A0A060XCI4_ONCMY Loading...

Gamma-aminobutyric acid type A receptor subunit alpha4

AlphaFold DB , UniProt , Accession A0A060XCI4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 555 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	32.8	Very low	37.2	Very low	234 Å²	234	145.2 Å²	145.2	100%	1.153	81%	0.809	S	S	*	*				0	132.2	0	-169.5	177.7	-178.6	0	0	106.6
2	V	36.5	Very low	37.5	Very low	139 Å²	139	145.8 Å²	145.8	84%	0.842	81%	0.805	S	S	*	*			trans	66.2	159.9	-173.5	-162.2	0	0	0	0	114.3
3	S	29.9	Very low	38.2	Very low	102 Å²	102	147.5 Å²	147.5	71%	0.713	79%	0.793	S	S	*	*				-172.5	140.5	-69.5	-175.1	0	0	0	0	110.4
4	A	35.1	Very low	39.4	Very low	93 Å²	93	144.7 Å²	144.7	77%	0.769	79%	0.787	S	S	*	*			trans	61	166	162.4	0	0	0	0	0	117.3
5	K	33	Very low	40.4	Very low	175 Å²	175	139.5 Å²	139.5	76%	0.761	77%	0.765	S	S	*	*			cis	-140.1	169.3	-10.7	-148.1	-165	177.6	-154.6	0	109.2	E7	K5-E7 WeakPolarHBondContact CE-OE1 3.49Å; K5-E7 IonicContact NZ-OE1 2.65Å; K5-E7 PolarHBondContact NZ-OE1 3.49Å; K5-E7 IonicContact NZ-OE2 3.83Å
6	K	45.2	Very low	41.2	Very low	198 Å²	198	142.1 Å²	142.1	86%	0.861	76%	0.762	S	S	*	*			trans	-127.1	117	-175.2	179.1	-172.1	-177.5	-176.8	0	110.9
7	E	33	Very low	42.4	Very low	151 Å²	151	141.3 Å²	141.3	71%	0.706	76%	0.756	S	S	*	*			trans	-171.3	156.4	174.2	-100.2	149	-113.9	0	0	107.6	K5	K5-E7 WeakPolarHBondContact CE-OE1 3.49Å; K5-E7 IonicContact NZ-OE1 2.65Å; K5-E7 PolarHBondContact NZ-OE1 3.49Å; K5-E7 IonicContact NZ-OE2 3.83Å
8	M	32.6	Very low	43.5	Very low	161 Å²	161	137.2 Å²	137.2	79%	0.793	74%	0.74	S	S	*	*			cis	-156.1	136.9	-40.6	171.7	167.4	156.4	0	0	106.6	T10	M8-T10 PolarHBondContact O-N 3.25Å
9	V	42.1	Very low	44.7	Very low	143 Å²	143	133.9 Å²	133.9	87%	0.867	73%	0.725	S	S	*	*			trans	-79.8	115.8	179.9	177.8	0	0	0	0	110.3
10	T	39.2	Very low	45.9	Very low	105 Å²	105	133 Å²	133	64%	0.644	72%	0.719	S	S	*	*			trans	-120.3	107.2	173.9	-56.3	0	0	0	0	109.5	M8 M12	M8-T10 PolarHBondContact O-N 3.25Å; T10-M12 HydrophobicContact CG2-CG 4.38Å
11	A	49.9	Very low	47	Very low	96 Å²	96	133.6 Å²	133.6	79%	0.793	72%	0.715	S	S	*	*			trans	-78.4	132.3	173.8	0	0	0	0	0	110.5
12	M	40.2	Very low	48.8	Very low	153 Å²	153	130.3 Å²	130.3	75%	0.754	69%	0.691	S	S	*	*			trans	-126.1	108.9	173.2	-72.5	-162.1	74.6	0	0	112.8	T10	T10-M12 HydrophobicContact CG2-CG 4.38Å
13	Y	47.7	Very low	50.5	Low	168 Å²	168	129 Å²	129	66%	0.659	68%	0.679	S	S	*	*			trans	54.7	106.1	149.3	-74.3	-84.5	0	0	0	120.8	S15	Y13-S15 PolarHBondContact O-N 3.4Å
14	P	53.8	Low	52.4	Low	108 Å²	108	131.5 Å²	131.5	70%	0.701	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.7	-10.5	166.5	31.2	-35.5	0	0	0	113.7	Y16 I17 S18	P14-Y16 VanDerWaalsContact C-N 3.33Å; P14-Y16 PolarHBondContact O-N 2.81Å; P14-I17 PolarHBondContact O-N 3.08Å; P14-S18 PolarHBondContact O-N 3.06Å
15	S	54.8	Low	54.1	Low	66 Å²	66	129.8 Å²	129.8	46%	0.462	66%	0.659	S	S	.	*	H	α-helix	trans	-60.4	-36.3	-173.6	-49.5	0	0	0	0	114	Y13 I17 S18 T19	Y13-S15 PolarHBondContact O-N 3.4Å; S15-I17 PolarHBondContact O-N 3.5Å; S15-S18 PolarHBondContact O-N 3.06Å; S15-T19 PolarHBondContact O-N 3.17Å; S15-T19 PolarHBondContact O-OG1 3.48Å
16	Y	54.2	Low	55.8	Low	181 Å²	181	126.4 Å²	126.4	71%	0.71	65%	0.649	S	S	*	*	H	α-helix	trans	-71.7	-29.3	-175.2	-116.3	-81.3	0	0	0	113.7	P14 T19 L20	P14-Y16 VanDerWaalsContact C-N 3.33Å; P14-Y16 PolarHBondContact O-N 2.81Å; Y16-T19 PolarHBondContact O-OG1 3.33Å; Y16-T19 VanDerWaalsContact O-OG1 3.12Å; Y16-L20 WeakPolarHBondContact O-CB 3.19Å; Y16-L20 PolarHBondContact O-N 2.89Å
17	I	61.2	Low	56.9	Low	129 Å²	129	120.4 Å²	120.4	66%	0.662	63%	0.629	S	S	*	*	H	α-helix	trans	-74.6	-40.3	174.5	-60.2	175.4	0	0	0	109.4	P14 S15 L20 F21	P14-I17 PolarHBondContact O-N 3.08Å; S15-I17 PolarHBondContact O-N 3.5Å; I17-L20 PolarHBondContact O-N 3.2Å; I17-F21 WeakPolarHBondContact O-CB 3.25Å; I17-F21 PolarHBondContact O-N 3.09Å
18	S	62.2	Low	58.4	Low	67 Å²	67	115.5 Å²	115.5	47%	0.469	61%	0.614	S	S	.	*	H	α-helix	trans	-61.4	-44.9	176.3	-171.7	0	0	0	0	112.4	P14 S15 F21 Y22	P14-S18 PolarHBondContact O-N 3.06Å; S15-S18 PolarHBondContact O-N 3.06Å; S18-F21 PolarHBondContact O-N 3.34Å; S18-Y22 WeakPolarHBondContact O-CB 3.39Å; S18-Y22 PolarHBondContact O-N 3.15Å
19	T	66.5	Low	59.9	Low	75 Å²	75	111.2 Å²	111.2	46%	0.46	60%	0.599	S	S	.	*	H	α-helix	trans	-66.8	-39.6	177.7	52	0	0	0	0	112.8	S15 Y16 Y22 L23	S15-T19 PolarHBondContact O-N 3.17Å; S15-T19 PolarHBondContact O-OG1 3.48Å; Y16-T19 PolarHBondContact O-OG1 3.33Å; Y16-T19 VanDerWaalsContact O-OG1 3.12Å; T19-Y22 PolarHBondContact O-N 3.2Å; T19-L23 WeakPolarHBondContact O-CB 3.36Å; T19-L23 PolarHBondContact O-N 3.46Å
20	L	68.3	Low	60.9	Low	115 Å²	115	108.9 Å²	108.9	60%	0.602	59%	0.585	S	S	*	*	H	α-helix	trans	-62.4	-42.4	173	-105.4	148.9	0	0	0	112	Y16 I17 L23 F24	Y16-L20 WeakPolarHBondContact O-CB 3.19Å; Y16-L20 PolarHBondContact O-N 2.89Å; I17-L20 PolarHBondContact O-N 3.2Å; L20-L23 PolarHBondContact O-N 3.45Å; L20-F24 PolarHBondContact O-N 2.94Å
21	F	69.8	Low	61.7	Low	147 Å²	147	111.7 Å²	111.7	65%	0.645	59%	0.588	S	S	*	*	H	α-helix	trans	-66.5	-38.7	176.2	-148.1	-88.7	0	0	0	111.6	I17 S18 F24 C25	I17-F21 WeakPolarHBondContact O-CB 3.25Å; I17-F21 PolarHBondContact O-N 3.09Å; S18-F21 PolarHBondContact O-N 3.34Å; F21-F24 PolarHBondContact O-N 2.92Å; F21-C25 WeakPolarHBondContact O-CB 3.47Å; F21-C25 PolarHBondContact O-N 2.92Å; F21-C25 PolarHBondContact O-SG 3.47Å; F21-C25 VanDerWaalsContact O-SG 3.41Å
22	Y	70.2	Confident	62	Low	165 Å²	165	116.7 Å²	116.7	65%	0.647	59%	0.587	S	S	*	*	H	α-helix	trans	-62.6	-40.9	172	-107.7	-87	0	0	0	112.8	S18 T19 C25 L26	S18-Y22 WeakPolarHBondContact O-CB 3.39Å; S18-Y22 PolarHBondContact O-N 3.15Å; T19-Y22 PolarHBondContact O-N 3.2Å; Y22-C25 PolarHBondContact O-N 3.27Å; Y22-L26 VanDerWaalsContact O-CB 3.29Å; Y22-L26 WeakPolarHBondContact O-CB 3.41Å; Y22-L26 WeakPolarHBondContact O-CG 3.34Å; Y22-L26 PolarHBondContact O-N 2.92Å
23	L	70.8	Confident	62.7	Low	111 Å²	111	114.7 Å²	114.7	58%	0.581	58%	0.578	S	S	*	*	H	α-helix	trans	-66.1	-38.9	175	-104.1	153.6	0	0	0	112.4	T19 L20 L26 T27	T19-L23 WeakPolarHBondContact O-CB 3.36Å; T19-L23 PolarHBondContact O-N 3.46Å; L20-L23 PolarHBondContact O-N 3.45Å; L23-L26 PolarHBondContact O-N 2.93Å; L23-T27 WeakPolarHBondContact O-CB 3.42Å; L23-T27 WeakPolarHBondContact O-CG2 3.49Å; L23-T27 PolarHBondContact O-N 2.68Å; L23-T27 PolarHBondContact O-OG1 2.89Å
24	F	71.4	Confident	62.9	Low	154 Å²	154	110.7 Å²	110.7	68%	0.675	57%	0.574	S	S	*	*	H	α-helix	trans	-69.5	-41	175.4	-150.4	-92	0	0	0	111.5	L20 F21 T27 A28	L20-F24 PolarHBondContact O-N 2.94Å; F21-F24 PolarHBondContact O-N 2.92Å; F24-T27 PolarHBondContact O-OG1 3.49Å; F24-A28 WeakPolarHBondContact O-CB 3.42Å; F24-A28 PolarHBondContact O-N 3.42Å
