trans	-61.6	-33.2	178.6	-161.5	-178.9	-156.9	-149.6	3.5	112.6	R577 K578	R574-R577 PolarHBondContact O-N 2.69Å; R574-K578 PolarHBondContact O-N 3.39Å
575	C	67.7	Low	59.2	Low	16 Å²	16	75.9 Å²	75.9	11%	0.108	35%	0.354	C	S	.	.	H	α-helix	trans	-59.8	-50.9	177.5	57.4	0	0	0	0	111.8	E372 H573 R577 K578 L579	E372-C575 HydrophobicContact CB-CB 3.87Å; E372-C575 HydrophobicContact CG-CB 4.35Å; E372-C575 WeakPolarHBondContact OE2-CB 3.43Å; H573-C575 VanDerWaalsContact C-N 3.27Å; H573-C575 VanDerWaalsContact CB-SG 3.54Å; H573-C575 PolarHBondContact O-N 2.89Å; C575-R577 VanDerWaalsContact C-N 3.31Å; C575-R577 PolarHBondContact O-N 3.1Å; C575-K578 PolarHBondContact O-N 3.11Å; C575-K578 VanDerWaalsContact O-N 3.17Å; C575-L579 PolarHBondContact O-N 2.98Å
576	C	63.8	Low	61.6	Low	1 Å²	1	70.2 Å²	70.2	1%	0.007	32%	0.323	C	S	.	.	H	α-helix	trans	-61.5	-37	177.9	-54.6	0	0	0	0	112.5	C370 C373 H377 P571 H573 K578 L579 M580	C370-C576 VanDerWaalsContact SG-SG 3.68Å; C373-C576 PolarHBondContact SG-SG 3.27Å; H377-C576 VanDerWaalsContact CE1-SG 3.6Å; H377-C576 PolarHBondContact NE2-SG 2.83Å; P571-C576 HydrophobicContact CB-CB 3.34Å; P571-C576 HydrophobicContact CG-CB 4.06Å; H573-C576 PolarHBondContact O-N 3.48Å; C576-K578 VanDerWaalsContact C-N 3.32Å; C576-K578 PolarHBondContact O-N 3.28Å; C576-L579 PolarHBondContact O-N 3.29Å; C576-M580 WeakPolarHBondContact O-CB 3.5Å; C576-M580 PolarHBondContact O-N 2.86Å
577	R	64.8	Low	63.9	Low	126 Å²	126	76.7 Å²	76.7	48%	0.475	35%	0.352	S	S	.	.	H	α-helix	trans	-68.6	-26.6	178.1	-65.2	-169.7	-150.8	-159.4	10.7	113.8	E570 P571 H573 R574 C575	E570-R577 IonicContact OE2-CZ 3.95Å; E570-R577 IonicContact OE2-NH1 3.5Å; E570-R577 PolarHBondContact OE2-NH1 3.04Å; P571-R577 HydrophobicContact CB-CG 4.07Å; P571-R577 HydrophobicContact CG-CG 4.27Å; P571-R577 WeakPolarHBondContact O-CG 3.33Å; P571-R577 PolarHBondContact O-NE 2.87Å; P571-R577 PolarHBondContact O-NH2 2.95Å; H573-R577 PolarHBondContact O-N 2.89Å; R574-R577 PolarHBondContact O-N 2.69Å; C575-R577 VanDerWaalsContact C-N 3.31Å; C575-R577 PolarHBondContact O-N 3.1Å
578	K	59	Low	65.8	Low	153 Å²	153	73.5 Å²	73.5	67%	0.665	33%	0.33	S	S	*	.	H	α-helix	trans	-75.4	-31.7	177.2	-73.6	-180	177	-175.5	0	112.1	R574 C575 C576	R574-K578 PolarHBondContact O-N 3.39Å; C575-K578 PolarHBondContact O-N 3.11Å; C575-K578 VanDerWaalsContact O-N 3.17Å; C576-K578 VanDerWaalsContact C-N 3.32Å; C576-K578 PolarHBondContact O-N 3.28Å
579	L	51.9	Low	67.5	Low	67 Å²	67	72.1 Å²	72.1	35%	0.351	32%	0.324	S	S	.	.	H	α-helix	trans	-93.8	-17.6	-172.9	-68.3	167.1	0	0	0	113.7	L346 C575 C576	L346-L579 HydrophobicContact CD1-CD2 4.5Å; C575-L579 PolarHBondContact O-N 2.98Å; C576-L579 PolarHBondContact O-N 3.29Å
580	M	59.2	Low	69.3	Low	29 Å²	29	68.1 Å²	68.1	14%	0.143	31%	0.306	C	S	.	.			trans	-138.2	142.8	-163.6	-51.2	-174.2	83.4	0	0	113.8	L368 H377 V379 W557 C576	L368-M580 HydrophobicContact CD2-CE 3.89Å; H377-M580 HydrophobicContact CB-CE 3.97Å; H377-M580 HydrophobicContact CB-SD 4.14Å; V379-M580 HydrophobicContact CG2-CE 3.61Å; W557-M580 HydrophobicContact CB-CE 4.14Å; C576-M580 WeakPolarHBondContact O-CB 3.5Å; C576-M580 PolarHBondContact O-N 2.86Å
581	H	61.2	Low	70.6	Confident	81 Å²	81	64.2 Å²	64.2	38%	0.375	29%	0.292	S	S	.	.			trans	-98.8	139	173.5	-168	66.4	0	0	0	110.3	D455 I556 W557	D455-H581 IonicContact OD2-CE1 3.97Å; D455-H581 PolarHBondContact OD2-CE1 3.46Å; D455-H581 IonicContact OD2-NE2 2.8Å; D455-H581 PolarHBondContact OD2-NE2 3.14Å; I556-H581 HydrophobicContact CG1-CB 4.47Å; I556-H581 WeakPolarHBondContact CG2-O 3.45Å; W557-H581 PolarHBondContact N-O 3.49Å
582	C	63.2	Low	71.8	Confident	37 Å²	37	71 Å²	71	25%	0.25	32%	0.32	C	S	.	.	B	Isolated β-bridge	trans	-111	114.6	179.1	-179.4	0	0	0	0	109.6	W557	W557-C582 HydrophobicContact CE3-CB 4.35Å
583	M	69.8	Low	72.6	Confident	1 Å²	1	63.6 Å²	63.6	1%	0.005	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-101.8	152.6	178	-66.6	-166.2	-58.2	0	0	111.6	M380 L442 F452 V453 V454 I556 F568	M380-M583 HydrophobicContact CE-CE 3.16Å; L442-M583 HydrophobicContact CB-CE 4.31Å; L442-M583 HydrophobicContact CD1-CE 3.37Å; L442-M583 HydrophobicContact CD1-SD 4.1Å; L442-M583 HydrophobicContact CG-CE 4.34Å; F452-M583 HydrophobicContact CB-CB 4.06Å; F452-M583 HydrophobicContact CB-CE 3.54Å; F452-M583 HydrophobicContact CB-SD 4.46Å; F452-M583 HydrophobicContact CG-CE 4.37Å; V453-M583 WeakPolarHBondContact O-CB 3.11Å; V454-M583 HydrophobicContact CG2-SD 4.39Å; I556-M583 HydrophobicContact CB-CE 4.22Å; I556-M583 HydrophobicContact CD1-CE 3.59Å; I556-M583 HydrophobicContact CD1-SD 3.91Å; I556-M583 HydrophobicContact CG1-CE 4.43Å; I556-M583 HydrophobicContact CG2-CB 4.36Å; I556-M583 HydrophobicContact CG2-CE 3.51Å; I556-M583 HydrophobicContact CG2-CG 3.9Å; I556-M583 HydrophobicContact CG2-SD 4.29Å; F568-M583 WeakPolarHBondContact CD1-O 3.4Å; F568-M583 WeakPolarHBondContact CE1-O 3.38Å; F568-M583 WeakPolarHBondContact CZ-O 3.3Å
584	K	75.2	Confident	73.3	Confident	64 Å²	64	66.4 Å²	66.4	28%	0.278	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	146.8	178.9	-68.3	167.4	178.4	160.7	0	111.2	F452 V453 C487 G488 F589	F452-K584 CarbonylContact C-O 3.59Å; F452-K584 WeakPolarHBondContact CA-O 3.39Å; V453-K584 PolarHBondContact N-O 2.86Å; C487-K584 PolarHBondContact O-NZ 2.82Å; G488-K584 VanDerWaalsContact C-NZ 3.26Å; G488-K584 VanDerWaalsContact CA-NZ 3.29Å; G488-K584 PolarHBondContact O-NZ 3.11Å; K584-F589 HydrophobicContact CD-CD2 4.48Å
585	R	80.9	Confident	73.4	Confident	45 Å²	45	64.7 Å²	64.7	17%	0.17	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	137	167.4	-68.5	-166.7	-174.9	-141.6	6.6	110.4	E451 F452 D561 F568 H587 Q588 F589	E451-R585 CarbonylContact O-C 3.5Å; E451-R585 VanDerWaalsContact O-CA 3.3Å; E451-R585 WeakPolarHBondContact O-CA 3.23Å; F452-R585 HydrophobicContact CD1-CG 4.31Å; F452-R585 HydrophobicContact CE1-CG 3.81Å; D561-R585 IonicContact OD1-NH2 2.7Å; F568-R585 HydrophobicContact CE2-CB 4.28Å; F568-R585 HydrophobicContact CE2-CG 3.89Å; F568-R585 HydrophobicContact CZ-CB 4.41Å; F568-R585 HydrophobicContact CZ-CG 3.7Å; R585-H587 VanDerWaalsContact C-N 3.33Å; R585-H587 PolarHBondContact O-N 3.37Å; R585-Q588 HydrophobicContact CB-CB 4.47Å; R585-Q588 HydrophobicContact CB-CG 4.28Å; R585-Q588 PolarHBondContact O-N 3.14Å; R585-F589 WeakPolarHBondContact O-CB 3.37Å; R585-F589 PolarHBondContact O-N 2.87Å
586	F	87.5	Confident	73.4	Confident	17 Å²	17	72.2 Å²	72.2	8%	0.075	33%	0.327	C	S	.	.	H	α-helix	trans	-56.3	-45.5	178.7	174	-105.8	0	0	0	112.3	L390 L433 L439 V441 E451 V453 Q588 F589 N590	L390-F586 HydrophobicContact CD1-CD2 3.74Å; L390-F586 HydrophobicContact CD1-CE1 4.43Å; L390-F586 HydrophobicContact CD1-CE2 3.39Å; L390-F586 HydrophobicContact CD1-CG 4.4Å; L390-F586 HydrophobicContact CD1-CZ 3.78Å; L433-F586 HydrophobicContact CD2-CE2 3.75Å; L433-F586 HydrophobicContact CD2-CZ 3.87Å; L439-F586 HydrophobicContact CD1-CD2 4.47Å; V441-F586 HydrophobicContact CG1-CB 4.25Å; V441-F586 HydrophobicContact CG1-CD2 3.98Å; V441-F586 HydrophobicContact CG1-CG 4.31Å; E451-F586 HydrophobicContact CB-CB 3.93Å; E451-F586 PolarHBondContact O-N 2.65Å; E451-F586 WeakPolarHBondContact OE2-CD1 3.32Å; V453-F586 HydrophobicContact CG2-CB 3.98Å; V453-F586 HydrophobicContact CG2-CD2 4.02Å; F586-Q588 VanDerWaalsContact C-N 3.34Å; F586-Q588 PolarHBondContact O-N 3.43Å; F586-F589 PolarHBondContact O-N 3.12Å; F586-N590 HydrophobicContact CE1-CB 4.42Å; F586-N590 HydrophobicContact CE2-CB 4.19Å; F586-N590 HydrophobicContact CZ-CB 4.08Å; F586-N590 WeakPolarHBondContact O-CB 3.15Å; F586-N590 PolarHBondContact O-N 3.49Å
587	H	85.6	Confident	73.6	Confident	139 Å²	139	79.9 Å²	79.9	64%	0.644	36%	0.356	S	S	*	.	H	α-helix	trans	-56.7	-46.2	179.1	-179.5	74.4	0	0	0	112.4	R585 S591	R585-H587 VanDerWaalsContact C-N 3.33Å; R585-H587 PolarHBondContact O-N 3.37Å; H587-S591 VanDerWaalsContact O-CB 3.23Å; H587-S591 WeakPolarHBondContact O-CB 3.3Å; H587-S591 PolarHBondContact O-N 2.81Å; H587-S591 PolarHBondContact O-OG 2.9Å