25	C	70.1	Confident	62.8	Low	58 Å²	58	108.7 Å²	108.7	39%	0.392	57%	0.573	S	S	.	*	H	α-helix	trans	-64.4	-40.7	172.1	-77.1	0	0	0	0	112.6	F21 Y22 A28 C29	F21-C25 WeakPolarHBondContact O-CB 3.47Å; F21-C25 PolarHBondContact O-N 2.92Å; F21-C25 PolarHBondContact O-SG 3.47Å; F21-C25 VanDerWaalsContact O-SG 3.41Å; Y22-C25 PolarHBondContact O-N 3.27Å; C25-A28 PolarHBondContact O-N 3.31Å; C25-C29 VanDerWaalsContact O-CB 3.24Å; C25-C29 WeakPolarHBondContact O-CB 3.38Å; C25-C29 PolarHBondContact O-N 3.43Å; C25-C29 PolarHBondContact O-SG 2.84Å
26	L	69.1	Low	62.4	Low	104 Å²	104	110.9 Å²	110.9	55%	0.545	58%	0.584	S	S	.	*	H	α-helix	trans	-64.2	-47.3	175.4	-87.1	162.8	0	0	0	111.6	Y22 L23 C29 V30	Y22-L26 VanDerWaalsContact O-CB 3.29Å; Y22-L26 WeakPolarHBondContact O-CB 3.41Å; Y22-L26 WeakPolarHBondContact O-CG 3.34Å; Y22-L26 PolarHBondContact O-N 2.92Å; L23-L26 PolarHBondContact O-N 2.93Å; L26-C29 PolarHBondContact O-N 2.95Å; L26-V30 WeakPolarHBondContact O-CB 3.33Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.31Å
27	T	67.3	Low	62.1	Low	71 Å²	71	108.2 Å²	108.2	44%	0.436	58%	0.581	S	S	.	*	H	α-helix	trans	-68.4	-33.8	177.8	51.5	0	0	0	0	112.5	L23 F24 K31	L23-T27 WeakPolarHBondContact O-CB 3.42Å; L23-T27 WeakPolarHBondContact O-CG2 3.49Å; L23-T27 PolarHBondContact O-N 2.68Å; L23-T27 PolarHBondContact O-OG1 2.89Å; F24-T27 PolarHBondContact O-OG1 3.49Å; T27-K31 WeakPolarHBondContact O-CB 3.39Å; T27-K31 WeakPolarHBondContact O-CG 3.46Å; T27-K31 PolarHBondContact O-N 3.39Å
28	A	65.8	Low	61.4	Low	48 Å²	48	110.8 Å²	110.8	40%	0.397	59%	0.587	S	S	.	*	H	α-helix	trans	-65.6	-45.4	170.3	0	0	0	0	0	112	F24 C25 K31 R32	F24-A28 WeakPolarHBondContact O-CB 3.42Å; F24-A28 PolarHBondContact O-N 3.42Å; C25-A28 PolarHBondContact O-N 3.31Å; A28-K31 PolarHBondContact O-N 2.95Å; A28-R32 WeakPolarHBondContact O-CB 3.03Å; A28-R32 PolarHBondContact O-N 3.06Å
29	C	63.8	Low	60.4	Low	71 Å²	71	116.3 Å²	116.3	48%	0.48	60%	0.603	S	S	.	*	H	α-helix	trans	-64.3	-42.7	176.1	-77.9	0	0	0	0	112.2	C25 L26 K31 R32 I33	C25-C29 VanDerWaalsContact O-CB 3.24Å; C25-C29 WeakPolarHBondContact O-CB 3.38Å; C25-C29 PolarHBondContact O-N 3.43Å; C25-C29 PolarHBondContact O-SG 2.84Å; L26-C29 PolarHBondContact O-N 2.95Å; C29-K31 PolarHBondContact O-N 3.4Å; C29-R32 PolarHBondContact O-N 2.83Å; C29-R32 VanDerWaalsContact O-N 3.12Å; C29-I33 WeakPolarHBondContact O-CB 3.13Å; C29-I33 VanDerWaalsContact O-CG1 3.25Å; C29-I33 WeakPolarHBondContact O-CG1 3.46Å; C29-I33 PolarHBondContact O-N 3.27Å
30	V	62	Low	59.4	Low	94 Å²	94	119.7 Å²	119.7	57%	0.57	62%	0.618	S	S	*	*	H	α-helix	trans	-62.4	-41.6	174.5	169.7	0	0	0	0	110.9	L26 S34	L26-V30 WeakPolarHBondContact O-CB 3.33Å; L26-V30 VanDerWaalsContact O-CG2 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.44Å; L26-V30 PolarHBondContact O-N 3.31Å; V30-S34 WeakPolarHBondContact O-CB 3.24Å; V30-S34 PolarHBondContact O-N 3.19Å
31	K	57.4	Low	58.6	Low	164 Å²	164	121.2 Å²	121.2	71%	0.713	62%	0.622	S	S	*	*	H	α-helix	trans	-64.1	-37.1	171.3	-79.8	-176.5	175.1	-179.1	0	112.7	T27 A28 C29 G35	T27-K31 WeakPolarHBondContact O-CB 3.39Å; T27-K31 WeakPolarHBondContact O-CG 3.46Å; T27-K31 PolarHBondContact O-N 3.39Å; A28-K31 PolarHBondContact O-N 2.95Å; C29-K31 PolarHBondContact O-N 3.4Å; K31-G35 PolarHBondContact O-N 2.92Å
32	R	54.8	Low	57.6	Low	202 Å²	202	123.8 Å²	123.8	76%	0.762	63%	0.627	S	S	*	*	H	α-helix	trans	-68	-44.7	178	-143.7	175.5	-162.9	-176.7	4.6	111.6	A28 C29 G35 T36	A28-R32 WeakPolarHBondContact O-CB 3.03Å; A28-R32 PolarHBondContact O-N 3.06Å; C29-R32 PolarHBondContact O-N 2.83Å; C29-R32 VanDerWaalsContact O-N 3.12Å; R32-G35 PolarHBondContact O-N 2.99Å; R32-T36 PolarHBondContact O-N 3.36Å; R32-T36 VanDerWaalsContact O-N 3.09Å; R32-T36 PolarHBondContact O-OG1 3.23Å
33	I	55.2	Low	56.9	Low	110 Å²	110	120.2 Å²	120.2	56%	0.564	62%	0.619	S	S	*	*	H	α-helix	trans	-61.6	-48.1	174.3	-68.2	162.5	0	0	0	110.2	C29 G35 T36 I37	C29-I33 WeakPolarHBondContact O-CB 3.13Å; C29-I33 VanDerWaalsContact O-CG1 3.25Å; C29-I33 WeakPolarHBondContact O-CG1 3.46Å; C29-I33 PolarHBondContact O-N 3.27Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 3.27Å; I33-T36 CarbonylContact O-C 3.46Å; I33-T36 PolarHBondContact O-N 2.93Å; I33-T36 PolarHBondContact O-OG1 3.33Å; I33-I37 PolarHBondContact O-N 2.94Å
34	S	52.6	Low	56.1	Low	84 Å²	84	122 Å²	122	59%	0.587	62%	0.619	S	S	*	*	H	α-helix	trans	-61.5	-34.1	176.1	-171.3	0	0	0	0	112.6	V30 T36	V30-S34 WeakPolarHBondContact O-CB 3.24Å; V30-S34 PolarHBondContact O-N 3.19Å; S34-T36 VanDerWaalsContact C-N 3.33Å; S34-T36 PolarHBondContact O-N 3.42Å
35	G	51.3	Low	55.5	Low	66 Å²	66	118.9 Å²	118.9	68%	0.68	61%	0.614	S	S	*	*	H	α-helix	trans	-74.5	-14.6	173.6	0	0	0	0	0	115.2	K31 R32 I33	K31-G35 PolarHBondContact O-N 2.92Å; R32-G35 PolarHBondContact O-N 2.99Å; I33-G35 VanDerWaalsContact C-N 3.27Å; I33-G35 PolarHBondContact O-N 3.27Å
36	T	47.3	Very low	54.8	Low	112 Å²	112	123 Å²	123	69%	0.687	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.8	13.9	176	57.6	0	0	0	0	114.1	R32 I33 S34 K38	R32-T36 PolarHBondContact O-N 3.36Å; R32-T36 VanDerWaalsContact O-N 3.09Å; R32-T36 PolarHBondContact O-OG1 3.23Å; I33-T36 CarbonylContact O-C 3.46Å; I33-T36 PolarHBondContact O-N 2.93Å; I33-T36 PolarHBondContact O-OG1 3.33Å; S34-T36 VanDerWaalsContact C-N 3.33Å; S34-T36 PolarHBondContact O-N 3.42Å; T36-K38 PolarHBondContact O-N 3.46Å
37	I	46.7	Very low	54.7	Low	125 Å²	125	121.3 Å²	121.3	64%	0.641	62%	0.619	S	S	*	*			trans	-71.9	79.8	148.7	-54.4	-179.8	0	0	0	106.6	I33 K39	I33-I37 PolarHBondContact O-N 2.94Å; I37-K39 PolarHBondContact O-N 3.3Å
38	K	46	Very low	55.1	Low	183 Å²	183	121.4 Å²	121.4	80%	0.796	61%	0.613	S	S	*	*			trans	-50.9	132.3	146.3	-86.3	-173.8	173.5	-177.4	0	105.6	T36 D40	T36-K38 PolarHBondContact O-N 3.46Å; K38-D40 VanDerWaalsContact C-N 3.27Å; K38-D40 PolarHBondContact O-N 2.9Å
39	K	42.3	Very low	55.9	Low	184 Å²	184	122.9 Å²	122.9	80%	0.8	62%	0.618	S	S	*	*			trans	-60.9	104.4	154.2	-76.7	-177.9	176.4	179.4	0	105.7	I37 E41	I37-K39 PolarHBondContact O-N 3.3Å; K39-E41 PolarHBondContact O-N 2.88Å
40	D	44.8	Very low	56.9	Low	145 Å²	145	125.8 Å²	125.8	78%	0.775	62%	0.619	S	S	*	*			trans	-56.8	102.8	143.8	-82.3	-25.2	0	0	0	105	K38 R42	K38-D40 VanDerWaalsContact C-N 3.27Å; K38-D40 PolarHBondContact O-N 2.9Å; D40-R42 PolarHBondContact O-N 2.7Å
41	E	52.2	Low	58	Low	147 Å²	147	122.6 Å²	122.6	69%	0.687	60%	0.598	S	S	*	*			trans	-64.6	85	164.2	-69.3	-164.9	125.7	0	0	106.7	K39 I43	K39-E41 PolarHBondContact O-N 2.88Å; E41-I43 VanDerWaalsContact O-CG1 3.32Å; E41-I43 WeakPolarHBondContact O-CG1 3.48Å; E41-I43 PolarHBondContact O-N 2.73Å
42	R	48.9	Very low	59.2	Low	201 Å²	201	116.8 Å²	116.8	76%	0.758	58%	0.575	S	S	*	*			trans	-46.6	109.4	161.2	-71.4	-176.8	174.6	-170.3	-1.7	105.3	D40 Y44	D40-R42 PolarHBondContact O-N 2.7Å; R42-Y44 VanDerWaalsContact C-N 3.3Å; R42-Y44 WeakPolarHBondContact O-CD2 3.03Å; R42-Y44 WeakPolarHBondContact O-CE2 3.43Å; R42-Y44 PolarHBondContact O-N 2.8Å