588	Q	82.6	Confident	74	Confident	35 Å²	35	78.3 Å²	78.3	16%	0.164	37%	0.369	C	S	.	.	H	α-helix	trans	-68.8	-42.2	178.8	-66.6	-178.6	-5.6	0	0	112.1	D565 G566 R585 F586 K592	D565-Q588 PolarHBondContact O-NE2 2.83Å; G566-Q588 VanDerWaalsContact CA-NE2 3.32Å; G566-Q588 PolarHBondContact O-NE2 3.35Å; G566-Q588 PolarHBondContact O-OE1 3.48Å; R585-Q588 HydrophobicContact CB-CB 4.47Å; R585-Q588 HydrophobicContact CB-CG 4.28Å; R585-Q588 PolarHBondContact O-N 3.14Å; F586-Q588 VanDerWaalsContact C-N 3.34Å; F586-Q588 PolarHBondContact O-N 3.43Å; Q588-K592 WeakPolarHBondContact O-CB 3.43Å; Q588-K592 VanDerWaalsContact O-CG 3.3Å; Q588-K592 WeakPolarHBondContact O-CG 3.47Å; Q588-K592 PolarHBondContact O-N 2.85Å
589	F	86	Confident	75.1	Confident	7 Å²	7	77.7 Å²	77.7	3%	0.031	36%	0.363	C	S	.	.	H	α-helix	trans	-58.6	-51.3	176.1	173.8	-97	0	0	0	110.9	L439 V453 I457 C487 V489 K584 R585 F586 S591 K592 G593	L439-F589 HydrophobicContact CD2-CD1 4.35Å; L439-F589 HydrophobicContact CD2-CE1 3.75Å; V453-F589 HydrophobicContact CG2-CB 3.9Å; V453-F589 HydrophobicContact CG2-CD1 4.08Å; V453-F589 HydrophobicContact CG2-CG 4.02Å; I457-F589 HydrophobicContact CD1-CZ 3.94Å; C487-F589 HydrophobicContact CB-CE2 3.77Å; C487-F589 HydrophobicContact CB-CZ 4.15Å; V489-F589 HydrophobicContact CG2-CD2 4.44Å; V489-F589 HydrophobicContact CG2-CE2 3.61Å; V489-F589 HydrophobicContact CG2-CZ 4.06Å; K584-F589 HydrophobicContact CD-CD2 4.48Å; R585-F589 WeakPolarHBondContact O-CB 3.37Å; R585-F589 PolarHBondContact O-N 2.87Å; F586-F589 PolarHBondContact O-N 3.12Å; F589-S591 PolarHBondContact O-N 2.78Å; F589-K592 PolarHBondContact O-N 2.81Å; F589-G593 PolarHBondContact O-N 2.96Å
590	N	88.5	Confident	76.8	Confident	24 Å²	24	77.7 Å²	77.7	13%	0.128	37%	0.366	C	S	.	.	H	α-helix	trans	-66.8	-40.7	-177.1	-159.1	21.4	0	0	0	111.2	D432 N434 F586 G593	D432-N590 PolarHBondContact O-ND2 3.4Å; N434-N590 WeakPolarHBondContact CB-O 3.38Å; N434-N590 WeakPolarHBondContact CB-OD1 3.37Å; N434-N590 PolarHBondContact N-OD1 3.08Å; N434-N590 PolarHBondContact ND2-O 3.37Å; N434-N590 PolarHBondContact ND2-OD1 3.34Å; N434-N590 VanDerWaalsContact ND2-OD1 3.12Å; F586-N590 HydrophobicContact CE1-CB 4.42Å; F586-N590 HydrophobicContact CE2-CB 4.19Å; F586-N590 HydrophobicContact CZ-CB 4.08Å; F586-N590 WeakPolarHBondContact O-CB 3.15Å; F586-N590 PolarHBondContact O-N 3.49Å; N590-G593 PolarHBondContact O-N 3.35Å; N590-G593 VanDerWaalsContact O-N 3.14Å
591	S	84.4	Confident	78.4	Confident	42 Å²	42	81.2 Å²	81.2	29%	0.294	39%	0.388	S	S	.	.	H	α-helix	trans	-63.2	-43.4	175.7	-70.4	0	0	0	0	112.8	H587 F589 G593 R594	H587-S591 VanDerWaalsContact O-CB 3.23Å; H587-S591 WeakPolarHBondContact O-CB 3.3Å; H587-S591 PolarHBondContact O-N 2.81Å; H587-S591 PolarHBondContact O-OG 2.9Å; F589-S591 PolarHBondContact O-N 2.78Å; S591-G593 PolarHBondContact O-N 3.23Å; S591-R594 WeakPolarHBondContact O-CG 3.32Å; S591-R594 PolarHBondContact O-N 3Å
592	K	80.7	Confident	79.9	Confident	163 Å²	163	79.6 Å²	79.6	71%	0.709	39%	0.385	S	S	*	.	H	α-helix	trans	-64.6	-26.2	173.5	-74.5	174.7	-179.4	173.5	0	112.5	Q588 F589 R594	Q588-K592 WeakPolarHBondContact O-CB 3.43Å; Q588-K592 VanDerWaalsContact O-CG 3.3Å; Q588-K592 WeakPolarHBondContact O-CG 3.47Å; Q588-K592 PolarHBondContact O-N 2.85Å; F589-K592 PolarHBondContact O-N 2.81Å; K592-R594 VanDerWaalsContact C-N 3.29Å; K592-R594 PolarHBondContact O-N 3.24Å
593	G	79.9	Confident	81.1	Confident	3 Å²	3	79 Å²	79	3%	0.031	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-12.5	179.5	0	0	0	0	0	115.2	N434 L435 R483 F589 N590 S591	N434-G593 VanDerWaalsContact CB-C 3.49Å; L435-G593 VanDerWaalsContact CD1-CA 3.42Å; R483-G593 PolarHBondContact NH2-O 3.36Å; F589-G593 PolarHBondContact O-N 2.96Å; N590-G593 PolarHBondContact O-N 3.35Å; N590-G593 VanDerWaalsContact O-N 3.14Å; S591-G593 PolarHBondContact O-N 3.23Å
594	R	79.3	Confident	82.2	Confident	153 Å²	153	81.6 Å²	81.6	58%	0.577	39%	0.394	S	S	*	.			trans	-55.9	140.3	-176.4	-70.9	-177.8	-176	-157.3	3.1	112.4	N434 S591 K592 Q596	N434-R594 WeakPolarHBondContact ND2-CG 3.34Å; S591-R594 WeakPolarHBondContact O-CG 3.32Å; S591-R594 PolarHBondContact O-N 3Å; K592-R594 VanDerWaalsContact C-N 3.29Å; K592-R594 PolarHBondContact O-N 3.24Å; R594-Q596 PolarHBondContact O-N 2.95Å
595	K	70.9	Confident	83.1	Confident	155 Å²	155	78.6 Å²	78.6	67%	0.674	38%	0.381	S	S	*	.	S	Bend	trans	-57.1	-37.6	178.8	-77.9	179.6	-179.7	174.3	0	112.8	R483	R483-K595 VanDerWaalsContact CZ-CG 3.47Å; R483-K595 VanDerWaalsContact NH1-CG 3.34Å
596	Q	67.1	Low	83.7	Confident	174 Å²	174	77.2 Å²	77.2	81%	0.813	38%	0.379	S	S	*	.	S	Bend	trans	-103.1	94.2	178.1	-65.7	-176.2	1.4	0	0	109	R594	R594-Q596 PolarHBondContact O-N 2.95Å
597	R	68.8	Low	83.9	Confident	163 Å²	163	80.5 Å²	80.5	62%	0.615	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-77	140.5	165.8	176.6	177.2	165.8	168.1	-3.5	108.7	W599	R597-W599 PolarHBondContact O-N 2.89Å; R597-W599 PolarHBondContact O-NE1 2.87Å
598	A	72.7	Confident	84.3	Confident	92 Å²	92	77.4 Å²	77.4	76%	0.76	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-59.7	122	168.6	0	0	0	0	0	109.5
599	W	81.1	Confident	84.8	Confident	140 Å²	140	75.7 Å²	75.7	53%	0.53	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-85.3	142.9	-179	-58.7	-29.3	0	0	0	110.5	R597 E603 R607	R597-W599 PolarHBondContact O-N 2.89Å; R597-W599 PolarHBondContact O-NE1 2.87Å; W599-E603 WeakPolarHBondContact CA-OE2 3.44Å; W599-E603 HydrophobicContact CB-CB 4.23Å; W599-R607 VanDerWaalsContact CD1-NH1 3.31Å; W599-R607 VanDerWaalsContact NE1-CZ 3.35Å
600	T	88	Confident	85.1	Confident	68 Å²	68	78.7 Å²	78.7	42%	0.417	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-71	161.5	168.5	67.8	0	0	0	0	110	T602 E603 T604	T600-T602 PolarHBondContact O-N 3.07Å; T600-E603 PolarHBondContact O-N 3.5Å; T600-E603 WeakPolarHBondContact OG1-CB 3.42Å; T600-E603 VanDerWaalsContact OG1-CG 3.3Å; T600-E603 WeakPolarHBondContact OG1-CG 3.43Å; T600-E603 PolarHBondContact OG1-N 2.9Å; T600-T604 WeakPolarHBondContact O-CB 3.3Å; T600-T604 PolarHBondContact O-N 3.34Å; T600-T604 PolarHBondContact O-OG1 2.99Å
601	V	92.8	Very high	85.2	Confident	102 Å²	102	84.9 Å²	84.9	62%	0.618	41%	0.414	S	S	*	.	H	α-helix	trans	-56.2	-40.9	174.5	179.7	0	0	0	0	110.4	T604 F605 T629	V601-T604 WeakPolarHBondContact O-CB 3.48Å; V601-T604 PolarHBondContact O-N 3.09Å; V601-F605 PolarHBondContact O-N 3.46Å; V601-T629 HydrophobicContact CB-CG2 4.41Å; V601-T629 HydrophobicContact CG1-CG2 3.79Å
602	T	92.3	Very high	85.5	Confident	48 Å²	48	84.5 Å²	84.5	29%	0.294	41%	0.407	S	S	.	.	H	α-helix	trans	-63.8	-45.1	176.2	-57.4	0	0	0	0	113.1	T600 T604 F605 A606 I624 P628	T600-T602 PolarHBondContact O-N 3.07Å; T602-T604 VanDerWaalsContact C-N 3.29Å; T602-T604 PolarHBondContact O-N 3.33Å; T602-F605 PolarHBondContact O-N 2.75Å; T602-A606 PolarHBondContact O-N 3.48Å; T602-I624 HydrophobicContact CG2-CG2 3.33Å; T602-P628 VanDerWaalsContact CA-O 3.31Å; T602-P628 WeakPolarHBondContact CA-O 3.42Å; T602-P628 WeakPolarHBondContact CB-O 3.33Å; T602-P628 WeakPolarHBondContact CG2-O 3.46Å; T602-P628 PolarHBondContact OG1-O 3.05Å
603	E	90	Very high	85.8	Confident	24 Å²	24	84 Å²	84	11%	0.112	41%	0.412	C	S	.	.	H	α-helix	trans	-64.8	-35.4	175.6	-75.5	176.7	-173.9	0	0	112.2	F308 W599 T600 A606 R607	F308-E603 HydrophobicContact CZ-CG 4.36Å; F308-E603 VanDerWaalsContact CZ-OE1 3.25Å; F308-E603 WeakPolarHBondContact CZ-OE1 3.43Å; W599-E603 WeakPolarHBondContact CA-OE2 3.44Å; W599-E603 HydrophobicContact CB-CB 4.23Å; T600-E603 PolarHBondContact O-N 3.5Å; T600-E603 WeakPolarHBondContact OG1-CB 3.42Å; T600-E603 VanDerWaalsContact OG1-CG 3.3Å; T600-E603 WeakPolarHBondContact OG1-CG 3.43Å; T600-E603 PolarHBondContact OG1-N 2.9Å; E603-A606 WeakPolarHBondContact O-CB 3.44Å; E603-A606 PolarHBondContact O-N 2.9Å; E603-R607 PolarHBondContact O-N 3.39Å; E603-R607 VanDerWaalsContact O-N 3.14Å; E603-R607 PolarHBondContact O-NH1 2.87Å
604	T	92.4	Very high	86	Confident	55 Å²	55	86.1 Å²	86.1	34%	0.337	43%	0.434	S	S	.	.	H	α-helix	trans	-64.9	-46.5	175.6	-56.5	0	0	0	0	110	T600 V601 T602 A606 R607 M608	T600-T604 WeakPolarHBondContact O-CB 3.3Å; T600-T604 PolarHBondContact O-N 3.34Å; T600-T604 PolarHBondContact O-OG1 2.99Å; V601-T604 WeakPolarHBondContact O-CB 3.48Å; V601-T604 PolarHBondContact O-N 3.09Å; T602-T604 VanDerWaalsContact C-N 3.29Å; T602-T604 PolarHBondContact O-N 3.33Å; T604-A606 VanDerWaalsContact C-N 3.32Å; T604-A606 PolarHBondContact O-N 3.46Å; T604-R607 PolarHBondContact O-N 3.1Å; T604-R607 VanDerWaalsContact O-N 3.12Å; T604-M608 WeakPolarHBondContact O-CG 3.35Å; T604-M608 PolarHBondContact O-N 3.07Å
605	F	94.6	Very high	86.5	Confident	1 Å²	1	79.5 Å²	79.5	0%	0.004	41%	0.41	C	S	.	.	H	α-helix	trans	-60	-40.8	175	-178.1	-140.4	0	0	0	112.3	V601 T602 R607 M608 L609 I623 I624 Y627 V630 L633 F681	V601-F605 PolarHBondContact O-N 3.46Å; T602-F605 PolarHBondContact O-N 2.75Å; F605-R607 VanDerWaalsContact C-N 3.31Å; F605-R607 PolarHBondContact O-N 2.86Å; F605-M608 WeakPolarHBondContact O-CB 3.45Å; F605-M608 PolarHBondContact O-N 2.8Å; F605-M608 VanDerWaalsContact O-N 3.13Å; F605-L609 HydrophobicContact CD1-CD1 4.4Å; F605-L609 HydrophobicContact CD2-CD1 4.48Å; F605-L609 HydrophobicContact CD2-CG 4.2Å; F605-L609 HydrophobicContact CE1-CD1 4.04Å; F605-L609 HydrophobicContact CE2-CD1 4.15Å; F605-L609 HydrophobicContact CE2-CD2 3.92Å; F605-L609 HydrophobicContact CE2-CG 3.85Å; F605-L609 HydrophobicContact CZ-CD1 3.91Å; F605-L609 HydrophobicContact CZ-CD2 4.06Å; F605-L609 HydrophobicContact CZ-CG 4.08Å; F605-L609 WeakPolarHBondContact O-CG 3.44Å; F605-L609 PolarHBondContact O-N 2.67Å; F605-I623 HydrophobicContact CE1-CG2 4.47Å; F605-I623 HydrophobicContact CZ-CG2 4.47Å; F605-I624 HydrophobicContact CD1-CG1 4.22Å; F605-Y627 VanDerWaalsContact CE1-O 3.26Å; F605-Y627 WeakPolarHBondContact CE1-O 3.3Å; F605-V630 HydrophobicContact CB-CG2 4.23Å; F605-V630 HydrophobicContact CD2-CB 4.37Å; F605-V630 HydrophobicContact CD2-CG2 3.25Å; F605-V630 HydrophobicContact CE2-CG2 3.7Å; F605-V630 HydrophobicContact CG-CG2 3.84Å; F605-L633 HydrophobicContact CE2-CD2 4.43Å; F605-L633 HydrophobicContact CZ-CB 4.4Å; F605-L633 HydrophobicContact CZ-CD2 3.83Å; F605-F681 HydrophobicContact CE2-CE2 4.33Å; F605-F681 AromaticContact CE2-CZ 3.95Å; F605-F681 HydrophobicContact CE2-CZ 3.95Å
606	A	93.3	Very high	87.4	Confident	16 Å²	16	74.4 Å²	74.4	13%	0.132	39%	0.394	C	S	.	.	H	α-helix	trans	-55.6	-44.6	173.4	0	0	0	0	0	113	T602 E603 T604 M608 L609 L610 I624	T602-A606 PolarHBondContact O-N 3.48Å; E603-A606 WeakPolarHBondContact O-CB 3.44Å; E603-A606 PolarHBondContact O-N 2.9Å; T604-A606 VanDerWaalsContact C-N 3.32Å; T604-A606 PolarHBondContact O-N 3.46Å; A606-M608 VanDerWaalsContact C-N 3.34Å; A606-L609 PolarHBondContact O-N 2.89Å; A606-L610 WeakPolarHBondContact O-CG 3.4Å; A606-L610 PolarHBondContact O-N 3.02Å; A606-I624 HydrophobicContact CB-CD1 3.24Å
607	R	90.6	Very high	88.4	Confident	87 Å²	87	67.6 Å²	67.6	33%	0.328	37%	0.368	S	S	.	.	H	α-helix	trans	-68.6	-33.8	178.6	-70.7	-172.2	-170.7	85.5	-0.2	112.4	W599 E603 T604 F605 L610 Q611	W599-R607 VanDerWaalsContact CD1-NH1 3.31Å; W599-R607 VanDerWaalsContact NE1-CZ 3.35Å; E603-R607 PolarHBondContact O-N 3.39Å; E603-R607 VanDerWaalsContact O-N 3.14Å; E603-R607 PolarHBondContact O-NH1 2.87Å; T604-R607 PolarHBondContact O-N 3.1Å; T604-R607 VanDerWaalsContact O-N 3.12Å; F605-R607 VanDerWaalsContact C-N 3.31Å; F605-R607 PolarHBondContact O-N 2.86Å; R607-L610 PolarHBondContact O-N 2.65Å; R607-Q611 WeakPolarHBondContact O-CG 3.07Å; R607-Q611 PolarHBondContact O-N 3.32Å; R607-Q611 PolarHBondContact O-NE2 3.45Å
608	M	93.3	Very high	89.4	Confident	73 Å²	73	64.9 Å²	64.9	36%	0.36	36%	0.362	S	S	.	.	H	α-helix	trans	-62.1	-47.2	171.9	-64.7	168.7	68.8	0	0	110.5	T604 F605 A606 L610 Q611 V630	T604-M608 WeakPolarHBondContact O-CG 3.35Å; T604-M608 PolarHBondContact O-N 3.07Å; F605-M608 WeakPolarHBondContact O-CB 3.45Å; F605-M608 PolarHBondContact O-N 2.8Å; F605-M608 VanDerWaalsContact O-N 3.13Å; A606-M608 VanDerWaalsContact C-N 3.34Å; M608-L610 VanDerWaalsContact C-N 3.29Å; M608-L610 PolarHBondContact O-N 2.94Å; M608-Q611 WeakPolarHBondContact O-CB 3.29Å; M608-Q611 PolarHBondContact O-N 2.84Å; M608-V630 HydrophobicContact CE-CG2 4.07Å; M608-V630 HydrophobicContact SD-CG2 4.06Å
609	L	93.2	Very high	90.2	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60	-37.4	176.9	-69.3	173.1	0	0	0	112.5	F605 A606 Q611 F612 I615 A620 I623 I624 I677	F605-L609 HydrophobicContact CD1-CD1 4.4Å; F605-L609 HydrophobicContact CD2-CD1 4.48Å; F605-L609 HydrophobicContact CD2-CG 4.2Å; F605-L609 HydrophobicContact CE1-CD1 4.04Å; F605-L609 HydrophobicContact CE2-CD1 4.15Å; F605-L609 HydrophobicContact CE2-CD2 3.92Å; F605-L609 HydrophobicContact CE2-CG 3.85Å; F605-L609 HydrophobicContact CZ-CD1 3.91Å; F605-L609 HydrophobicContact CZ-CD2 4.06Å; F605-L609 HydrophobicContact CZ-CG 4.08Å; F605-L609 WeakPolarHBondContact O-CG 3.44Å; F605-L609 PolarHBondContact O-N 2.67Å; A606-L609 PolarHBondContact O-N 2.89Å; L609-Q611 PolarHBondContact O-N 3.36Å; L609-F612 WeakPolarHBondContact O-CD2 3.35Å; L609-F612 PolarHBondContact O-N 3.06Å; L609-F612 VanDerWaalsContact O-N 3.13Å; L609-I615 HydrophobicContact CB-CG2 4.33Å; L609-I615 WeakPolarHBondContact O-CB 3.48Å; L609-I615 WeakPolarHBondContact O-CG2 3.35Å; L609-A620 HydrophobicContact CB-CB 4.05Å; L609-A620 HydrophobicContact CD1-CB 4.33Å; L609-I623 HydrophobicContact CD1-CB 3.96Å; L609-I623 HydrophobicContact CD1-CD1 4.23Å; L609-I623 HydrophobicContact CD1-CG2 3.77Å; L609-I623 HydrophobicContact CD2-CD1 4.2Å; L609-I623 HydrophobicContact CD2-CG2 4.47Å; L609-I624 HydrophobicContact CD1-CG1 4.1Å; L609-I677 HydrophobicContact CD2-CD1 4.3Å; L609-I677 HydrophobicContact CD2-CG2 4.29Å
610	L	92.2	Very high	90.7	Very high	70 Å²	70	56.5 Å²	56.5	37%	0.366	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-13.3	176.9	-72	172.5	0	0	0	114.3	A606 R607 M608 F612 A617 A620	A606-L610 WeakPolarHBondContact O-CG 3.4Å; A606-L610 PolarHBondContact O-N 3.02Å; R607-L610 PolarHBondContact O-N 2.65Å; M608-L610 VanDerWaalsContact C-N 3.29Å; M608-L610 PolarHBondContact O-N 2.94Å; L610-F612 VanDerWaalsContact C-N 3.28Å; L610-A617 HydrophobicContact CD2-CB 4.5Å; L610-A620 HydrophobicContact CD2-CB 4.33Å; L610-A620 HydrophobicContact CG-CB 4.42Å
611	Q	92.5	Very high	90.9	Very high	153 Å²	153	55.4 Å²	55.4	72%	0.715	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-19.1	172.3	-58	-50.4	-58.8	0	0	112.5	R607 M608 L609 N613	R607-Q611 WeakPolarHBondContact O-CG 3.07Å; R607-Q611 PolarHBondContact O-N 3.32Å; R607-Q611 PolarHBondContact O-NE2 3.45Å; M608-Q611 WeakPolarHBondContact O-CB 3.29Å; M608-Q611 PolarHBondContact O-N 2.84Å; L609-Q611 PolarHBondContact O-N 3.36Å; Q611-N613 PolarHBondContact O-N 3.03Å
612	F	90	Very high	90.8	Very high	35 Å²	35	54 Å²	54	15%	0.154	29%	0.288	C	S	.	.	S	Bend	trans	-76.7	125.1	177.3	-67.4	-91.1	0	0	0	110.9	L609 L610 G614 I615 N676 I677 F680	L609-F612 WeakPolarHBondContact O-CD2 3.35Å; L609-F612 PolarHBondContact O-N 3.06Å; L609-F612 VanDerWaalsContact O-N 3.13Å; L610-F612 VanDerWaalsContact C-N 3.28Å; F612-G614 PolarHBondContact O-N 3.19Å; F612-G614 VanDerWaalsContact O-N 3.12Å; F612-I615 HydrophobicContact CB-CB 4.43Å; F612-I615 HydrophobicContact CB-CG1 3.84Å; F612-I615 PolarHBondContact O-N 2.71Å; F612-I615 VanDerWaalsContact O-N 3.08Å; F612-N676 HydrophobicContact CD1-CB 4.49Å; F612-I677 HydrophobicContact CB-CG1 4.42Å; F612-I677 HydrophobicContact CD1-CG1 3.92Å; F612-I677 HydrophobicContact CD2-CG1 4.18Å; F612-I677 HydrophobicContact CE1-CG1 4.17Å; F612-I677 HydrophobicContact CE2-CG1 4.4Å; F612-I677 HydrophobicContact CG-CG1 3.92Å; F612-I677 HydrophobicContact CZ-CG1 4.4Å; F612-F680 HydrophobicContact CE1-CB 3.73Å; F612-F680 HydrophobicContact CE1-CD1 4.5Å; F612-F680 HydrophobicContact CE1-CD2 4.42Å; F612-F680 AromaticContact CE1-CG 3.98Å; F612-F680 HydrophobicContact CE1-CG 3.98Å; F612-F680 HydrophobicContact CZ-CB 3.72Å; F612-F680 AromaticContact CZ-CD1 3.69Å; F612-F680 HydrophobicContact CZ-CD1 3.69Å; F612-F680 HydrophobicContact CZ-CD2 4.23Å; F612-F680 HydrophobicContact CZ-CE1 4.36Å; F612-F680 AromaticContact CZ-CG 3.61Å; F612-F680 HydrophobicContact CZ-CG 3.61Å
613	N	86.6	Confident	90.7	Very high	151 Å²	151	51.7 Å²	51.7	81%	0.807	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	119.1	177.6	-75.2	-37.8	0	0	0	111.3	Q611	Q611-N613 PolarHBondContact O-N 3.03Å
614	G	85.2	Confident	90.9	Very high	49 Å²	49	51.1 Å²	51.1	51%	0.505	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.5	-2.5	178.4	0	0	0	0	0	115	F612 R619	F612-G614 PolarHBondContact O-N 3.19Å; F612-G614 VanDerWaalsContact O-N 3.12Å; G614-R619 PolarHBondContact O-NH1 2.92Å