43	I	54.4	Low	60.6	Low	91 Å²	91	112.2 Å²	112.2	47%	0.467	57%	0.565	S	S	.	*			trans	-71.4	92.6	-164.1	-46.7	-179.6	0	0	0	107.7	E41 F48 I114	E41-I43 VanDerWaalsContact O-CG1 3.32Å; E41-I43 WeakPolarHBondContact O-CG1 3.48Å; E41-I43 PolarHBondContact O-N 2.73Å; I43-F48 HydrophobicContact CB-CE2 4.11Å; I43-F48 HydrophobicContact CB-CZ 4.49Å; I43-F48 HydrophobicContact CG2-CD2 4.36Å; I43-F48 HydrophobicContact CG2-CE2 3.47Å; I43-F48 VanDerWaalsContact CG2-CE2 3.47Å; I43-F48 HydrophobicContact CG2-CZ 3.86Å; I43-I114 HydrophobicContact CG2-CD1 3.89Å; I43-I114 HydrophobicContact CG2-CG1 4.35Å
44	Y	54.9	Low	62.1	Low	148 Å²	148	115.5 Å²	115.5	58%	0.58	57%	0.57	S	S	*	*			trans	-61.3	131.8	-168.8	-73.5	-87	0	0	0	110.4	R42 E46 N47	R42-Y44 VanDerWaalsContact C-N 3.3Å; R42-Y44 WeakPolarHBondContact O-CD2 3.03Å; R42-Y44 WeakPolarHBondContact O-CE2 3.43Å; R42-Y44 PolarHBondContact O-N 2.8Å; Y44-E46 PolarHBondContact O-N 3.28Å; Y44-E46 VanDerWaalsContact O-N 3.17Å; Y44-N47 PolarHBondContact O-N 3.3Å
45	P	58.1	Low	63.8	Low	89 Å²	89	111.9 Å²	111.9	58%	0.578	55%	0.545	S	S	*	.	H	α-helix	trans	-57.2	-33.2	-178.6	22	-32.6	0	0	0	112.4	N47 F48 T49	P45-N47 PolarHBondContact O-N 2.89Å; P45-N47 VanDerWaalsContact O-N 3.13Å; P45-F48 WeakPolarHBondContact O-CB 3.45Å; P45-F48 PolarHBondContact O-N 3.11Å; P45-T49 PolarHBondContact O-N 3.37Å
46	E	55.3	Low	65.5	Low	144 Å²	144	111.1 Å²	111.1	67%	0.673	53%	0.525	S	S	*	.	H	α-helix	trans	-45.2	-40.3	171.1	-59	-56.9	135.5	0	0	114.1	Y44 R50	Y44-E46 PolarHBondContact O-N 3.28Å; Y44-E46 VanDerWaalsContact O-N 3.17Å; E46-R50 PolarHBondContact O-N 3.42Å
47	N	68.6	Low	67.6	Low	68 Å²	68	112.5 Å²	112.5	36%	0.364	53%	0.528	S	S	.	.	H	α-helix	trans	-74.1	-28.6	179.7	-82.3	-38	0	0	0	112.5	Y44 P45 R50 I51	Y44-N47 PolarHBondContact O-N 3.3Å; P45-N47 PolarHBondContact O-N 2.89Å; P45-N47 VanDerWaalsContact O-N 3.13Å; N47-R50 PolarHBondContact OD1-NH2 2.99Å; N47-I51 WeakPolarHBondContact O-CD1 3.48Å; N47-I51 WeakPolarHBondContact O-CG1 3.41Å; N47-I51 PolarHBondContact O-N 3.12Å
48	F	75.6	Confident	69.6	Low	73 Å²	73	110.4 Å²	110.4	32%	0.32	54%	0.537	S	S	.	.	H	α-helix	trans	-70.2	-53.6	178.1	-71.6	-104	0	0	0	110.9	I43 P45 R50 I51 L52 I114 L117	I43-F48 HydrophobicContact CB-CE2 4.11Å; I43-F48 HydrophobicContact CB-CZ 4.49Å; I43-F48 HydrophobicContact CG2-CD2 4.36Å; I43-F48 HydrophobicContact CG2-CE2 3.47Å; I43-F48 VanDerWaalsContact CG2-CE2 3.47Å; I43-F48 HydrophobicContact CG2-CZ 3.86Å; P45-F48 WeakPolarHBondContact O-CB 3.45Å; P45-F48 PolarHBondContact O-N 3.11Å; F48-R50 VanDerWaalsContact C-N 3.3Å; F48-R50 PolarHBondContact O-N 3.01Å; F48-I51 WeakPolarHBondContact O-CA 3.34Å; F48-I51 WeakPolarHBondContact O-CB 3.26Å; F48-I51 PolarHBondContact O-N 3.02Å; F48-L52 WeakPolarHBondContact O-CG 3.41Å; F48-L52 PolarHBondContact O-N 2.68Å; F48-I114 HydrophobicContact CD1-CD1 3.88Å; F48-I114 HydrophobicContact CE1-CD1 3.18Å; F48-I114 HydrophobicContact CE2-CD1 3.99Å; F48-I114 HydrophobicContact CZ-CD1 3.27Å; F48-L117 HydrophobicContact CD1-CD2 4.38Å
49	T	82.1	Confident	71.9	Confident	79 Å²	79	103.2 Å²	103.2	49%	0.485	51%	0.505	S	S	.	.	H	α-helix	trans	-55.9	-48.3	-177.3	-42.5	0	0	0	0	110.2	P45 I51 L52 D53	P45-T49 PolarHBondContact O-N 3.37Å; T49-I51 VanDerWaalsContact C-N 3.26Å; T49-I51 PolarHBondContact O-N 2.91Å; T49-L52 PolarHBondContact O-N 3.38Å; T49-D53 PolarHBondContact O-N 2.94Å
50	R	84.1	Confident	74.2	Confident	133 Å²	133	96.3 Å²	96.3	50%	0.502	48%	0.477	S	S	.	.	H	α-helix	trans	-63.1	-25.1	176.4	-163.7	-175.3	67.5	179	-4.6	114.4	E46 N47 F48 R54	E46-R50 PolarHBondContact O-N 3.42Å; N47-R50 PolarHBondContact OD1-NH2 2.99Å; F48-R50 VanDerWaalsContact C-N 3.3Å; F48-R50 PolarHBondContact O-N 3.01Å; R50-R54 WeakPolarHBondContact O-CB 3.23Å; R50-R54 VanDerWaalsContact O-CD 3.29Å; R50-R54 WeakPolarHBondContact O-CD 3.49Å; R50-R54 WeakPolarHBondContact O-CG 3.49Å
51	I	84.8	Confident	76.5	Confident	27 Å²	27	92.6 Å²	92.6	14%	0.138	46%	0.457	C	S	.	.	H	α-helix	trans	-75.5	-42.7	170.7	-75.1	166.4	0	0	0	110.2	N47 F48 T49 L55 Y110 L117	N47-I51 WeakPolarHBondContact O-CD1 3.48Å; N47-I51 WeakPolarHBondContact O-CG1 3.41Å; N47-I51 PolarHBondContact O-N 3.12Å; F48-I51 WeakPolarHBondContact O-CA 3.34Å; F48-I51 WeakPolarHBondContact O-CB 3.26Å; F48-I51 PolarHBondContact O-N 3.02Å; T49-I51 VanDerWaalsContact C-N 3.26Å; T49-I51 PolarHBondContact O-N 2.91Å; I51-L55 WeakPolarHBondContact O-CB 3.26Å; I51-L55 PolarHBondContact O-N 3.31Å; I51-L55 VanDerWaalsContact O-N 3.07Å; I51-Y110 HydrophobicContact CG2-CD2 4.03Å; I51-Y110 HydrophobicContact CG2-CG 4.06Å; I51-L117 HydrophobicContact CG2-CD1 4.09Å
52	L	82.8	Confident	78.4	Confident	42 Å²	42	94.7 Å²	94.7	22%	0.22	46%	0.459	C	S	.	.	H	α-helix	trans	-67.6	-44.2	-177.8	-63.6	169.4	0	0	0	112.3	F48 T49 R54 L55 L56 L117 L119 M123	F48-L52 WeakPolarHBondContact O-CG 3.41Å; F48-L52 PolarHBondContact O-N 2.68Å; T49-L52 PolarHBondContact O-N 3.38Å; L52-R54 PolarHBondContact O-N 3.2Å; L52-L55 VanDerWaalsContact O-CB 3.23Å; L52-L55 WeakPolarHBondContact O-CB 3.49Å; L52-L55 PolarHBondContact O-N 2.83Å; L52-L55 VanDerWaalsContact O-N 3.07Å; L52-L56 PolarHBondContact O-N 2.78Å; L52-L117 HydrophobicContact CD2-CD1 4.08Å; L52-L119 HydrophobicContact CD2-CD2 3.47Å; L52-L119 VanDerWaalsContact CD2-CD2 3.47Å; L52-M123 HydrophobicContact CD2-CE 3.98Å; L52-M123 HydrophobicContact CD2-SD 3.95Å
53	D	84.4	Confident	80.6	Confident	105 Å²	105	88.6 Å²	88.6	56%	0.561	44%	0.441	S	S	*	.	H	α-helix	trans	-62	-45.2	178.1	-57.6	-31.4	0	0	0	110.6	T49 L55 L56 D57	T49-D53 PolarHBondContact O-N 2.94Å; D53-L55 PolarHBondContact O-N 2.73Å; D53-L56 PolarHBondContact O-N 2.8Å; D53-D57 PolarHBondContact O-N 2.92Å
54	R	87.1	Confident	82.5	Confident	179 Å²	179	84.8 Å²	84.8	68%	0.675	42%	0.42	S	S	*	.	H	α-helix	trans	-66.1	-18.6	174.4	-73.5	179.2	175.3	-163	-4.7	114.2	R50 L52	R50-R54 WeakPolarHBondContact O-CB 3.23Å; R50-R54 VanDerWaalsContact O-CD 3.29Å; R50-R54 WeakPolarHBondContact O-CD 3.49Å; R50-R54 WeakPolarHBondContact O-CG 3.49Å; L52-R54 PolarHBondContact O-N 3.2Å
55	L	87.8	Confident	84.4	Confident	9 Å²	9	78.1 Å²	78.1	5%	0.047	40%	0.395	C	S	.	.	H	α-helix	trans	-78.8	-24.4	178.5	-150.4	81.8	0	0	0	112.4	I51 L52 D53 L108 Y110 M123 I154	I51-L55 WeakPolarHBondContact O-CB 3.26Å; I51-L55 PolarHBondContact O-N 3.31Å; I51-L55 VanDerWaalsContact O-N 3.07Å; L52-L55 VanDerWaalsContact O-CB 3.23Å; L52-L55 WeakPolarHBondContact O-CB 3.49Å; L52-L55 PolarHBondContact O-N 2.83Å; L52-L55 VanDerWaalsContact O-N 3.07Å; D53-L55 PolarHBondContact O-N 2.73Å; L55-L108 HydrophobicContact CD2-CB 4.21Å; L55-L108 HydrophobicContact CD2-CD2 4.04Å; L55-L108 HydrophobicContact CG-CB 4.29Å; L55-L108 HydrophobicContact CG-CD2 3.89Å; L55-L108 WeakPolarHBondContact O-CD2 3.39Å; L55-Y110 HydrophobicContact CD1-CD1 4.21Å; L55-Y110 HydrophobicContact CD1-CG 4.41Å; L55-M123 HydrophobicContact CD2-CE 3.92Å; L55-I154 HydrophobicContact CD2-CD1 3.43Å; L55-I154 VanDerWaalsContact CD2-CD1 3.43Å