615	I	89.7	Confident	90.8	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.067	28%	0.278	C	S	.	.			trans	-87	115.8	167.8	-61.7	-59.5	0	0	0	109.4	L609 F612 R619 A620 I670 V673 I677	L609-I615 HydrophobicContact CB-CG2 4.33Å; L609-I615 WeakPolarHBondContact O-CB 3.48Å; L609-I615 WeakPolarHBondContact O-CG2 3.35Å; F612-I615 HydrophobicContact CB-CB 4.43Å; F612-I615 HydrophobicContact CB-CG1 3.84Å; F612-I615 PolarHBondContact O-N 2.71Å; F612-I615 VanDerWaalsContact O-N 3.08Å; I615-R619 HydrophobicContact CD1-CB 4.37Å; I615-R619 HydrophobicContact CG2-CB 4.22Å; I615-A620 HydrophobicContact CG2-CB 3.86Å; I615-I670 HydrophobicContact CD1-CG2 4.26Å; I615-V673 HydrophobicContact CD1-CB 4.31Å; I615-V673 HydrophobicContact CD1-CG1 3.5Å; I615-V673 HydrophobicContact CG1-CG1 3.79Å; I615-I677 HydrophobicContact CD1-CD1 3.76Å; I615-I677 HydrophobicContact CG1-CD1 3.91Å
616	S	89	Confident	90.6	Very high	49 Å²	49	57.5 Å²	57.5	34%	0.343	30%	0.303	S	S	.	.			trans	-88.3	166.8	170.9	61.9	0	0	0	0	110.6	E618 R619 A620	S616-E618 PolarHBondContact O-N 2.95Å; S616-R619 PolarHBondContact O-N 2.54Å; S616-R619 VanDerWaalsContact O-N 3.07Å; S616-R619 PolarHBondContact OG-N 2.97Å; S616-A620 PolarHBondContact O-N 2.76Å
617	A	88.3	Confident	90.5	Very high	31 Å²	31	58.7 Å²	58.7	26%	0.256	30%	0.304	S	S	.	.	H	α-helix	trans	-55.7	-39.9	173	0	0	0	0	0	112.4	F309 L610 R619 A620 Q621	F309-A617 HydrophobicContact CD1-CB 4.06Å; F309-A617 HydrophobicContact CD2-CB 4.46Å; F309-A617 HydrophobicContact CE1-CB 4.05Å; F309-A617 HydrophobicContact CE2-CB 4.45Å; F309-A617 HydrophobicContact CG-CB 4.28Å; F309-A617 HydrophobicContact CZ-CB 4.25Å; L610-A617 HydrophobicContact CD2-CB 4.5Å; A617-R619 PolarHBondContact O-N 2.73Å; A617-A620 PolarHBondContact O-N 2.89Å; A617-Q621 WeakPolarHBondContact O-CB 3.44Å; A617-Q621 PolarHBondContact O-N 2.99Å
618	E	88.9	Confident	90.6	Very high	106 Å²	106	56.9 Å²	56.9	50%	0.495	30%	0.304	S	S	.	.	H	α-helix	trans	-60.6	-44.7	174.5	-64.1	176.5	176.1	0	0	111.8	S616 Q621 E622	S616-E618 PolarHBondContact O-N 2.95Å; E618-Q621 PolarHBondContact O-N 2.88Å; E618-E622 WeakPolarHBondContact O-CG 3.29Å; E618-E622 PolarHBondContact O-N 2.91Å
619	R	90.3	Very high	90.6	Very high	54 Å²	54	54.8 Å²	54.8	20%	0.204	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-44.4	178.6	-77.1	172.5	168.8	-163.4	-14.4	112.3	G614 I615 S616 A617 Q621 E622 I623 S663 I670	G614-R619 PolarHBondContact O-NH1 2.92Å; I615-R619 HydrophobicContact CD1-CB 4.37Å; I615-R619 HydrophobicContact CG2-CB 4.22Å; S616-R619 PolarHBondContact O-N 2.54Å; S616-R619 VanDerWaalsContact O-N 3.07Å; S616-R619 PolarHBondContact OG-N 2.97Å; A617-R619 PolarHBondContact O-N 2.73Å; R619-Q621 VanDerWaalsContact C-N 3.28Å; R619-Q621 PolarHBondContact O-N 2.8Å; R619-E622 PolarHBondContact O-N 2.89Å; R619-I623 WeakPolarHBondContact O-CG1 3.21Å; R619-I623 PolarHBondContact O-N 2.98Å; R619-S663 WeakPolarHBondContact CG-OG 3.34Å; R619-I670 HydrophobicContact CG-CG1 4.42Å
620	A	92.3	Very high	90.6	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.017	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-40.9	177.1	0	0	0	0	0	111.1	L609 L610 I615 S616 A617 E622 I623 I624	L609-A620 HydrophobicContact CB-CB 4.05Å; L609-A620 HydrophobicContact CD1-CB 4.33Å; L610-A620 HydrophobicContact CD2-CB 4.33Å; L610-A620 HydrophobicContact CG-CB 4.42Å; I615-A620 HydrophobicContact CG2-CB 3.86Å; S616-A620 PolarHBondContact O-N 2.76Å; A617-A620 PolarHBondContact O-N 2.89Å; A620-E622 PolarHBondContact O-N 2.91Å; A620-I623 PolarHBondContact O-N 2.98Å; A620-I624 WeakPolarHBondContact O-CD1 3.47Å; A620-I624 VanDerWaalsContact O-CG1 3.22Å; A620-I624 WeakPolarHBondContact O-CG1 3.48Å; A620-I624 PolarHBondContact O-N 3.24Å
621	Q	91.1	Very high	90.6	Very high	45 Å²	45	55.7 Å²	55.7	21%	0.21	31%	0.309	C	S	.	.	H	α-helix	trans	-61.2	-42.4	178.3	-171.6	62	58.2	0	0	112.3	A617 E618 R619 I623 I624 N625	A617-Q621 WeakPolarHBondContact O-CB 3.44Å; A617-Q621 PolarHBondContact O-N 2.99Å; E618-Q621 PolarHBondContact O-N 2.88Å; R619-Q621 VanDerWaalsContact C-N 3.28Å; R619-Q621 PolarHBondContact O-N 2.8Å; Q621-I623 VanDerWaalsContact C-N 3.34Å; Q621-I623 PolarHBondContact O-N 3.27Å; Q621-I624 PolarHBondContact O-N 2.95Å; Q621-N625 PolarHBondContact NE2-OD1 2.78Å; Q621-N625 PolarHBondContact O-N 3.39Å; Q621-N625 PolarHBondContact O-ND2 2.82Å; Q621-N625 PolarHBondContact O-OD1 2.92Å
622	E	91.1	Very high	90.6	Very high	72 Å²	72	53 Å²	53	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-67.1	-34.8	179	-61.5	-61.4	164.6	0	0	112.7	E618 R619 A620 N625 I661 Q662	E618-E622 WeakPolarHBondContact O-CG 3.29Å; E618-E622 PolarHBondContact O-N 2.91Å; R619-E622 PolarHBondContact O-N 2.89Å; A620-E622 PolarHBondContact O-N 2.91Å; E622-N625 PolarHBondContact OE2-ND2 3.4Å; E622-I661 HydrophobicContact CB-CG2 3.65Å; E622-Q662 WeakPolarHBondContact CG-O 3.28Å
623	I	91.5	Very high	90.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.9	-47	171.3	-63	170	0	0	0	109.9	F605 L609 R619 A620 Q621 N625 L626 Y627 L658 I661 I670 I677	F605-I623 HydrophobicContact CE1-CG2 4.47Å; F605-I623 HydrophobicContact CZ-CG2 4.47Å; L609-I623 HydrophobicContact CD1-CB 3.96Å; L609-I623 HydrophobicContact CD1-CD1 4.23Å; L609-I623 HydrophobicContact CD1-CG2 3.77Å; L609-I623 HydrophobicContact CD2-CD1 4.2Å; L609-I623 HydrophobicContact CD2-CG2 4.47Å; R619-I623 WeakPolarHBondContact O-CG1 3.21Å; R619-I623 PolarHBondContact O-N 2.98Å; A620-I623 PolarHBondContact O-N 2.98Å; Q621-I623 VanDerWaalsContact C-N 3.34Å; Q621-I623 PolarHBondContact O-N 3.27Å; I623-N625 VanDerWaalsContact C-N 3.33Å; I623-N625 PolarHBondContact O-N 3.17Å; I623-L626 PolarHBondContact O-N 2.98Å; I623-Y627 HydrophobicContact CG2-CD2 4.29Å; I623-Y627 PolarHBondContact O-N 3.47Å; I623-L658 HydrophobicContact CG2-CD2 4.16Å; I623-I661 HydrophobicContact CG1-CD1 4.05Å; I623-I670 HydrophobicContact CD1-CD1 3.81Å; I623-I670 HydrophobicContact CG1-CD1 3.65Å; I623-I677 HydrophobicContact CD1-CD1 4.08Å
624	I	92.8	Very high	90.8	Very high	11 Å²	11	47.4 Å²	47.4	6%	0.056	27%	0.267	C	S	.	.	H	α-helix	trans	-64.6	-36.3	-178.3	-70.2	161.2	0	0	0	112.6	T602 F605 A606 L609 A620 Q621 L626 Y627 P628	T602-I624 HydrophobicContact CG2-CG2 3.33Å; F605-I624 HydrophobicContact CD1-CG1 4.22Å; A606-I624 HydrophobicContact CB-CD1 3.24Å; L609-I624 HydrophobicContact CD1-CG1 4.1Å; A620-I624 WeakPolarHBondContact O-CD1 3.47Å; A620-I624 VanDerWaalsContact O-CG1 3.22Å; A620-I624 WeakPolarHBondContact O-CG1 3.48Å; A620-I624 PolarHBondContact O-N 3.24Å; Q621-I624 PolarHBondContact O-N 2.95Å; I624-L626 PolarHBondContact O-N 2.77Å; I624-Y627 WeakPolarHBondContact CA-O 3.39Å; I624-Y627 CarbonylContact O-C 3.03Å; I624-Y627 VanDerWaalsContact O-C 3.25Å; I624-Y627 PolarHBondContact O-N 3.45Å; I624-P628 WeakPolarHBondContact O-CA 3.39Å
625	N	90.9	Very high	91.1	Very high	90 Å²	90	48.5 Å²	48.5	48%	0.481	26%	0.261	S	S	.	.	H	α-helix	trans	-59.8	-31.1	177.6	-68.9	-16.8	0	0	0	111.7	Q621 E622 I623	Q621-N625 PolarHBondContact NE2-OD1 2.78Å; Q621-N625 PolarHBondContact O-N 3.39Å; Q621-N625 PolarHBondContact O-ND2 2.82Å; Q621-N625 PolarHBondContact O-OD1 2.92Å; E622-N625 PolarHBondContact OE2-ND2 3.4Å; I623-N625 VanDerWaalsContact C-N 3.33Å; I623-N625 PolarHBondContact O-N 3.17Å
626	L	90	Very high	91	Very high	101 Å²	101	49.2 Å²	49.2	53%	0.529	27%	0.267	S	S	.	.	H	α-helix	trans	-90.4	-39.7	176.2	-62.7	175.4	0	0	0	112	I623 I624 I661	I623-L626 PolarHBondContact O-N 2.98Å; I624-L626 PolarHBondContact O-N 2.77Å; L626-I661 HydrophobicContact CD1-CD1 3.8Å; L626-I661 HydrophobicContact CD1-CG1 3.82Å
627	Y	92	Very high	91	Very high	41 Å²	41	48 Å²	48	16%	0.161	26%	0.255	C	S	.	.			trans	-128.4	88.7	-175.5	-48.4	-64.2	0	0	0	109.8	F605 I623 I624 T629 L633 V636 L658 I661	F605-Y627 VanDerWaalsContact CE1-O 3.26Å; F605-Y627 WeakPolarHBondContact CE1-O 3.3Å; I623-Y627 HydrophobicContact CG2-CD2 4.29Å; I623-Y627 PolarHBondContact O-N 3.47Å; I624-Y627 WeakPolarHBondContact CA-O 3.39Å; I624-Y627 CarbonylContact O-C 3.03Å; I624-Y627 VanDerWaalsContact O-C 3.25Å; I624-Y627 PolarHBondContact O-N 3.45Å; Y627-T629 PolarHBondContact O-N 3.22Å; Y627-T629 VanDerWaalsContact O-N 3.14Å; Y627-L633 HydrophobicContact CD2-CD1 4.01Å; Y627-L633 HydrophobicContact CE2-CD1 4.31Å; Y627-L633 HydrophobicContact CG-CD1 4.24Å; Y627-V636 HydrophobicContact CD1-CG2 4.06Å; Y627-V636 HydrophobicContact CE1-CB 4.41Å; Y627-V636 HydrophobicContact CE1-CG1 4.48Å; Y627-V636 HydrophobicContact CE1-CG2 3.55Å; Y627-L658 HydrophobicContact CD2-CD2 3.95Å; Y627-L658 HydrophobicContact CE2-CD2 3.65Å; Y627-I661 HydrophobicContact CE2-CD1 4.38Å