56	L	88.3	Confident	86	Confident	50 Å²	50	75.7 Å²	75.7	26%	0.262	39%	0.387	S	S	.	.	H	α-helix	trans	-104.3	-12.1	-179.3	-61.7	-179	0	0	0	113	L52 D53 G58 Y59 M123 N126 V127	L52-L56 PolarHBondContact O-N 2.78Å; D53-L56 PolarHBondContact O-N 2.8Å; L56-G58 PolarHBondContact O-N 3.37Å; L56-Y59 WeakPolarHBondContact O-CB 3.5Å; L56-Y59 PolarHBondContact O-N 3.16Å; L56-M123 HydrophobicContact CD1-CE 4.02Å; L56-M123 HydrophobicContact CD1-CG 4.47Å; L56-M123 HydrophobicContact CD2-CE 4.04Å; L56-M123 HydrophobicContact CG-CE 3.93Å; L56-N126 HydrophobicContact CD1-CB 4.25Å; L56-V127 HydrophobicContact CD2-CG2 4.1Å
57	D	90	Very high	87.7	Confident	140 Å²	140	75.3 Å²	75.3	75%	0.749	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	124.6	172.9	-167.8	10.2	0	0	0	110.7	D53 Y59	D53-D57 PolarHBondContact O-N 2.92Å; D57-Y59 PolarHBondContact O-N 3.43Å
58	G	89.4	Confident	88.6	Confident	81 Å²	81	75.9 Å²	75.9	84%	0.835	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	8.3	-172.5	0	0	0	0	0	116.5	L56	L56-G58 PolarHBondContact O-N 3.37Å
59	Y	93.1	Very high	89.4	Confident	32 Å²	32	74.4 Å²	74.4	13%	0.125	41%	0.41	C	S	.	.			trans	-83.9	115.9	-176.5	-171.1	-86.5	0	0	0	113	L56 D57 N61 D105 R107 L108 V127 W128	L56-Y59 WeakPolarHBondContact O-CB 3.5Å; L56-Y59 PolarHBondContact O-N 3.16Å; D57-Y59 PolarHBondContact O-N 3.43Å; Y59-N61 HydrophobicContact CD1-CB 4.33Å; Y59-N61 HydrophobicContact CE1-CB 3.91Å; Y59-D105 VanDerWaalsContact CE2-OD2 3.32Å; Y59-D105 WeakPolarHBondContact CE2-OD2 3.44Å; Y59-D105 PolarHBondContact OH-OD2 2.69Å; Y59-R107 HydrophobicContact CD2-CB 3.89Å; Y59-R107 HydrophobicContact CE2-CB 3.83Å; Y59-R107 PolarHBondContact OH-NH2 3.16Å; Y59-R107 VanDerWaalsContact OH-NH2 3.11Å; Y59-L108 HydrophobicContact CD2-CD2 3.52Å; Y59-L108 HydrophobicContact CD2-CG 4.35Å; Y59-L108 HydrophobicContact CE2-CD1 4.35Å; Y59-L108 HydrophobicContact CE2-CD2 3.44Å; Y59-L108 VanDerWaalsContact CE2-CD2 3.44Å; Y59-L108 HydrophobicContact CE2-CG 3.81Å; Y59-L108 HydrophobicContact CG-CD2 4.3Å; Y59-V127 HydrophobicContact CE1-CG1 4.43Å; Y59-W128 WeakPolarHBondContact OH-CB 3.38Å; Y59-W128 PolarHBondContact OH-N 2.87Å; Y59-W128 VanDerWaalsContact OH-N 3.15Å
60	D	92.4	Very high	89.9	Confident	40 Å²	40	74.8 Å²	74.8	21%	0.214	41%	0.414	C	S	.	.			trans	-95.2	111.1	170.9	-165	-23.5	0	0	0	111.7	R62 L63 R107	D60-R62 VanDerWaalsContact C-N 3.27Å; D60-R62 PolarHBondContact O-N 3.12Å; D60-R62 WeakPolarHBondContact OD1-CB 3.47Å; D60-R62 WeakPolarHBondContact OD1-CG 3.49Å; D60-R62 IonicContact OD1-CZ 2.86Å; D60-R62 PolarHBondContact OD1-N 3.39Å; D60-R62 IonicContact OD1-NE 3.29Å; D60-R62 PolarHBondContact OD1-NE 3.1Å; D60-R62 IonicContact OD1-NH2 3.98Å; D60-R62 IonicContact OD2-CZ 2.81Å; D60-R62 IonicContact OD2-NE 2.62Å; D60-R62 PolarHBondContact OD2-NE 3.15Å; D60-R62 IonicContact OD2-NH2 3.69Å; D60-R62 PolarHBondContact OD2-NH2 3.4Å; D60-L63 HydrophobicContact CB-CD1 4.23Å; D60-L63 HydrophobicContact CB-CG 4.35Å; D60-R107 PolarHBondContact O-NH1 3.39Å
61	N	92.8	Very high	90.5	Very high	67 Å²	67	71.5 Å²	71.5	36%	0.358	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-8.4	178.4	69.9	-14.5	0	0	0	114.3	Y59 S125 W128	Y59-N61 HydrophobicContact CD1-CB 4.33Å; Y59-N61 HydrophobicContact CE1-CB 3.91Å; N61-S125 PolarHBondContact ND2-O 3.06Å; N61-W128 WeakPolarHBondContact O-CB 3.48Å
62	R	92.4	Very high	91	Very high	191 Å²	191	70.5 Å²	70.5	72%	0.721	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-22.5	176.5	-53	169.9	-65.4	178.2	3.9	112	D60	D60-R62 VanDerWaalsContact C-N 3.27Å; D60-R62 PolarHBondContact O-N 3.12Å; D60-R62 WeakPolarHBondContact OD1-CB 3.47Å; D60-R62 WeakPolarHBondContact OD1-CG 3.49Å; D60-R62 IonicContact OD1-CZ 2.86Å; D60-R62 PolarHBondContact OD1-N 3.39Å; D60-R62 IonicContact OD1-NE 3.29Å; D60-R62 PolarHBondContact OD1-NE 3.1Å; D60-R62 IonicContact OD1-NH2 3.98Å; D60-R62 IonicContact OD2-CZ 2.81Å; D60-R62 IonicContact OD2-NE 2.62Å; D60-R62 PolarHBondContact OD2-NE 3.15Å; D60-R62 IonicContact OD2-NH2 3.69Å; D60-R62 PolarHBondContact OD2-NH2 3.4Å
63	L	93.6	Very high	91.6	Very high	72 Å²	72	72.3 Å²	72.3	38%	0.377	41%	0.411	S	S	.	.	S	Bend	trans	-96.2	129.4	-178	-60.6	179	0	0	0	111.2	D60 F67 R107	D60-L63 HydrophobicContact CB-CD1 4.23Å; D60-L63 HydrophobicContact CB-CG 4.35Å; L63-F67 HydrophobicContact CD2-CD1 4.48Å; L63-F67 HydrophobicContact CD2-CG 4.46Å; L63-R107 PolarHBondContact O-NH1 2.72Å; L63-R107 PolarHBondContact O-NH2 3.15Å
64	R	95	Very high	92.3	Very high	11 Å²	11	67.3 Å²	67.3	4%	0.042	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-65.5	149.6	176.7	74.3	171.1	180	85.4	1.1	111.6	G66 F67 P70 T72 W128 Y195 E199	R64-G66 PolarHBondContact NH1-O 3.2Å; R64-G66 PolarHBondContact O-N 2.92Å; R64-G66 VanDerWaalsContact O-N 3.15Å; R64-F67 HydrophobicContact CG-CB 4.21Å; R64-F67 HydrophobicContact CG-CD2 4.44Å; R64-F67 PolarHBondContact O-N 3.02Å; R64-P70 PolarHBondContact NH1-O 3.38Å; R64-T72 PolarHBondContact NH1-OG1 3.38Å; R64-T72 VanDerWaalsContact NH1-OG1 3.1Å; R64-W128 HydrophobicContact CB-CZ2 3.81Å; R64-Y195 HydrophobicContact CB-CE1 4.17Å; R64-Y195 HydrophobicContact CG-CE1 4.46Å; R64-E199 WeakPolarHBondContact CD-OE2 3.36Å; R64-E199 IonicContact CZ-OE2 2.64Å; R64-E199 IonicContact NE-OE2 2.67Å; R64-E199 PolarHBondContact NE-OE2 3.46Å; R64-E199 PolarHBondContact NH1-O 3.39Å; R64-E199 IonicContact NH2-OE2 2.67Å
65	P	95.2	Very high	92.7	Very high	9 Å²	9	62.5 Å²	62.5	6%	0.058	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	118.1	173.3	-20.1	30.2	0	0	0	111	T72 D105 W128	P65-T72 HydrophobicContact CB-CG2 4.34Å; P65-T72 HydrophobicContact CG-CG2 4.3Å; P65-T72 PolarHBondContact O-OG1 3.03Å; P65-D105 HydrophobicContact CB-CB 4.04Å; P65-D105 HydrophobicContact CG-CB 3.87Å; P65-W128 VanDerWaalsContact CD-CD2 3.47Å; P65-W128 HydrophobicContact CG-CD2 4.26Å; P65-W128 HydrophobicContact CG-CE3 3.68Å; P65-W128 HydrophobicContact CG-CZ3 3.92Å
66	G	90.3	Very high	93.2	Very high	38 Å²	38	62 Å²	62	39%	0.392	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.4	23	-176.5	0	0	0	0	0	115.1	R64 G68 G69	R64-G66 PolarHBondContact NH1-O 3.2Å; R64-G66 PolarHBondContact O-N 2.92Å; R64-G66 VanDerWaalsContact O-N 3.15Å; G66-G68 PolarHBondContact O-N 3.2Å; G66-G69 CarbonylContact O-C 3.58Å; G66-G69 WeakPolarHBondContact O-CA 3.3Å; G66-G69 PolarHBondContact O-N 2.93Å
67	F	91.2	Very high	93.5	Very high	136 Å²	136	60.3 Å²	60.3	60%	0.596	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	136	168.5	-174.8	-98.6	0	0	0	111.8	L63 R64 G69	L63-F67 HydrophobicContact CD2-CD1 4.48Å; L63-F67 HydrophobicContact CD2-CG 4.46Å; R64-F67 HydrophobicContact CG-CB 4.21Å; R64-F67 HydrophobicContact CG-CD2 4.44Å; R64-F67 PolarHBondContact O-N 3.02Å; F67-G69 PolarHBondContact O-N 3.07Å
68	G	88.6	Confident	93.8	Very high	79 Å²	79	53.8 Å²	53.8	81%	0.814	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.1	0.4	-172.6	0	0	0	0	0	115.5	G66	G66-G68 PolarHBondContact O-N 3.2Å