628	P	91.4	Very high	90.9	Very high	48 Å²	48	52.6 Å²	52.6	31%	0.312	27%	0.265	S	S	.	.	S	Bend	trans	-65.3	-21	-171.5	-26.2	36	0	0	0	115	T602 I624	T602-P628 VanDerWaalsContact CA-O 3.31Å; T602-P628 WeakPolarHBondContact CA-O 3.42Å; T602-P628 WeakPolarHBondContact CB-O 3.33Å; T602-P628 WeakPolarHBondContact CG2-O 3.46Å; T602-P628 PolarHBondContact OG1-O 3.05Å; I624-P628 WeakPolarHBondContact O-CA 3.39Å
629	T	93.5	Very high	90.8	Very high	29 Å²	29	53.3 Å²	53.3	18%	0.178	27%	0.269	C	S	.	.	S	Bend	trans	-138.9	163	179.4	74.6	0	0	0	0	110.7	V601 Y627 A631 H632 L633	V601-T629 HydrophobicContact CB-CG2 4.41Å; V601-T629 HydrophobicContact CG1-CG2 3.79Å; Y627-T629 PolarHBondContact O-N 3.22Å; Y627-T629 VanDerWaalsContact O-N 3.14Å; T629-A631 PolarHBondContact O-N 3.07Å; T629-A631 PolarHBondContact OG1-N 3.31Å; T629-H632 PolarHBondContact O-N 3.38Å; T629-H632 PolarHBondContact OG1-ND1 2.9Å; T629-L633 PolarHBondContact O-N 3.07Å
630	V	92.8	Very high	90.5	Very high	36 Å²	36	52.9 Å²	52.9	22%	0.218	27%	0.27	C	S	.	.	H	α-helix	trans	-56.1	-37.7	173.9	178.4	0	0	0	0	111.4	F605 M608 H632 L633 I634 F681	F605-V630 HydrophobicContact CB-CG2 4.23Å; F605-V630 HydrophobicContact CD2-CB 4.37Å; F605-V630 HydrophobicContact CD2-CG2 3.25Å; F605-V630 HydrophobicContact CE2-CG2 3.7Å; F605-V630 HydrophobicContact CG-CG2 3.84Å; M608-V630 HydrophobicContact CE-CG2 4.07Å; M608-V630 HydrophobicContact SD-CG2 4.06Å; V630-H632 PolarHBondContact O-N 3.48Å; V630-L633 PolarHBondContact O-N 2.68Å; V630-L633 VanDerWaalsContact O-N 3.14Å; V630-I634 HydrophobicContact CG1-CD1 3.71Å; V630-I634 HydrophobicContact CG1-CG1 4.15Å; V630-I634 WeakPolarHBondContact O-CG1 3.08Å; V630-I634 PolarHBondContact O-N 2.82Å; V630-F681 HydrophobicContact CG1-CD1 4.14Å; V630-F681 HydrophobicContact CG1-CE1 3.64Å; V630-F681 HydrophobicContact CG1-CZ 4.45Å; V630-F681 HydrophobicContact CG2-CE1 4.48Å
631	A	92.8	Very high	89.9	Confident	54 Å²	54	57.7 Å²	57.7	45%	0.446	29%	0.292	S	S	.	.	H	α-helix	trans	-59.4	-47.5	179.7	0	0	0	0	0	111.8	T629 L633 I634 D635	T629-A631 PolarHBondContact O-N 3.07Å; T629-A631 PolarHBondContact OG1-N 3.31Å; A631-L633 PolarHBondContact O-N 2.97Å; A631-I634 PolarHBondContact O-N 3.01Å; A631-I634 VanDerWaalsContact O-N 3.08Å; A631-D635 VanDerWaalsContact O-CG 3.32Å; A631-D635 PolarHBondContact O-N 3.21Å
632	H	92.3	Very high	89.4	Confident	95 Å²	95	60.3 Å²	60.3	44%	0.44	30%	0.304	S	S	.	.	H	α-helix	trans	-57.3	-38.6	176.1	-67.5	88.3	0	0	0	112.1	T629 V630 V636	T629-H632 PolarHBondContact O-N 3.38Å; T629-H632 PolarHBondContact OG1-ND1 2.9Å; V630-H632 PolarHBondContact O-N 3.48Å; H632-V636 VanDerWaalsContact O-CG2 3.24Å; H632-V636 WeakPolarHBondContact O-CG2 3.33Å; H632-V636 PolarHBondContact O-N 2.92Å
633	L	91	Very high	88.6	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.6	-39.2	178.2	-178	61.2	0	0	0	111.9	F605 Y627 T629 V630 A631 V636 Y637 L658 F681	F605-L633 HydrophobicContact CE2-CD2 4.43Å; F605-L633 HydrophobicContact CZ-CB 4.4Å; F605-L633 HydrophobicContact CZ-CD2 3.83Å; Y627-L633 HydrophobicContact CD2-CD1 4.01Å; Y627-L633 HydrophobicContact CE2-CD1 4.31Å; Y627-L633 HydrophobicContact CG-CD1 4.24Å; T629-L633 PolarHBondContact O-N 3.07Å; V630-L633 PolarHBondContact O-N 2.68Å; V630-L633 VanDerWaalsContact O-N 3.14Å; A631-L633 PolarHBondContact O-N 2.97Å; L633-V636 PolarHBondContact O-N 3.09Å; L633-Y637 HydrophobicContact CD1-CD2 4.42Å; L633-Y637 HydrophobicContact CD1-CE2 3.72Å; L633-Y637 HydrophobicContact CD2-CE2 4.02Å; L633-Y637 HydrophobicContact CG-CD2 4.14Å; L633-Y637 HydrophobicContact CG-CE2 3.54Å; L633-Y637 WeakPolarHBondContact O-CD2 3.3Å; L633-Y637 PolarHBondContact O-N 3.22Å; L633-L658 HydrophobicContact CD1-CD1 4.33Å; L633-L658 HydrophobicContact CD1-CD2 3.92Å; L633-L658 HydrophobicContact CD1-CG 4.36Å; L633-L658 HydrophobicContact CD2-CD1 4.36Å; L633-F681 HydrophobicContact CD2-CD2 3.7Å; L633-F681 HydrophobicContact CD2-CE2 3.83Å; L633-F681 HydrophobicContact CD2-CG 4.32Å
634	I	89.9	Confident	87.4	Confident	69 Å²	69	63.3 Å²	63.3	35%	0.354	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-42.8	176.5	-69.9	173.4	0	0	0	111.1	V630 A631 V636 Y637 R638	V630-I634 HydrophobicContact CG1-CD1 3.71Å; V630-I634 HydrophobicContact CG1-CG1 4.15Å; V630-I634 WeakPolarHBondContact O-CG1 3.08Å; V630-I634 PolarHBondContact O-N 2.82Å; A631-I634 PolarHBondContact O-N 3.01Å; A631-I634 VanDerWaalsContact O-N 3.08Å; I634-V636 VanDerWaalsContact C-N 3.28Å; I634-V636 PolarHBondContact O-N 3.41Å; I634-Y637 PolarHBondContact O-N 3.16Å; I634-Y637 VanDerWaalsContact O-N 3.1Å; I634-R638 HydrophobicContact CG2-CG 4.38Å; I634-R638 WeakPolarHBondContact O-CG 3.46Å; I634-R638 PolarHBondContact O-N 3.29Å
635	D	90.8	Very high	86	Confident	72 Å²	72	69.3 Å²	69.3	39%	0.385	36%	0.359	S	S	.	.	H	α-helix	trans	-59.8	-41.2	179.2	-68.3	-29.6	0	0	0	111.1	A631 Y637 R638 E639	A631-D635 VanDerWaalsContact O-CG 3.32Å; A631-D635 PolarHBondContact O-N 3.21Å; D635-Y637 PolarHBondContact O-N 3.47Å; D635-R638 WeakPolarHBondContact O-CB 3.48Å; D635-R638 PolarHBondContact O-N 2.97Å; D635-R638 VanDerWaalsContact O-N 3.16Å; D635-R638 IonicContact OD1-NH1 3.73Å; D635-E639 WeakPolarHBondContact O-CG 3.32Å; D635-E639 PolarHBondContact O-N 3.23Å
636	V	88.8	Confident	84.5	Confident	29 Å²	29	70.7 Å²	70.7	18%	0.176	37%	0.371	C	S	.	.	H	α-helix	trans	-62.1	-42.7	174.1	172.7	0	0	0	0	111.6	Y627 H632 L633 I634 R638 E639 L640 P657	Y627-V636 HydrophobicContact CD1-CG2 4.06Å; Y627-V636 HydrophobicContact CE1-CB 4.41Å; Y627-V636 HydrophobicContact CE1-CG1 4.48Å; Y627-V636 HydrophobicContact CE1-CG2 3.55Å; H632-V636 VanDerWaalsContact O-CG2 3.24Å; H632-V636 WeakPolarHBondContact O-CG2 3.33Å; H632-V636 PolarHBondContact O-N 2.92Å; L633-V636 PolarHBondContact O-N 3.09Å; I634-V636 VanDerWaalsContact C-N 3.28Å; I634-V636 PolarHBondContact O-N 3.41Å; V636-R638 VanDerWaalsContact C-N 3.31Å; V636-R638 PolarHBondContact O-N 3.12Å; V636-E639 PolarHBondContact O-N 2.79Å; V636-L640 HydrophobicContact CG1-CD1 4.16Å; V636-L640 VanDerWaalsContact O-CG 3.23Å; V636-L640 WeakPolarHBondContact O-CG 3.38Å; V636-L640 PolarHBondContact O-N 3.38Å; V636-P657 HydrophobicContact CG1-CB 4.22Å; V636-P657 HydrophobicContact CG1-CG 4.47Å
637	Y	88.3	Confident	82.8	Confident	23 Å²	23	72.7 Å²	72.7	9%	0.09	38%	0.378	C	S	.	.	H	α-helix	trans	-64	-36.6	175.1	-71.8	-52.7	0	0	0	112.6	L633 I634 D635 L640 E641 P657 L658 D678 F681 T682	L633-Y637 HydrophobicContact CD1-CD2 4.42Å; L633-Y637 HydrophobicContact CD1-CE2 3.72Å; L633-Y637 HydrophobicContact CD2-CE2 4.02Å; L633-Y637 HydrophobicContact CG-CD2 4.14Å; L633-Y637 HydrophobicContact CG-CE2 3.54Å; L633-Y637 WeakPolarHBondContact O-CD2 3.3Å; L633-Y637 PolarHBondContact O-N 3.22Å; I634-Y637 PolarHBondContact O-N 3.16Å; I634-Y637 VanDerWaalsContact O-N 3.1Å; D635-Y637 PolarHBondContact O-N 3.47Å; Y637-L640 PolarHBondContact O-N 2.87Å; Y637-E641 WeakPolarHBondContact O-CB 3.46Å; Y637-E641 PolarHBondContact O-N 3.33Å; Y637-P657 HydrophobicContact CD1-CG 4.16Å; Y637-P657 HydrophobicContact CE1-CG 3.46Å; Y637-P657 VanDerWaalsContact CE1-CG 3.46Å; Y637-L658 WeakPolarHBondContact OH-CD1 3.42Å; Y637-D678 HydrophobicContact CE1-CB 4.27Å; Y637-D678 WeakPolarHBondContact OH-CA 3.21Å; Y637-D678 PolarHBondContact OH-OD1 3.48Å; Y637-F681 HydrophobicContact CD2-CB 3.99Å; Y637-F681 HydrophobicContact CE2-CB 3.65Å; Y637-F681 HydrophobicContact CE2-CG 4.42Å; Y637-T682 HydrophobicContact CD1-CG2 3.75Å; Y637-T682 HydrophobicContact CD2-CG2 4.07Å; Y637-T682 HydrophobicContact CE1-CG2 4.2Å; Y637-T682 HydrophobicContact CE2-CG2 4.47Å; Y637-T682 HydrophobicContact CG-CG2 3.72Å
638	R	87.1	Confident	80.6	Confident	127 Å²	127	74.9 Å²	74.9	48%	0.479	40%	0.404	S	S	.	.	H	α-helix	trans	-65.7	-45.4	176	-71.9	178.9	59.6	-148.8	-9.2	111.9	I634 D635 V636 L640 E641 E642	I634-R638 HydrophobicContact CG2-CG 4.38Å; I634-R638 WeakPolarHBondContact O-CG 3.46Å; I634-R638 PolarHBondContact O-N 3.29Å; D635-R638 WeakPolarHBondContact O-CB 3.48Å; D635-R638 PolarHBondContact O-N 2.97Å; D635-R638 VanDerWaalsContact O-N 3.16Å; D635-R638 IonicContact OD1-NH1 3.73Å; V636-R638 VanDerWaalsContact C-N 3.31Å; V636-R638 PolarHBondContact O-N 3.12Å; R638-L640 VanDerWaalsContact C-N 3.28Å; R638-L640 PolarHBondContact O-N 2.75Å; R638-E641 WeakPolarHBondContact O-CB 3.44Å; R638-E641 PolarHBondContact O-N 2.85Å; R638-E641 VanDerWaalsContact O-N 3.14Å; R638-E642 IonicContact NH2-OE1 3.63Å; R638-E642 WeakPolarHBondContact O-CG 3.27Å; R638-E642 PolarHBondContact O-N 2.94Å
639	E	86.3	Confident	78.3	Confident	122 Å²	122	78.4 Å²	78.4	57%	0.57	43%	0.43	S	S	*	.	H	α-helix	trans	-59.8	-39.8	175.9	-72.4	174.4	-175.2	0	0	111.8	D635 V636 S643	D635-E639 WeakPolarHBondContact O-CG 3.32Å; D635-E639 PolarHBondContact O-N 3.23Å; V636-E639 PolarHBondContact O-N 2.79Å; E639-S643 VanDerWaalsContact O-CB 3.29Å; E639-S643 WeakPolarHBondContact O-CB 3.16Å; E639-S643 PolarHBondContact O-N 2.73Å; E639-S643 PolarHBondContact O-OG 2.65Å
640	L	83.2	Confident	75.7	Confident	45 Å²	45	81.7 Å²	81.7	24%	0.236	45%	0.454	C	S	.	.	H	α-helix	trans	-66.8	-39	174.9	-69.4	174.1	0	0	0	112.1	V636 Y637 R638 S644 L655 P657	V636-L640 HydrophobicContact CG1-CD1 4.16Å; V636-L640 VanDerWaalsContact O-CG 3.23Å; V636-L640 WeakPolarHBondContact O-CG 3.38Å; V636-L640 PolarHBondContact O-N 3.38Å; Y637-L640 PolarHBondContact O-N 2.87Å; R638-L640 VanDerWaalsContact C-N 3.28Å; R638-L640 PolarHBondContact O-N 2.75Å; L640-S644 WeakPolarHBondContact O-CB 3.43Å; L640-S644 PolarHBondContact O-N 3.24Å; L640-S644 PolarHBondContact O-OG 3.42Å; L640-L655 HydrophobicContact CD1-CB 4.3Å; L640-L655 HydrophobicContact CD2-CB 3.85Å; L640-L655 HydrophobicContact CD2-CD1 3.53Å; L640-L655 HydrophobicContact CD2-CG 4.3Å; L640-P657 HydrophobicContact CD1-CB 4.23Å; L640-P657 HydrophobicContact CD1-CG 3.98Å
641	E	80.1	Confident	73.2	Confident	102 Å²	102	88.2 Å²	88.2	48%	0.477	48%	0.482	S	S	.	.	H	α-helix	trans	-66.2	-44.9	175.8	-163.8	-169.4	161.6	0	0	111.6	Y637 R638 S644 K645	Y637-E641 WeakPolarHBondContact O-CB 3.46Å; Y637-E641 PolarHBondContact O-N 3.33Å; R638-E641 WeakPolarHBondContact O-CB 3.44Å; R638-E641 PolarHBondContact O-N 2.85Å; R638-E641 VanDerWaalsContact O-N 3.14Å; E641-S644 WeakPolarHBondContact CA-OG 3.16Å; E641-S644 PolarHBondContact O-N 3.3Å; E641-S644 PolarHBondContact O-OG 3.1Å; E641-K645 WeakPolarHBondContact O-CG 3.43Å; E641-K645 PolarHBondContact O-N 3.21Å; E641-K645 WeakPolarHBondContact OE1-CE 3.34Å; E641-K645 IonicContact OE1-NZ 3.86Å; E641-K645 PolarHBondContact OE1-NZ 3.12Å
642	E	80.2	Confident	70.5	Confident	100 Å²	100	92.3 Å²	92.3	47%	0.467	50%	0.502	S	S	.	.	H	α-helix	trans	-63.6	-42.1	176.6	-71.3	171.6	-169.2	0	0	111.6	R638 S644 K645 T646	R638-E642 IonicContact NH2-OE1 3.63Å; R638-E642 WeakPolarHBondContact O-CG 3.27Å; R638-E642 PolarHBondContact O-N 2.94Å; E642-S644 VanDerWaalsContact C-N 3.32Å; E642-S644 PolarHBondContact O-N 3.26Å; E642-K645 PolarHBondContact O-N 2.85Å; E642-T646 PolarHBondContact O-N 3.4Å; E642-T646 PolarHBondContact O-OG1 2.96Å
643	S	75	Confident	68.2	Low	62 Å²	62	95.9 Å²	95.9	43%	0.434	52%	0.519	S	S	.	.	H	α-helix	trans	-62.2	-40.1	174.7	-60.2	0	0	0	0	111.8	E639 K645 T646 Q647	E639-S643 VanDerWaalsContact O-CB 3.29Å; E639-S643 WeakPolarHBondContact O-CB 3.16Å; E639-S643 PolarHBondContact O-N 2.73Å; E639-S643 PolarHBondContact O-OG 2.65Å; S643-K645 PolarHBondContact O-N 3.23Å; S643-T646 PolarHBondContact O-N 3.06Å; S643-Q647 PolarHBondContact O-N 3.45Å
644	S	65.7	Low	66.5	Low	74 Å²	74	105 Å²	105	52%	0.517	55%	0.553	S	S	.	*	H	α-helix	trans	-68.1	-31.4	177.8	71.6	0	0	0	0	113.5	L640 E641 E642 T646	L640-S644 WeakPolarHBondContact O-CB 3.43Å; L640-S644 PolarHBondContact O-N 3.24Å; L640-S644 PolarHBondContact O-OG 3.42Å; E641-S644 WeakPolarHBondContact CA-OG 3.16Å; E641-S644 PolarHBondContact O-N 3.3Å; E641-S644 PolarHBondContact O-OG 3.1Å; E642-S644 VanDerWaalsContact C-N 3.32Å; E642-S644 PolarHBondContact O-N 3.26Å; S644-T646 VanDerWaalsContact C-N 3.34Å
645	K	64	Low	64.9	Low	136 Å²	136	107 Å²	107	59%	0.591	56%	0.564	S	S	*	*	H	α-helix	trans	-70.9	-29.6	173.7	-71.7	170	-175	163.4	0	112.5	E641 E642 S643	E641-K645 WeakPolarHBondContact O-CG 3.43Å; E641-K645 PolarHBondContact O-N 3.21Å; E641-K645 WeakPolarHBondContact OE1-CE 3.34Å; E641-K645 IonicContact OE1-NZ 3.86Å; E641-K645 PolarHBondContact OE1-NZ 3.12Å; E642-K645 PolarHBondContact O-N 2.85Å; S643-K645 PolarHBondContact O-N 3.23Å
646	T	60.4	Low	63.9	Low	120 Å²	120	106.1 Å²	106.1	74%	0.736	56%	0.559	S	S	*	*	H	α-helix	trans	-85.4	-22.4	-176.8	-39.7	0	0	0	0	112.5	E642 S643 S644	E642-T646 PolarHBondContact O-N 3.4Å; E642-T646 PolarHBondContact O-OG1 2.96Å; S643-T646 PolarHBondContact O-N 3.06Å; S644-T646 VanDerWaalsContact C-N 3.34Å
647	Q	53.5	Low	63.4	Low	143 Å²	143	106.1 Å²	106.1	67%	0.668	56%	0.56	S	S	*	*			trans	-111.4	44.4	-179.4	-64.2	-174.8	-9.5	0	0	112.8	S643 S649	S643-Q647 PolarHBondContact O-N 3.45Å; Q647-S649 PolarHBondContact O-N 3.37Å
648	A	45.8	Very low	63.2	Low	86 Å²	86	105 Å²	105	71%	0.711	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69	28.1	-170.6	0	0	0	0	0	116.5
649	S	42.7	Very low	63	Low	123 Å²	123	100.1 Å²	100.1	86%	0.86	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-138	2.7	-172	-37.9	0	0	0	0	116.8	Q647	Q647-S649 PolarHBondContact O-N 3.37Å
650	S	39.2	Very low	62.8	Low	97 Å²	97	97.8 Å²	97.8	68%	0.678	54%	0.544	S	S	*	.	S	Bend	trans	-138.7	131.3	176.8	57.7	0	0	0	0	111.3
651	E	40	Very low	62.9	Low	174 Å²	174	96.4 Å²	96.4	81%	0.813	54%	0.536	S	S	*	.			trans	-15.9	128.1	-178.2	-77.6	175.8	117.6	0	0	117.3	Q653	E651-Q653 VanDerWaalsContact C-N 3.33Å; E651-Q653 PolarHBondContact O-N 2.85Å
652	T	36.3	Very low	63.2	Low	140 Å²	140	96.3 Å²	96.3	86%	0.859	54%	0.536	S	S	*	.			trans	-59.6	76.8	-175.7	-29.3	0	0	0	0	113	R654	T652-R654 PolarHBondContact O-N 2.98Å
653	Q	44.8	Very low	63.3	Low	169 Å²	169	92 Å²	92	79%	0.79	52%	0.517	S	S	*	.			trans	-69.9	91.3	155.9	-83	-172.4	5	0	0	107.4	E651 L655	E651-Q653 VanDerWaalsContact C-N 3.33Å; E651-Q653 PolarHBondContact O-N 2.85Å; Q653-L655 VanDerWaalsContact C-N 3.29Å; Q653-L655 PolarHBondContact O-N 2.68Å
654	R	53.8	Low	63.4	Low	192 Å²	192	90.3 Å²	90.3	73%	0.725	51%	0.509	S	S	*	.			trans	-57.7	97.9	166.2	-158.8	179.8	-164.9	168.9	2.1	106.6	T652 D656	T652-R654 PolarHBondContact O-N 2.98Å; R654-D656 PolarHBondContact O-N 2.69Å
655	L	57.2	Low	63.8	Low	111 Å²	111	92.8 Å²	92.8	58%	0.581	53%	0.526	S	S	*	.			trans	-67.2	103.4	178.3	-74	163.7	0	0	0	106.3	L640 Q653 P657	L640-L655 HydrophobicContact CD1-CB 4.3Å; L640-L655 HydrophobicContact CD2-CB 3.85Å; L640-L655 HydrophobicContact CD2-CD1 3.53Å; L640-L655 HydrophobicContact CD2-CG 4.3Å; Q653-L655 VanDerWaalsContact C-N 3.29Å; Q653-L655 PolarHBondContact O-N 2.68Å; L655-P657 WeakPolarHBondContact O-CD 3.3Å
656	D	70.4	Confident	64.5	Low	53 Å²	53	90 Å²	90	28%	0.283	52%	0.523	S	S	.	.			trans	-90.1	89.8	174.3	-65.3	-24	0	0	0	107.5	R654 L658 A659	R654-D656 PolarHBondContact O-N 2.69Å; D656-L658 PolarHBondContact O-N 2.9Å; D656-A659 HydrophobicContact CB-CB 3.68Å; D656-A659 PolarHBondContact O-N 2.69Å; D656-A659 VanDerWaalsContact O-N 3.08Å
657	P	78.5	Confident	65.6	Low	30 Å²	30	91.3 Å²	91.3	20%	0.195	52%	0.519	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.8	-169.7	25.1	-35.1	0	0	0	112.2	V636 Y637 L640 L655	V636-P657 HydrophobicContact CG1-CB 4.22Å; V636-P657 HydrophobicContact CG1-CG 4.47Å; Y637-P657 HydrophobicContact CD1-CG 4.16Å; Y637-P657 HydrophobicContact CE1-CG 3.46Å; Y637-P657 VanDerWaalsContact CE1-CG 3.46Å; L640-P657 HydrophobicContact CD1-CB 4.23Å; L640-P657 HydrophobicContact CD1-CG 3.98Å; L655-P657 WeakPolarHBondContact O-CD 3.3Å