69	G	91.4	Very high	94	Very high	42 Å²	42	53.5 Å²	53.5	43%	0.433	30%	0.296	S	S	.	.	S	Bend	trans	-131.9	-144.1	179.6	0	0	0	0	0	112.3	G66 F67	G66-G69 CarbonylContact O-C 3.58Å; G66-G69 WeakPolarHBondContact O-CA 3.3Å; G66-G69 PolarHBondContact O-N 2.93Å; F67-G69 PolarHBondContact O-N 3.07Å
70	P	93.8	Very high	94.1	Very high	88 Å²	88	52 Å²	52	57%	0.571	29%	0.29	S	S	*	.	S	Bend	trans	-63.1	161.5	-171.8	27.9	-35.9	0	0	0	113.2	R64	R64-P70 PolarHBondContact NH1-O 3.38Å
71	V	95.4	Very high	94.2	Very high	63 Å²	63	51.8 Å²	51.8	38%	0.382	29%	0.291	S	S	.	.			trans	-62	143.4	173.8	-59.4	0	0	0	0	111.3	E199 I201	V71-E199 WeakPolarHBondContact CA-O 3.45Å; V71-I201 HydrophobicContact CG2-CD1 4Å; V71-I201 HydrophobicContact CG2-CG1 4.17Å
72	T	96.3	Very high	94.1	Very high	7 Å²	7	51.2 Å²	51.2	4%	0.043	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.2	173.4	-46	0	0	0	0	108.6	R64 P65 W128 E199 M200 I201	R64-T72 PolarHBondContact NH1-OG1 3.38Å; R64-T72 VanDerWaalsContact NH1-OG1 3.1Å; P65-T72 HydrophobicContact CB-CG2 4.34Å; P65-T72 HydrophobicContact CG-CG2 4.3Å; P65-T72 PolarHBondContact O-OG1 3.03Å; T72-W128 HydrophobicContact CG2-CH2 4.09Å; T72-W128 HydrophobicContact CG2-CZ3 4.28Å; T72-E199 PolarHBondContact N-O 3.39Å; T72-M200 WeakPolarHBondContact O-CA 3.4Å; T72-M200 WeakPolarHBondContact O-CG 3.47Å; T72-I201 PolarHBondContact O-N 2.89Å
73	E	96.3	Very high	94.1	Very high	79 Å²	79	42.4 Å²	42.4	37%	0.369	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	125.7	172.7	-169.8	-171.2	-166.7	0	0	110.2	K75 W103 I201 T203	E73-K75 HydrophobicContact CG-CG 4.5Å; E73-K75 WeakPolarHBondContact OE1-CE 3.27Å; E73-K75 IonicContact OE1-NZ 3.61Å; E73-K75 PolarHBondContact OE1-NZ 2.7Å; E73-K75 WeakPolarHBondContact OE2-CE 3.41Å; E73-K75 IonicContact OE2-NZ 3.56Å; E73-K75 PolarHBondContact OE2-NZ 2.94Å; E73-W103 WeakPolarHBondContact O-CB 3.44Å; E73-I201 HydrophobicContact CB-CG1 4.3Å; E73-I201 HydrophobicContact CG-CD1 4.45Å; E73-I201 HydrophobicContact CG-CG1 4.28Å; E73-T203 HydrophobicContact CG-CG2 4.18Å; E73-T203 WeakPolarHBondContact CG-OG1 3.14Å; E73-T203 WeakPolarHBondContact OE1-CG2 3.47Å; E73-T203 PolarHBondContact OE1-OG1 3.42Å
74	V	97.6	Very high	93.9	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	105.2	175.5	-175.9	0	0	0	0	109.6	T76 Q101 W103 P130 M200 I201 Y202 T203	V74-T76 HydrophobicContact CG1-CG2 4.32Å; V74-Q101 HydrophobicContact CG1-CB 4.23Å; V74-W103 HydrophobicContact CG2-CB 4.22Å; V74-P130 HydrophobicContact CG1-CB 4.49Å; V74-P130 HydrophobicContact CG1-CG 4.11Å; V74-P130 HydrophobicContact CG2-CB 4.18Å; V74-P130 HydrophobicContact CG2-CG 4.42Å; V74-M200 HydrophobicContact CG2-CG 3.89Å; V74-M200 HydrophobicContact CG2-SD 3.61Å; V74-I201 PolarHBondContact N-O 3.47Å; V74-Y202 HydrophobicContact CB-CD1 4.03Å; V74-Y202 HydrophobicContact CB-CE1 4.1Å; V74-Y202 HydrophobicContact CG1-CD1 4.05Å; V74-Y202 HydrophobicContact CG1-CE1 3.89Å; V74-Y202 WeakPolarHBondContact O-CA 3.05Å; V74-T203 PolarHBondContact O-N 3.23Å
75	K	96.9	Very high	93.7	Very high	78 Å²	78	44 Å²	44	34%	0.339	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	123.5	176.9	-72.4	176.6	-172.7	178.2	0	110.2	E73 Q101 T102 T203	E73-K75 HydrophobicContact CG-CG 4.5Å; E73-K75 WeakPolarHBondContact OE1-CE 3.27Å; E73-K75 IonicContact OE1-NZ 3.61Å; E73-K75 PolarHBondContact OE1-NZ 2.7Å; E73-K75 WeakPolarHBondContact OE2-CE 3.41Å; E73-K75 IonicContact OE2-NZ 3.56Å; E73-K75 PolarHBondContact OE2-NZ 2.94Å; K75-Q101 CarbonylContact O-C 3.54Å; K75-Q101 WeakPolarHBondContact O-CA 3.38Å; K75-T102 PolarHBondContact N-O 3.02Å; K75-T102 PolarHBondContact O-N 3.28Å; K75-T203 CarbonylContact C-O 3.35Å; K75-T203 VanDerWaalsContact CA-O 3.31Å; K75-T203 WeakPolarHBondContact CA-O 3.43Å; K75-T203 VanDerWaalsContact CG-OG1 3.29Å; K75-T203 WeakPolarHBondContact CG-OG1 3.45Å
76	T	96.5	Very high	93.7	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.3	-179.4	52.2	0	0	0	0	112.9	V74 F99 R100 Q101 F190 Y202 T203 T205	V74-T76 HydrophobicContact CG1-CG2 4.32Å; T76-F99 HydrophobicContact CG2-CZ 4.18Å; T76-R100 WeakPolarHBondContact CA-O 3.43Å; T76-Q101 HydrophobicContact CG2-CG 4.25Å; T76-F190 HydrophobicContact CG2-CE2 4Å; T76-Y202 HydrophobicContact CG2-CD1 3.86Å; T76-Y202 HydrophobicContact CG2-CE1 4.34Å; T76-T203 PolarHBondContact N-O 3Å; T76-T203 PolarHBondContact OG1-O 3.26Å; T76-T205 PolarHBondContact N-OG1 3.2Å; T76-T205 WeakPolarHBondContact O-CB 3.42Å; T76-T205 PolarHBondContact O-N 2.72Å; T76-T205 PolarHBondContact O-OG1 3.41Å
77	D	94.9	Very high	93.8	Very high	14 Å²	14	43.8 Å²	43.8	8%	0.075	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	134.2	-178.6	173	41.5	0	0	0	107.2	R100 K206	D77-R100 HydrophobicContact CB-CB 4.06Å; D77-R100 PolarHBondContact N-O 3.4Å; D77-R100 VanDerWaalsContact N-O 3.07Å; D77-R100 WeakPolarHBondContact O-CA 3.42Å; D77-R100 VanDerWaalsContact O-CB 3.31Å; D77-R100 WeakPolarHBondContact O-CB 3.31Å; D77-R100 PolarHBondContact O-N 2.92Å; D77-R100 IonicContact OD1-NH1 3.76Å; D77-R100 WeakPolarHBondContact OD2-CD 3.23Å; D77-R100 IonicContact OD2-CZ 3.66Å; D77-R100 IonicContact OD2-NE 3.89Å; D77-R100 IonicContact OD2-NH1 3.46Å; D77-R100 PolarHBondContact OD2-NH1 3.01Å; D77-K206 IonicContact OD1-NZ 3.65Å; D77-K206 PolarHBondContact OD1-NZ 2.91Å; D77-K206 IonicContact OD2-NZ 3.69Å
78	I	95.9	Very high	93.8	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	119.8	-173.1	-53.9	-174.8	0	0	0	108.8	V80 V97 F99 L188 F190 W204 S211 V212 E213 V248	I78-V80 HydrophobicContact CG2-CG2 4.32Å; I78-V97 HydrophobicContact CG2-CB 4.15Å; I78-V97 HydrophobicContact CG2-CG1 4.11Å; I78-F99 HydrophobicContact CD1-CD2 4.17Å; I78-F99 HydrophobicContact CD1-CE2 4.11Å; I78-F99 HydrophobicContact CG1-CD2 3.97Å; I78-F99 HydrophobicContact CG1-CE2 4.17Å; I78-L188 HydrophobicContact CD1-CD2 4.48Å; I78-F190 HydrophobicContact CD1-CE1 3.66Å; I78-F190 HydrophobicContact CD1-CZ 4.05Å; I78-W204 HydrophobicContact CD1-CH2 4.03Å; I78-W204 HydrophobicContact CD1-CZ3 4.18Å; I78-W204 HydrophobicContact CG1-CZ3 4.19Å; I78-S211 PolarHBondContact N-O 3.34Å; I78-V212 HydrophobicContact CB-CG2 4.44Å; I78-V212 CarbonylContact O-C 3.51Å; I78-V212 WeakPolarHBondContact O-CA 3.48Å; I78-E213 PolarHBondContact O-N 3.24Å; I78-V248 HydrophobicContact CD1-CG2 4.47Å
79	Y	95.1	Very high	93.9	Very high	75 Å²	75	38.3 Å²	38.3	29%	0.294	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	111.5	170.6	-174.6	-79.4	0	0	0	108.9	T81 V97 F98 E213 P215	Y79-T81 HydrophobicContact CD1-CG2 3.78Å; Y79-T81 HydrophobicContact CE1-CG2 3.95Å; Y79-T81 PolarHBondContact O-N 3.08Å; Y79-V97 CarbonylContact O-C 3.58Å; Y79-V97 WeakPolarHBondContact O-CA 3.37Å; Y79-F98 HydrophobicContact CD1-CD2 4.08Å; Y79-F98 PolarHBondContact N-O 3.44Å; Y79-F98 VanDerWaalsContact N-O 3.09Å; Y79-F98 PolarHBondContact O-N 2.65Å; Y79-E213 HydrophobicContact CD2-CB 3.76Å; Y79-E213 WeakPolarHBondContact CD2-OE2 3.49Å; Y79-E213 HydrophobicContact CE2-CB 4.36Å; Y79-P215 HydrophobicContact CE1-CG 4Å; Y79-P215 HydrophobicContact CE2-CG 4.16Å; Y79-P215 VanDerWaalsContact OH-CG 3.23Å; Y79-P215 WeakPolarHBondContact OH-CG 3.17Å
80	V	95.2	Very high	94	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	114.7	177.7	-176.7	0	0	0	0	108.4	I78 V97 E213 V214 P215 F250	I78-V80 HydrophobicContact CG2-CG2 4.32Å; V80-V97 HydrophobicContact CG2-CG1 4.13Å; V80-E213 PolarHBondContact N-O 3.16Å; V80-V214 HydrophobicContact CB-CG1 4.29Å; V80-V214 HydrophobicContact CB-CG2 4.08Å; V80-V214 HydrophobicContact CG1-CG1 4.47Å; V80-V214 HydrophobicContact CG2-CG2 3.91Å; V80-P215 WeakPolarHBondContact O-CD 3.46Å; V80-F250 HydrophobicContact CG2-CE1 4.26Å; V80-F250 HydrophobicContact CG2-CZ 4.25Å
81	T	93.1	Very high	94	Very high	37 Å²	37	40.6 Å²	40.6	23%	0.227	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-28.2	179.4	56.5	0	0	0	0	113	Y79 D96 F98 S218	Y79-T81 HydrophobicContact CD1-CG2 3.78Å; Y79-T81 HydrophobicContact CE1-CG2 3.95Å; Y79-T81 PolarHBondContact O-N 3.08Å; T81-D96 PolarHBondContact N-O 3.04Å; T81-D96 VanDerWaalsContact OG1-C 3.29Å; T81-D96 VanDerWaalsContact OG1-CB 3.29Å; T81-D96 WeakPolarHBondContact OG1-CB 3.44Å; T81-D96 PolarHBondContact OG1-O 2.97Å; T81-F98 HydrophobicContact CG2-CD2 3.37Å; T81-F98 HydrophobicContact CG2-CE2 3.38Å; T81-F98 HydrophobicContact CG2-CG 4.36Å; T81-F98 HydrophobicContact CG2-CZ 4.38Å; T81-S218 VanDerWaalsContact O-CB 3.25Å; T81-S218 WeakPolarHBondContact O-CB 3.47Å; T81-S218 PolarHBondContact O-OG 2.85Å
82	S	91.9	Very high	93.9	Very high	54 Å²	54	39.1 Å²	39.1	38%	0.378	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	136.2	173.5	-178.4	0	0	0	0	110.1	M95 D96	S82-M95 WeakPolarHBondContact O-CA 3.36Å; S82-D96 PolarHBondContact N-O 3.38Å; S82-D96 PolarHBondContact O-N 3.06Å
83	F	91.6	Very high	93.9	Very high	7 Å²	7	38.9 Å²	38.9	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	118.8	162.3	-144.8	-76.5	0	0	0	108.3	V86 Y93 S218 L221 L226 F250 L252	F83-V86 HydrophobicContact CE1-CG2 4.07Å; F83-Y93 HydrophobicContact CD1-CD2 4.49Å; F83-Y93 AromaticContact CE1-CD2 3.47Å; F83-Y93 HydrophobicContact CE1-CD2 3.47Å; F83-Y93 VanDerWaalsContact CE1-CD2 3.47Å; F83-Y93 HydrophobicContact CE1-CE2 4.22Å; F83-Y93 HydrophobicContact CE1-CG 4.21Å; F83-Y93 HydrophobicContact CE2-CD2 4.14Å; F83-Y93 HydrophobicContact CE2-CE2 4.08Å; F83-Y93 AromaticContact CZ-CD2 3.25Å; F83-Y93 HydrophobicContact CZ-CD2 3.25Å; F83-Y93 AromaticContact CZ-CE2 3.53Å; F83-Y93 HydrophobicContact CZ-CE2 3.53Å; F83-Y93 HydrophobicContact CZ-CG 4.21Å; F83-S218 PolarHBondContact N-O 3.06Å; F83-L221 HydrophobicContact CB-CD1 4.31Å; F83-L221 HydrophobicContact CB-CD2 4.17Å; F83-L221 HydrophobicContact CB-CG 4.31Å; F83-L221 HydrophobicContact CD1-CD1 3.7Å; F83-L221 HydrophobicContact CD1-CD2 3.92Å; F83-L221 HydrophobicContact CD1-CG 4.3Å; F83-L221 HydrophobicContact CE1-CD1 4.23Å; F83-L221 HydrophobicContact CG-CD1 4.12Å; F83-L221 HydrophobicContact CG-CD2 4.47Å; F83-L221 WeakPolarHBondContact O-CD2 3.35Å; F83-L226 HydrophobicContact CD2-CD2 4.21Å; F83-L226 HydrophobicContact CE2-CD1 4.47Å; F83-F250 HydrophobicContact CE2-CB 3.84Å; F83-F250 AromaticContact CE2-CD1 3.83Å; F83-F250 HydrophobicContact CE2-CD1 3.83Å; F83-F250 HydrophobicContact CE2-CD2 4.12Å; F83-F250 HydrophobicContact CE2-CE1 4.4Å; F83-F250 AromaticContact CE2-CG 3.66Å; F83-F250 HydrophobicContact CE2-CG 3.66Å; F83-F250 HydrophobicContact CZ-CB 4.1Å; F83-F250 HydrophobicContact CZ-CG 4.3Å; F83-L252 HydrophobicContact CE1-CD1 4.13Å; F83-L252 HydrophobicContact CE1-CD2 4.14Å; F83-L252 HydrophobicContact CZ-CD1 4.18Å; F83-L252 HydrophobicContact CZ-CD2 4.05Å
84	G	89.5	Confident	93.8	Very high	15 Å²	15	36.5 Å²	36.5	16%	0.155	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-175.3	-178.1	0	0	0	0	0	113	T94 L221	G84-T94 VanDerWaalsContact CA-O 3.28Å; G84-T94 WeakPolarHBondContact CA-O 3.44Å; G84-T94 WeakPolarHBondContact CA-OG1 3.37Å; G84-T94 PolarHBondContact N-O 3.2Å; G84-L221 VanDerWaalsContact O-CD2 3.24Å; G84-L221 WeakPolarHBondContact O-CD2 3.28Å
85	P	91.8	Very high	93.6	Very high	102 Å²	102	36.6 Å²	36.6	66%	0.662	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-55.1	146.3	175.8	22.7	-34.2	0	0	0	113	T94	P85-T94 WeakPolarHBondContact CD-OG1 3.28Å; P85-T94 WeakPolarHBondContact CG-OG1 3.41Å; P85-T94 PolarHBondContact O-N 3.48Å; P85-T94 PolarHBondContact O-OG1 3.08Å
86	V	93.7	Very high	93.5	Very high	12 Å²	12	34.3 Å²	34.3	7%	0.073	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.2	172.9	-179.7	0	0	0	0	107	F83 M174 Y224 L252	F83-V86 HydrophobicContact CE1-CG2 4.07Å; V86-M174 HydrophobicContact CG1-CE 3.45Å; V86-M174 VanDerWaalsContact CG1-CE 3.45Å; V86-Y224 HydrophobicContact CB-CD2 3.97Å; V86-Y224 HydrophobicContact CB-CE2 3.77Å; V86-Y224 HydrophobicContact CG1-CD2 4.19Å; V86-Y224 HydrophobicContact CG1-CE2 3.56Å; V86-Y224 HydrophobicContact CG2-CD2 4.12Å; V86-Y224 HydrophobicContact CG2-CE2 4.33Å; V86-L252 HydrophobicContact CG2-CD1 3.92Å
87	S	93.1	Very high	93.5	Very high	29 Å²	29	34.3 Å²	34.3	20%	0.203	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	97.8	-179.6	-174.5	0	0	0	0	109.6	V89 E90 M91 E92	S87-V89 PolarHBondContact O-N 3.42Å; S87-E90 WeakPolarHBondContact CB-OE2 3.36Å; S87-E90 PolarHBondContact O-N 3.42Å; S87-E90 WeakPolarHBondContact OG-CB 3.41Å; S87-E90 PolarHBondContact OG-N 2.95Å; S87-E90 PolarHBondContact OG-OE2 2.81Å; S87-M91 WeakPolarHBondContact O-CA 3.49Å; S87-M91 PolarHBondContact O-N 3.24Å; S87-E92 PolarHBondContact N-O 3.45Å; S87-E92 PolarHBondContact O-N 3Å
88	D	91.9	Very high	93.6	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.07	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-33	175.5	-65	-13.7	0	0	0	111.6	Y224 R254 P311	D88-Y224 PolarHBondContact OD1-OH 3.4Å; D88-R254 IonicContact OD1-NH1 2.84Å; D88-R254 IonicContact OD1-NH2 2.69Å; D88-R254 IonicContact OD2-CZ 2.66Å; D88-R254 IonicContact OD2-NH1 2.64Å; D88-R254 PolarHBondContact OD2-NH1 2.92Å; D88-R254 IonicContact OD2-NH2 2.72Å; D88-P311 WeakPolarHBondContact O-CD 3.32Å; D88-P311 VanDerWaalsContact O-CG 3.28Å; D88-P311 WeakPolarHBondContact O-CG 3.39Å
89	V	91.1	Very high	93.6	Very high	88 Å²	88	37.3 Å²	37.3	53%	0.533	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-39.6	-177.3	178.8	0	0	0	0	111.8	S87	S87-V89 PolarHBondContact O-N 3.42Å
90	E	92.3	Very high	93.7	Very high	121 Å²	121	36.7 Å²	36.7	57%	0.565	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.8	-7.4	-178.8	-64.8	160.8	130.5	0	0	112.7	S87 E92 K138	S87-E90 WeakPolarHBondContact CB-OE2 3.36Å; S87-E90 PolarHBondContact O-N 3.42Å; S87-E90 WeakPolarHBondContact OG-CB 3.41Å; S87-E90 PolarHBondContact OG-N 2.95Å; S87-E90 PolarHBondContact OG-OE2 2.81Å; E90-E92 HydrophobicContact CB-CG 4.05Å; E90-K138 PolarHBondContact O-NZ 3.43Å