658	L	83.6	Confident	67.1	Low	0 Å²	0	91.5 Å²	91.5	0%	0	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	-17.8	-177.3	-55.8	-175.3	0	0	0	113.8	I623 Y627 L633 Y637 D656 A660 I661 I677 D678	I623-L658 HydrophobicContact CG2-CD2 4.16Å; Y627-L658 HydrophobicContact CD2-CD2 3.95Å; Y627-L658 HydrophobicContact CE2-CD2 3.65Å; L633-L658 HydrophobicContact CD1-CD1 4.33Å; L633-L658 HydrophobicContact CD1-CD2 3.92Å; L633-L658 HydrophobicContact CD1-CG 4.36Å; L633-L658 HydrophobicContact CD2-CD1 4.36Å; Y637-L658 WeakPolarHBondContact OH-CD1 3.42Å; D656-L658 PolarHBondContact O-N 2.9Å; L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.1Å; L658-I661 HydrophobicContact CB-CD1 4.24Å; L658-I661 HydrophobicContact CD2-CD1 3.56Å; L658-I661 PolarHBondContact O-N 3.15Å; L658-I677 HydrophobicContact CD1-CB 3.97Å; L658-I677 HydrophobicContact CD1-CD1 4.39Å; L658-I677 HydrophobicContact CD1-CG2 3.45Å; L658-I677 VanDerWaalsContact CD1-CG2 3.45Å; L658-D678 WeakPolarHBondContact CD1-OD1 3.26Å
659	A	82.5	Confident	69	Low	24 Å²	24	91.4 Å²	91.4	20%	0.198	50%	0.501	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-36.1	-171.9	0	0	0	0	0	113.1	D656 G671 S674	D656-A659 HydrophobicContact CB-CB 3.68Å; D656-A659 PolarHBondContact O-N 2.69Å; D656-A659 VanDerWaalsContact O-N 3.08Å; A659-G671 PolarHBondContact O-N 3.12Å; A659-S674 WeakPolarHBondContact CA-OG 3.12Å; A659-S674 WeakPolarHBondContact CB-OG 3.37Å
660	A	82.8	Confident	71	Confident	72 Å²	72	85.8 Å²	85.8	60%	0.595	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.4	-176.6	0	0	0	0	0	114	L658 Q662	L658-A660 VanDerWaalsContact C-N 3.34Å; L658-A660 PolarHBondContact O-N 3.1Å; A660-Q662 PolarHBondContact O-N 2.8Å
661	I	84.9	Confident	73.1	Confident	16 Å²	16	82.6 Å²	82.6	8%	0.082	44%	0.443	C	S	.	.			trans	-63	127.1	-178.1	-61	175.6	0	0	0	109.5	E622 I623 L626 Y627 L658 N669 I670	E622-I661 HydrophobicContact CB-CG2 3.65Å; I623-I661 HydrophobicContact CG1-CD1 4.05Å; L626-I661 HydrophobicContact CD1-CD1 3.8Å; L626-I661 HydrophobicContact CD1-CG1 3.82Å; Y627-I661 HydrophobicContact CE2-CD1 4.38Å; L658-I661 HydrophobicContact CB-CD1 4.24Å; L658-I661 HydrophobicContact CD2-CD1 3.56Å; L658-I661 PolarHBondContact O-N 3.15Å; I661-N669 CarbonylContact O-C 3.5Å; I661-N669 VanDerWaalsContact O-CA 3.28Å; I661-N669 WeakPolarHBondContact O-CA 3.37Å; I661-I670 HydrophobicContact CB-CD1 3.73Å; I661-I670 HydrophobicContact CB-CG1 4.17Å; I661-I670 HydrophobicContact CD1-CD1 4.42Å; I661-I670 HydrophobicContact CG2-CD1 3.85Å; I661-I670 HydrophobicContact CG2-CG1 4.41Å; I661-I670 WeakPolarHBondContact O-CG1 3.46Å; I661-I670 PolarHBondContact O-N 3.47Å
662	Q	85.6	Confident	75.1	Confident	100 Å²	100	80.7 Å²	80.7	47%	0.467	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	137.5	-180	-71.1	-178.4	-10.6	0	0	110.8	E622 A660 K667 N669	E622-Q662 WeakPolarHBondContact CG-O 3.28Å; A660-Q662 PolarHBondContact O-N 2.8Å; Q662-K667 HydrophobicContact CB-CB 4.2Å; Q662-N669 VanDerWaalsContact CG-OD1 3.31Å; Q662-N669 WeakPolarHBondContact CG-OD1 3.31Å
663	S	81.9	Confident	77.3	Confident	9 Å²	9	75.3 Å²	75.3	6%	0.063	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	149.3	-176.3	61.1	0	0	0	0	113.5	R619 R668	R619-S663 WeakPolarHBondContact CG-OG 3.34Å; S663-R668 PolarHBondContact N-O 2.87Å; S663-R668 PolarHBondContact O-N 3.11Å; S663-R668 PolarHBondContact OG-O 2.69Å
664	G	77	Confident	79.3	Confident	27 Å²	27	67.3 Å²	67.3	28%	0.278	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	178.7	175.7	0	0	0	0	0	114.5	C666 K667	G664-C666 PolarHBondContact O-N 3.21Å; G664-C666 VanDerWaalsContact O-N 3.14Å; G664-K667 PolarHBondContact O-N 3.16Å
665	S	76	Confident	80.8	Confident	126 Å²	126	62.8 Å²	62.8	88%	0.881	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-25.3	-176.8	58.9	0	0	0	0	114.4
666	C	78	Confident	82.2	Confident	78 Å²	78	62.1 Å²	62.1	53%	0.527	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	6	177.6	-61.8	0	0	0	0	113.5	G664 R668	G664-C666 PolarHBondContact O-N 3.21Å; G664-C666 VanDerWaalsContact O-N 3.14Å; C666-R668 VanDerWaalsContact C-N 3.28Å; C666-R668 HydrophobicContact CB-CG 3.93Å; C666-R668 PolarHBondContact O-N 3.27Å
667	K	83	Confident	83.1	Confident	147 Å²	147	59.6 Å²	59.6	64%	0.639	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.1	48.1	-178.5	-64.1	-169	175.5	-170.4	0	113.6	Q662 G664	Q662-K667 HydrophobicContact CB-CB 4.2Å; G664-K667 PolarHBondContact O-N 3.16Å
668	R	84.3	Confident	83.5	Confident	147 Å²	147	58.7 Å²	58.7	56%	0.555	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.9	133.8	-177.7	-65.1	-178.5	-168.8	148.1	6	110	S663 C666	S663-R668 PolarHBondContact N-O 2.87Å; S663-R668 PolarHBondContact O-N 3.11Å; S663-R668 PolarHBondContact OG-O 2.69Å; C666-R668 VanDerWaalsContact C-N 3.28Å; C666-R668 HydrophobicContact CB-CG 3.93Å; C666-R668 PolarHBondContact O-N 3.27Å
669	N	87	Confident	83.6	Confident	85 Å²	85	63.4 Å²	63.4	46%	0.455	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	145.8	173	-64.2	9.2	0	0	0	110.6	I661 Q662 G671	I661-N669 CarbonylContact O-C 3.5Å; I661-N669 VanDerWaalsContact O-CA 3.28Å; I661-N669 WeakPolarHBondContact O-CA 3.37Å; Q662-N669 VanDerWaalsContact CG-OD1 3.31Å; Q662-N669 WeakPolarHBondContact CG-OD1 3.31Å; N669-G671 PolarHBondContact O-N 3.39Å
670	I	84.8	Confident	83.9	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.026	36%	0.357	C	S	.	.			trans	-60.3	-40.5	171.5	-66.3	-178.7	0	0	0	109.3	I615 R619 I623 I661 V673	I615-I670 HydrophobicContact CD1-CG2 4.26Å; R619-I670 HydrophobicContact CG-CG1 4.42Å; I623-I670 HydrophobicContact CD1-CD1 3.81Å; I623-I670 HydrophobicContact CG1-CD1 3.65Å; I661-I670 HydrophobicContact CB-CD1 3.73Å; I661-I670 HydrophobicContact CB-CG1 4.17Å; I661-I670 HydrophobicContact CD1-CD1 4.42Å; I661-I670 HydrophobicContact CG2-CD1 3.85Å; I661-I670 HydrophobicContact CG2-CG1 4.41Å; I661-I670 WeakPolarHBondContact O-CG1 3.46Å; I661-I670 PolarHBondContact O-N 3.47Å; I670-V673 HydrophobicContact CG2-CB 4.02Å
671	G	83.1	Confident	84.1	Confident	29 Å²	29	64.6 Å²	64.6	30%	0.299	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	-147	178.3	0	0	0	0	0	111.3	A659 N669 V673 S674	A659-G671 PolarHBondContact O-N 3.12Å; N669-G671 PolarHBondContact O-N 3.39Å; G671-V673 PolarHBondContact O-N 3.17Å; G671-S674 WeakPolarHBondContact O-CB 3.26Å; G671-S674 PolarHBondContact O-N 3.34Å; G671-S674 PolarHBondContact O-OG 2.82Å
672	K	81.7	Confident	84.1	Confident	135 Å²	135	67.2 Å²	67.2	59%	0.587	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51	-15.8	-173.7	-60.3	-169.3	174.4	-167.4	0	117.3	S674 E675	K672-S674 PolarHBondContact O-N 3.44Å; K672-E675 WeakPolarHBondContact O-CB 3.49Å; K672-E675 PolarHBondContact O-N 2.89Å
673	V	83	Confident	83.9	Confident	27 Å²	27	64 Å²	64	16%	0.164	34%	0.341	C	S	.	.	H	α-helix	trans	-67.9	-26.3	175.2	-171.2	0	0	0	0	110.6	I615 I670 G671 E675 N676	I615-V673 HydrophobicContact CD1-CB 4.31Å; I615-V673 HydrophobicContact CD1-CG1 3.5Å; I615-V673 HydrophobicContact CG1-CG1 3.79Å; I670-V673 HydrophobicContact CG2-CB 4.02Å; G671-V673 PolarHBondContact O-N 3.17Å; V673-E675 VanDerWaalsContact C-N 3.32Å; V673-E675 PolarHBondContact O-N 2.88Å; V673-N676 PolarHBondContact O-N 3.47Å
674	S	87	Confident	83.8	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.007	38%	0.381	C	S	.	.	H	α-helix	trans	-57.7	-43.7	172.4	59.7	0	0	0	0	111.6	A659 G671 K672 N676 I677 D678	A659-S674 WeakPolarHBondContact CA-OG 3.12Å; A659-S674 WeakPolarHBondContact CB-OG 3.37Å; G671-S674 WeakPolarHBondContact O-CB 3.26Å; G671-S674 PolarHBondContact O-N 3.34Å; G671-S674 PolarHBondContact O-OG 2.82Å; K672-S674 PolarHBondContact O-N 3.44Å; S674-N676 PolarHBondContact O-N 3.46Å; S674-I677 CarbonylContact O-C 3.52Å; S674-I677 WeakPolarHBondContact O-CA 3.43Å; S674-I677 WeakPolarHBondContact O-CB 3.11Å; S674-I677 PolarHBondContact O-N 3.01Å; S674-D678 VanDerWaalsContact C-OD2 3.31Å; S674-D678 PolarHBondContact O-N 2.87Å; S674-D678 VanDerWaalsContact O-OD1 3.11Å
675	E	84.9	Confident	84	Confident	96 Å²	96	77.4 Å²	77.4	45%	0.449	40%	0.403	S	S	.	.	H	α-helix	trans	-52.3	-36.3	-176.3	-62.7	172.2	-157.6	0	0	112.5	K672 V673 H679	K672-E675 WeakPolarHBondContact O-CB 3.49Å; K672-E675 PolarHBondContact O-N 2.89Å; V673-E675 VanDerWaalsContact C-N 3.32Å; V673-E675 PolarHBondContact O-N 2.88Å; E675-H679 WeakPolarHBondContact O-CB 3.03Å; E675-H679 PolarHBondContact O-N 2.97Å
676	N	85.8	Confident	84.1	Confident	98 Å²	98	77.4 Å²	77.4	52%	0.524	40%	0.399	S	S	.	.	H	α-helix	trans	-72.5	-36.2	177.1	-68.7	-26.8	0	0	0	112.9	F612 V673 S674 F680	F612-N676 HydrophobicContact CD1-CB 4.49Å; V673-N676 PolarHBondContact O-N 3.47Å; S674-N676 PolarHBondContact O-N 3.46Å; N676-F680 WeakPolarHBondContact O-CB 3.27Å; N676-F680 PolarHBondContact O-N 3.31Å; N676-F680 VanDerWaalsContact O-N 3.08Å