91	M	93.4	Very high	93.8	Very high	56 Å²	56	36.8 Å²	36.8	28%	0.276	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.8	51	-173.4	-63.6	-173.9	178.2	0	0	112.1	S87 E171 C172 P311	S87-M91 WeakPolarHBondContact O-CA 3.49Å; S87-M91 PolarHBondContact O-N 3.24Å; M91-E171 WeakPolarHBondContact O-CA 3.18Å; M91-C172 PolarHBondContact O-N 3.42Å; M91-P311 HydrophobicContact CE-CB 4.49Å; M91-P311 HydrophobicContact CE-CG 4.25Å
92	E	95.1	Very high	93.9	Very high	33 Å²	33	36.7 Å²	36.7	15%	0.154	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	165.6	174	65.6	-174.4	-99.9	0	0	113.1	S87 E90 K138 S169 A170	S87-E92 PolarHBondContact N-O 3.45Å; S87-E92 PolarHBondContact O-N 3Å; E90-E92 HydrophobicContact CB-CG 4.05Å; E92-K138 HydrophobicContact CB-CD 4.16Å; E92-K138 WeakPolarHBondContact OE2-CD 3.28Å; E92-K138 WeakPolarHBondContact OE2-CE 3.24Å; E92-K138 IonicContact OE2-NZ 3.2Å; E92-K138 PolarHBondContact OE2-NZ 3.35Å; E92-S169 WeakPolarHBondContact OE1-CB 3.17Å; E92-A170 CarbonylContact C-O 3.44Å; E92-A170 VanDerWaalsContact CA-O 3.23Å; E92-A170 WeakPolarHBondContact CA-O 2.98Å; E92-A170 VanDerWaalsContact CB-O 3.29Å; E92-A170 WeakPolarHBondContact CB-O 3.34Å
93	Y	95.1	Very high	94.2	Very high	1 Å²	1	34.3 Å²	34.3	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	152.8	172.8	70	-72.8	0	0	0	110.1	F83 M95 S169 A170 C172 C186 P187 L188 F250	F83-Y93 HydrophobicContact CD1-CD2 4.49Å; F83-Y93 AromaticContact CE1-CD2 3.47Å; F83-Y93 HydrophobicContact CE1-CD2 3.47Å; F83-Y93 VanDerWaalsContact CE1-CD2 3.47Å; F83-Y93 HydrophobicContact CE1-CE2 4.22Å; F83-Y93 HydrophobicContact CE1-CG 4.21Å; F83-Y93 HydrophobicContact CE2-CD2 4.14Å; F83-Y93 HydrophobicContact CE2-CE2 4.08Å; F83-Y93 AromaticContact CZ-CD2 3.25Å; F83-Y93 HydrophobicContact CZ-CD2 3.25Å; F83-Y93 AromaticContact CZ-CE2 3.53Å; F83-Y93 HydrophobicContact CZ-CE2 3.53Å; F83-Y93 HydrophobicContact CZ-CG 4.21Å; Y93-M95 HydrophobicContact CD2-CE 4.24Å; Y93-M95 HydrophobicContact CE2-CE 3.35Å; Y93-M95 HydrophobicContact CE2-SD 3.9Å; Y93-S169 WeakPolarHBondContact O-CA 3.44Å; Y93-A170 HydrophobicContact CD1-CB 4.18Å; Y93-A170 WeakPolarHBondContact CD1-O 3.23Å; Y93-A170 HydrophobicContact CE1-CB 3.58Å; Y93-A170 PolarHBondContact N-O 3.4Å; Y93-A170 PolarHBondContact O-N 2.92Å; Y93-C172 HydrophobicContact CD1-CB 3.73Å; Y93-C172 HydrophobicContact CE1-CB 4.09Å; Y93-C186 HydrophobicContact CD1-CB 3.95Å; Y93-C186 HydrophobicContact CE1-CB 3.68Å; Y93-P187 PolarHBondContact OH-O 2.66Å; Y93-L188 PolarHBondContact OH-N 3.1Å; Y93-F250 HydrophobicContact CE2-CD2 4.11Å
94	T	94.6	Very high	94.4	Very high	30 Å²	30	38.4 Å²	38.4	18%	0.184	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	149.9	179	54	0	0	0	0	111	G84 P85 I168	G84-T94 VanDerWaalsContact CA-O 3.28Å; G84-T94 WeakPolarHBondContact CA-O 3.44Å; G84-T94 WeakPolarHBondContact CA-OG1 3.37Å; G84-T94 PolarHBondContact N-O 3.2Å; P85-T94 WeakPolarHBondContact CD-OG1 3.28Å; P85-T94 WeakPolarHBondContact CG-OG1 3.41Å; P85-T94 PolarHBondContact O-N 3.48Å; P85-T94 PolarHBondContact O-OG1 3.08Å; T94-I168 CarbonylContact C-O 3.58Å; T94-I168 VanDerWaalsContact CA-O 3.31Å; T94-I168 WeakPolarHBondContact CA-O 3.21Å
95	M	94.1	Very high	94.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	147.5	172.7	60.9	-170.3	136.3	0	0	111.3	S82 Y93 V97 T167 I168 A170 L188 F250	S82-M95 WeakPolarHBondContact O-CA 3.36Å; Y93-M95 HydrophobicContact CD2-CE 4.24Å; Y93-M95 HydrophobicContact CE2-CE 3.35Å; Y93-M95 HydrophobicContact CE2-SD 3.9Å; M95-V97 HydrophobicContact CG-CG1 4.05Å; M95-V97 HydrophobicContact SD-CG1 4.18Å; M95-T167 CarbonylContact O-C 3.58Å; M95-T167 WeakPolarHBondContact O-CA 3.34Å; M95-I168 HydrophobicContact CE-CB 4.3Å; M95-I168 HydrophobicContact CE-CG2 4.22Å; M95-I168 HydrophobicContact CG-CB 4.27Å; M95-I168 PolarHBondContact N-O 3.02Å; M95-I168 PolarHBondContact O-N 3.25Å; M95-A170 HydrophobicContact CE-CB 4.18Å; M95-L188 HydrophobicContact CE-CB 4.13Å; M95-L188 HydrophobicContact CE-CD1 3.61Å; M95-L188 HydrophobicContact CE-CD2 3.73Å; M95-L188 HydrophobicContact CE-CG 4.02Å; M95-L188 HydrophobicContact SD-CD2 4.12Å; M95-F250 HydrophobicContact SD-CE2 4.05Å; M95-F250 HydrophobicContact SD-CZ 4.32Å
96	D	94.6	Very high	94.7	Very high	30 Å²	30	41.4 Å²	41.4	16%	0.16	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.3	170.3	-89.3	20.5	0	0	0	109.7	T81 S82 H143 R165 L166 T167	T81-D96 PolarHBondContact N-O 3.04Å; T81-D96 VanDerWaalsContact OG1-C 3.29Å; T81-D96 VanDerWaalsContact OG1-CB 3.29Å; T81-D96 WeakPolarHBondContact OG1-CB 3.44Å; T81-D96 PolarHBondContact OG1-O 2.97Å; S82-D96 PolarHBondContact N-O 3.38Å; S82-D96 PolarHBondContact O-N 3.06Å; D96-H143 IonicContact OD2-CE1 2.67Å; D96-H143 IonicContact OD2-NE2 2.67Å; D96-R165 IonicContact OD2-CZ 3.57Å; D96-R165 IonicContact OD2-NE 2.74Å; D96-R165 IonicContact OD2-NH2 2.7Å; D96-R165 PolarHBondContact OD2-NH2 3.22Å; D96-L166 CarbonylContact C-O 3.5Å; D96-L166 WeakPolarHBondContact CA-O 3.25Å; D96-T167 WeakPolarHBondContact OD1-CA 3.38Å; D96-T167 VanDerWaalsContact OD1-CB 3.23Å; D96-T167 WeakPolarHBondContact OD1-CB 3.18Å; D96-T167 WeakPolarHBondContact OD1-CG2 3.29Å; D96-T167 PolarHBondContact OD1-OG1 3.47Å
97	V	95.7	Very high	94.7	Very high	0 Å²	0	45 Å²	45	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.5	-178	-56.2	0	0	0	0	112.2	I78 Y79 V80 M95 F99 R165 L166 I168	I78-V97 HydrophobicContact CG2-CB 4.15Å; I78-V97 HydrophobicContact CG2-CG1 4.11Å; Y79-V97 CarbonylContact O-C 3.58Å; Y79-V97 WeakPolarHBondContact O-CA 3.37Å; V80-V97 HydrophobicContact CG2-CG1 4.13Å; M95-V97 HydrophobicContact CG-CG1 4.05Å; M95-V97 HydrophobicContact SD-CG1 4.18Å; V97-F99 HydrophobicContact CG2-CB 4.32Å; V97-R165 WeakPolarHBondContact O-CA 3.38Å; V97-L166 HydrophobicContact CG2-CB 4.12Å; V97-L166 PolarHBondContact N-O 2.85Å; V97-L166 PolarHBondContact O-N 2.87Å; V97-I168 HydrophobicContact CG2-CD1 3.68Å; V97-I168 HydrophobicContact CG2-CG1 4.46Å
98	F	96.1	Very high	94.7	Very high	78 Å²	78	43.7 Å²	43.7	34%	0.342	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.7	152.1	-67.8	-66.9	0	0	0	108.2	Y79 T81 T163 M164 R165	Y79-F98 HydrophobicContact CD1-CD2 4.08Å; Y79-F98 PolarHBondContact N-O 3.44Å; Y79-F98 VanDerWaalsContact N-O 3.09Å; Y79-F98 PolarHBondContact O-N 2.65Å; T81-F98 HydrophobicContact CG2-CD2 3.37Å; T81-F98 HydrophobicContact CG2-CE2 3.38Å; T81-F98 HydrophobicContact CG2-CG 4.36Å; T81-F98 HydrophobicContact CG2-CZ 4.38Å; F98-T163 HydrophobicContact CB-CG2 4.21Å; F98-T163 HydrophobicContact CD1-CG2 4.43Å; F98-M164 CarbonylContact C-O 3.08Å; F98-M164 WeakPolarHBondContact CA-O 3.35Å; F98-R165 HydrophobicContact CD1-CB 3.82Å; F98-R165 HydrophobicContact CD1-CG 4.08Å; F98-R165 HydrophobicContact CE1-CB 3.74Å; F98-R165 HydrophobicContact CE1-CG 3.89Å