677	I	88.9	Confident	84.2	Confident	0 Å²	0	78.7 Å²	78.7	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-71.4	-47.5	177.1	-60.2	173.4	0	0	0	109	L609 F612 I615 I623 L658 S674 H679 F680 F681	L609-I677 HydrophobicContact CD2-CD1 4.3Å; L609-I677 HydrophobicContact CD2-CG2 4.29Å; F612-I677 HydrophobicContact CB-CG1 4.42Å; F612-I677 HydrophobicContact CD1-CG1 3.92Å; F612-I677 HydrophobicContact CD2-CG1 4.18Å; F612-I677 HydrophobicContact CE1-CG1 4.17Å; F612-I677 HydrophobicContact CE2-CG1 4.4Å; F612-I677 HydrophobicContact CG-CG1 3.92Å; F612-I677 HydrophobicContact CZ-CG1 4.4Å; I615-I677 HydrophobicContact CD1-CD1 3.76Å; I615-I677 HydrophobicContact CG1-CD1 3.91Å; I623-I677 HydrophobicContact CD1-CD1 4.08Å; L658-I677 HydrophobicContact CD1-CB 3.97Å; L658-I677 HydrophobicContact CD1-CD1 4.39Å; L658-I677 HydrophobicContact CD1-CG2 3.45Å; L658-I677 VanDerWaalsContact CD1-CG2 3.45Å; S674-I677 CarbonylContact O-C 3.52Å; S674-I677 WeakPolarHBondContact O-CA 3.43Å; S674-I677 WeakPolarHBondContact O-CB 3.11Å; S674-I677 PolarHBondContact O-N 3.01Å; I677-H679 VanDerWaalsContact C-N 3.34Å; I677-H679 PolarHBondContact O-N 3.45Å; I677-F680 WeakPolarHBondContact O-CB 3.37Å; I677-F680 PolarHBondContact O-N 3.48Å; I677-F680 VanDerWaalsContact O-N 3.1Å; I677-F681 HydrophobicContact CG2-CD2 3.69Å; I677-F681 HydrophobicContact CG2-CE2 3.71Å; I677-F681 VanDerWaalsContact O-CD2 3.3Å; I677-F681 WeakPolarHBondContact O-CD2 3.24Å; I677-F681 PolarHBondContact O-N 3.45Å
678	D	87.2	Confident	83.7	Confident	11 Å²	11	77.2 Å²	77.2	6%	0.059	41%	0.405	C	S	.	.	H	α-helix	trans	-56	-52	177.3	-51.6	-16.1	0	0	0	108.8	Y637 L658 S674 F680 F681 T682	Y637-D678 HydrophobicContact CE1-CB 4.27Å; Y637-D678 WeakPolarHBondContact OH-CA 3.21Å; Y637-D678 PolarHBondContact OH-OD1 3.48Å; L658-D678 WeakPolarHBondContact CD1-OD1 3.26Å; S674-D678 VanDerWaalsContact C-OD2 3.31Å; S674-D678 PolarHBondContact O-N 2.87Å; S674-D678 VanDerWaalsContact O-OD1 3.11Å; D678-F680 VanDerWaalsContact C-N 3.31Å; D678-F680 PolarHBondContact O-N 2.83Å; D678-F681 PolarHBondContact O-N 3.37Å; D678-T682 WeakPolarHBondContact O-CB 3.47Å; D678-T682 WeakPolarHBondContact O-CG2 3.48Å; D678-T682 PolarHBondContact O-N 2.69Å; D678-T682 PolarHBondContact O-OG1 2.98Å
679	H	86	Confident	82.2	Confident	99 Å²	99	79.3 Å²	79.3	46%	0.458	44%	0.442	S	S	.	.	H	α-helix	trans	-58.4	-38.8	175.8	-177.3	56.9	0	0	0	113.5	E675 I677 S683	E675-H679 WeakPolarHBondContact O-CB 3.03Å; E675-H679 PolarHBondContact O-N 2.97Å; I677-H679 VanDerWaalsContact C-N 3.34Å; I677-H679 PolarHBondContact O-N 3.45Å; H679-S683 WeakPolarHBondContact O-CB 3.43Å; H679-S683 PolarHBondContact O-N 3.02Å
680	F	88.5	Confident	82	Confident	85 Å²	85	79.1 Å²	79.1	37%	0.373	44%	0.441	S	S	.	.	H	α-helix	trans	-66.3	-38.4	179.7	-179.2	-93	0	0	0	112.7	F612 N676 I677 D678 F687	F612-F680 HydrophobicContact CE1-CB 3.73Å; F612-F680 HydrophobicContact CE1-CD1 4.5Å; F612-F680 HydrophobicContact CE1-CD2 4.42Å; F612-F680 AromaticContact CE1-CG 3.98Å; F612-F680 HydrophobicContact CE1-CG 3.98Å; F612-F680 HydrophobicContact CZ-CB 3.72Å; F612-F680 AromaticContact CZ-CD1 3.69Å; F612-F680 HydrophobicContact CZ-CD1 3.69Å; F612-F680 HydrophobicContact CZ-CD2 4.23Å; F612-F680 HydrophobicContact CZ-CE1 4.36Å; F612-F680 AromaticContact CZ-CG 3.61Å; F612-F680 HydrophobicContact CZ-CG 3.61Å; N676-F680 WeakPolarHBondContact O-CB 3.27Å; N676-F680 PolarHBondContact O-N 3.31Å; N676-F680 VanDerWaalsContact O-N 3.08Å; I677-F680 WeakPolarHBondContact O-CB 3.37Å; I677-F680 PolarHBondContact O-N 3.48Å; I677-F680 VanDerWaalsContact O-N 3.1Å; D678-F680 VanDerWaalsContact C-N 3.31Å; D678-F680 PolarHBondContact O-N 2.83Å; F680-F687 HydrophobicContact CB-CZ 4.38Å; F680-F687 HydrophobicContact CD2-CD2 4.31Å; F680-F687 HydrophobicContact CD2-CE1 4.04Å; F680-F687 AromaticContact CD2-CE2 3.77Å; F680-F687 HydrophobicContact CD2-CE2 3.77Å; F680-F687 AromaticContact CD2-CZ 3.64Å; F680-F687 HydrophobicContact CD2-CZ 3.64Å; F680-F687 HydrophobicContact CE2-CD2 4.12Å; F680-F687 AromaticContact CE2-CE2 3.79Å; F680-F687 HydrophobicContact CE2-CE2 3.79Å; F680-F687 HydrophobicContact CE2-CZ 4.17Å; F680-F687 HydrophobicContact CG-CZ 4.14Å; F680-F687 VanDerWaalsContact O-CZ 3.29Å; F680-F687 WeakPolarHBondContact O-CZ 3.24Å
681	F	87.1	Confident	81.9	Confident	36 Å²	36	82.9 Å²	82.9	16%	0.158	46%	0.463	C	S	.	.	H	α-helix	trans	-87.5	-18.1	-179.2	-71.7	-68.1	0	0	0	113.8	F605 V630 L633 Y637 I677 D678	F605-F681 HydrophobicContact CE2-CE2 4.33Å; F605-F681 AromaticContact CE2-CZ 3.95Å; F605-F681 HydrophobicContact CE2-CZ 3.95Å; V630-F681 HydrophobicContact CG1-CD1 4.14Å; V630-F681 HydrophobicContact CG1-CE1 3.64Å; V630-F681 HydrophobicContact CG1-CZ 4.45Å; V630-F681 HydrophobicContact CG2-CE1 4.48Å; L633-F681 HydrophobicContact CD2-CD2 3.7Å; L633-F681 HydrophobicContact CD2-CE2 3.83Å; L633-F681 HydrophobicContact CD2-CG 4.32Å; Y637-F681 HydrophobicContact CD2-CB 3.99Å; Y637-F681 HydrophobicContact CE2-CB 3.65Å; Y637-F681 HydrophobicContact CE2-CG 4.42Å; I677-F681 HydrophobicContact CG2-CD2 3.69Å; I677-F681 HydrophobicContact CG2-CE2 3.71Å; I677-F681 VanDerWaalsContact O-CD2 3.3Å; I677-F681 WeakPolarHBondContact O-CD2 3.24Å; I677-F681 PolarHBondContact O-N 3.45Å; D678-F681 PolarHBondContact O-N 3.37Å
682	T	84.8	Confident	81.8	Confident	70 Å²	70	85.9 Å²	85.9	43%	0.429	47%	0.472	S	S	.	.	H	α-helix	trans	-104.3	-13.6	179.5	69.3	0	0	0	0	114.7	Y637 D678 V684	Y637-T682 HydrophobicContact CD1-CG2 3.75Å; Y637-T682 HydrophobicContact CD2-CG2 4.07Å; Y637-T682 HydrophobicContact CE1-CG2 4.2Å; Y637-T682 HydrophobicContact CE2-CG2 4.47Å; Y637-T682 HydrophobicContact CG-CG2 3.72Å; D678-T682 WeakPolarHBondContact O-CB 3.47Å; D678-T682 WeakPolarHBondContact O-CG2 3.48Å; D678-T682 PolarHBondContact O-N 2.69Å; D678-T682 PolarHBondContact O-OG1 2.98Å; T682-V684 PolarHBondContact O-N 2.72Å
683	S	82.6	Confident	81.8	Confident	32 Å²	32	83.1 Å²	83.1	22%	0.224	47%	0.465	C	S	.	.			trans	-71	123	-176.9	179.1	0	0	0	0	111.9	H679 K685	H679-S683 WeakPolarHBondContact O-CB 3.43Å; H679-S683 PolarHBondContact O-N 3.02Å; S683-K685 VanDerWaalsContact C-N 3.34Å; S683-K685 PolarHBondContact OG-N 2.95Å; S683-K685 PolarHBondContact OG-O 2.91Å; S683-K685 VanDerWaalsContact OG-O 3.08Å
684	V	79.6	Confident	81.7	Confident	149 Å²	149	86.6 Å²	86.6	90%	0.903	48%	0.484	S	S	*	.			trans	-80.4	-19.3	170.1	-170.7	0	0	0	0	111.5	T682	T682-V684 PolarHBondContact O-N 2.72Å
685	K	80	Confident	81.4	Confident	170 Å²	170	92.3 Å²	92.3	74%	0.739	52%	0.516	S	S	*	.	S	Bend	trans	-79.2	139.5	179.7	-66.3	-177	-179	179.6	0	110.4	S683 F687	S683-K685 VanDerWaalsContact C-N 3.34Å; S683-K685 PolarHBondContact OG-N 2.95Å; S683-K685 PolarHBondContact OG-O 2.91Å; S683-K685 VanDerWaalsContact OG-O 3.08Å; K685-F687 PolarHBondContact O-N 3.32Å
686	P	79.7	Confident	81.1	Confident	125 Å²	125	92 Å²	92	81%	0.812	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-61	138.3	173.5	26	-33.2	0	0	0	110.3
687	F	78.8	Confident	80.8	Confident	105 Å²	105	91.5 Å²	91.5	46%	0.461	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-71.1	129.4	177.4	-59.7	-71.9	0	0	0	110.1	F680 K685	F680-F687 HydrophobicContact CB-CZ 4.38Å; F680-F687 HydrophobicContact CD2-CD2 4.31Å; F680-F687 HydrophobicContact CD2-CE1 4.04Å; F680-F687 AromaticContact CD2-CE2 3.77Å; F680-F687 HydrophobicContact CD2-CE2 3.77Å; F680-F687 AromaticContact CD2-CZ 3.64Å; F680-F687 HydrophobicContact CD2-CZ 3.64Å; F680-F687 HydrophobicContact CE2-CD2 4.12Å; F680-F687 AromaticContact CE2-CE2 3.79Å; F680-F687 HydrophobicContact CE2-CE2 3.79Å; F680-F687 HydrophobicContact CE2-CZ 4.17Å; F680-F687 HydrophobicContact CG-CZ 4.14Å; F680-F687 VanDerWaalsContact O-CZ 3.29Å; F680-F687 WeakPolarHBondContact O-CZ 3.24Å; K685-F687 PolarHBondContact O-N 3.32Å
688	S	73.6	Confident	80.1	Confident	117 Å²	117	99.2 Å²	99.2	82%	0.818	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-70	130	172.4	58.8	0	0	0	0	110.3
689	S	53.1	Low	79.4	Confident	191 Å²	191	107.2 Å²	107.2	100%	1.336	61%	0.61	S	S	*	*			trans	-63.6	0	176.9	57.6	0	0	0	0	114.4

Retrieved 689 of 689 residues in 874.8 ms (Link to these results)

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