99	F	96.9	Very high	94.7	Very high	2 Å²	2	50.1 Å²	50.1	1%	0.009	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.8	174.2	-170.5	-113.2	0	0	0	109	T76 I78 V97 Q101 T132 F134 T163 M164 L166 F190	T76-F99 HydrophobicContact CG2-CZ 4.18Å; I78-F99 HydrophobicContact CD1-CD2 4.17Å; I78-F99 HydrophobicContact CD1-CE2 4.11Å; I78-F99 HydrophobicContact CG1-CD2 3.97Å; I78-F99 HydrophobicContact CG1-CE2 4.17Å; V97-F99 HydrophobicContact CG2-CB 4.32Å; F99-Q101 HydrophobicContact CD1-CG 3.95Å; F99-Q101 VanDerWaalsContact CE1-CD 3.41Å; F99-Q101 HydrophobicContact CE1-CG 3.61Å; F99-Q101 HydrophobicContact CZ-CG 4.3Å; F99-T132 HydrophobicContact CE1-CG2 3.81Å; F99-T132 HydrophobicContact CZ-CG2 3.79Å; F99-F134 HydrophobicContact CD2-CZ 4.29Å; F99-F134 HydrophobicContact CE2-CZ 4.38Å; F99-F134 HydrophobicContact CG-CZ 4.45Å; F99-T163 CarbonylContact O-C 3.59Å; F99-T163 WeakPolarHBondContact O-CA 3.38Å; F99-M164 HydrophobicContact CB-CG 4.1Å; F99-M164 HydrophobicContact CD1-CE 4.37Å; F99-M164 HydrophobicContact CD1-CG 4.49Å; F99-M164 PolarHBondContact N-O 3.17Å; F99-M164 PolarHBondContact O-N 3.31Å; F99-L166 HydrophobicContact CB-CD1 4.16Å; F99-F190 HydrophobicContact CE2-CD1 4.46Å; F99-F190 HydrophobicContact CE2-CD2 4.02Å; F99-F190 HydrophobicContact CE2-CE1 4.26Å; F99-F190 AromaticContact CE2-CE2 3.8Å; F99-F190 HydrophobicContact CE2-CE2 3.8Å; F99-F190 HydrophobicContact CE2-CG 4.35Å; F99-F190 AromaticContact CE2-CZ 3.91Å; F99-F190 HydrophobicContact CE2-CZ 3.91Å; F99-F190 AromaticContact CZ-CD2 3.74Å; F99-F190 HydrophobicContact CZ-CD2 3.74Å; F99-F190 AromaticContact CZ-CE2 3.72Å; F99-F190 HydrophobicContact CZ-CE2 3.72Å; F99-F190 HydrophobicContact CZ-CG 4.36Å; F99-F190 HydrophobicContact CZ-CZ 4.31Å
100	R	96.4	Very high	94.6	Very high	62 Å²	62	46.6 Å²	46.6	23%	0.234	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	140	-176.2	-58	163.2	176.8	162.8	6.2	110.2	T76 D77 Y162 T163 E213	T76-R100 WeakPolarHBondContact CA-O 3.43Å; D77-R100 HydrophobicContact CB-CB 4.06Å; D77-R100 PolarHBondContact N-O 3.4Å; D77-R100 VanDerWaalsContact N-O 3.07Å; D77-R100 WeakPolarHBondContact O-CA 3.42Å; D77-R100 VanDerWaalsContact O-CB 3.31Å; D77-R100 WeakPolarHBondContact O-CB 3.31Å; D77-R100 PolarHBondContact O-N 2.92Å; D77-R100 IonicContact OD1-NH1 3.76Å; D77-R100 WeakPolarHBondContact OD2-CD 3.23Å; D77-R100 IonicContact OD2-CZ 3.66Å; D77-R100 IonicContact OD2-NE 3.89Å; D77-R100 IonicContact OD2-NH1 3.46Å; D77-R100 PolarHBondContact OD2-NH1 3.01Å; R100-Y162 CarbonylContact C-O 3.55Å; R100-Y162 WeakPolarHBondContact CA-O 3.39Å; R100-T163 HydrophobicContact CG-CG2 3.7Å; R100-E213 IonicContact NH1-OE2 3.96Å
101	Q	97.1	Very high	94.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.4	-177.7	-50.3	-163.6	-91.1	0	0	109.9	V74 K75 T76 F99 W103 T132 Y162	V74-Q101 HydrophobicContact CG1-CB 4.23Å; K75-Q101 CarbonylContact O-C 3.54Å; K75-Q101 WeakPolarHBondContact O-CA 3.38Å; T76-Q101 HydrophobicContact CG2-CG 4.25Å; F99-Q101 HydrophobicContact CD1-CG 3.95Å; F99-Q101 VanDerWaalsContact CE1-CD 3.41Å; F99-Q101 HydrophobicContact CE1-CG 3.61Å; F99-Q101 HydrophobicContact CZ-CG 4.3Å; Q101-W103 HydrophobicContact CB-CE3 4.27Å; Q101-W103 HydrophobicContact CB-CZ3 4Å; Q101-T132 PolarHBondContact NE2-OG1 2.63Å; Q101-T132 PolarHBondContact OE1-OG1 3.33Å; Q101-Y162 PolarHBondContact N-O 3.43Å; Q101-Y162 PolarHBondContact O-N 3.26Å
102	T	97	Very high	93.9	Very high	35 Å²	35	45.4 Å²	45.4	22%	0.215	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	121.2	-179.7	-53.8	0	0	0	0	110.2	K75 T159 I160	K75-T102 PolarHBondContact N-O 3.02Å; K75-T102 PolarHBondContact O-N 3.28Å; T102-T159 HydrophobicContact CG2-CG2 3.5Å; T102-I160 VanDerWaalsContact CA-O 3.24Å; T102-I160 WeakPolarHBondContact CA-O 3.47Å
103	W	96.8	Very high	93.3	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.019	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	176.1	174.9	67.8	96.7	0	0	0	110.4	E73 V74 Q101 W128 T129 P130 F152 T159 I160 Y162	E73-W103 WeakPolarHBondContact O-CB 3.44Å; V74-W103 HydrophobicContact CG2-CB 4.22Å; Q101-W103 HydrophobicContact CB-CE3 4.27Å; Q101-W103 HydrophobicContact CB-CZ3 4Å; W103-W128 AromaticContact CD1-CZ3 3.88Å; W103-W128 HydrophobicContact CD2-CZ3 4.36Å; W103-W128 AromaticContact CE2-CZ3 3.99Å; W103-W128 HydrophobicContact CG-CZ3 4.31Å; W103-W128 HydrophobicContact CZ2-CE3 4.46Å; W103-W128 WeakPolarHBondContact CZ2-O 3.41Å; W103-W128 AromaticContact NE1-CE3 3.68Å; W103-W128 AromaticContact NE1-CZ3 3.65Å; W103-T129 HydrophobicContact CH2-CG2 4.15Å; W103-T129 HydrophobicContact CZ2-CG2 4.34Å; W103-P130 HydrophobicContact CE3-CG 4.11Å; W103-P130 HydrophobicContact CH2-CG 4.43Å; W103-P130 HydrophobicContact CZ3-CG 3.97Å; W103-F152 HydrophobicContact CH2-CE2 4.23Å; W103-F152 HydrophobicContact CZ2-CE2 4.42Å; W103-T159 CarbonylContact O-C 3.56Å; W103-T159 WeakPolarHBondContact O-CA 3.45Å; W103-I160 HydrophobicContact CD2-CB 4.27Å; W103-I160 HydrophobicContact CH2-CG2 3.94Å; W103-I160 HydrophobicContact CZ2-CB 4.09Å; W103-I160 HydrophobicContact CZ2-CD1 3.85Å; W103-I160 HydrophobicContact CZ2-CG2 3.81Å; W103-I160 HydrophobicContact CZ3-CG2 4.45Å; W103-I160 PolarHBondContact N-O 2.77Å; W103-I160 VanDerWaalsContact N-O 3.16Å; W103-I160 PolarHBondContact O-N 2.84Å; W103-Y162 HydrophobicContact CH2-CD1 4.06Å; W103-Y162 HydrophobicContact CH2-CG 4.25Å; W103-Y162 HydrophobicContact CZ3-CD1 4.23Å; W103-Y162 HydrophobicContact CZ3-CG 4.43Å
104	M	95.6	Very high	92.8	Very high	92 Å²	92	49.5 Å²	49.5	45%	0.453	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.5	177.9	178.2	178.6	53.8	0	0	110.3
105	D	95.4	Very high	92.4	Very high	2 Å²	2	55.4 Å²	55.4	1%	0.011	26%	0.255	C	S	.	.			trans	-107.3	107.1	166.3	-165.2	-17.6	0	0	0	110	Y59 P65 R107 L108 G158 I160	Y59-D105 VanDerWaalsContact CE2-OD2 3.32Å; Y59-D105 WeakPolarHBondContact CE2-OD2 3.44Å; Y59-D105 PolarHBondContact OH-OD2 2.69Å; P65-D105 HydrophobicContact CB-CB 4.04Å; P65-D105 HydrophobicContact CG-CB 3.87Å; D105-R107 PolarHBondContact O-N 2.89Å; D105-R107 VanDerWaalsContact O-N 3.14Å; D105-R107 VanDerWaalsContact OD1-CB 3.26Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 WeakPolarHBondContact OD1-CG 3.29Å; D105-R107 IonicContact OD1-CZ 3.5Å; D105-R107 PolarHBondContact OD1-N 3.25Å; D105-R107 IonicContact OD1-NE 3.55Å; D105-R107 PolarHBondContact OD1-NE 2.86Å; D105-R107 IonicContact OD1-NH2 3.67Å; D105-R107 IonicContact OD2-CZ 2.22Å; D105-R107 VanDerWaalsContact OD2-CZ 3.31Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 PolarHBondContact OD2-NE 2.67Å; D105-R107 VanDerWaalsContact OD2-NE 3.09Å; D105-R107 IonicContact OD2-NH2 3.7Å; D105-R107 PolarHBondContact OD2-NH2 2.74Å; D105-L108 HydrophobicContact CB-CD1 4.43Å; D105-L108 HydrophobicContact CB-CG 4.33Å; D105-L108 PolarHBondContact O-N 2.91Å; D105-L108 VanDerWaalsContact O-N 3.15Å; D105-G158 PolarHBondContact N-O 2.96Å; D105-G158 WeakPolarHBondContact O-CA 3.33Å; D105-I160 HydrophobicContact CB-CD1 4.08Å
106	R	92.6	Very high	92.3	Very high	179 Å²	179	58.2 Å²	58.2	68%	0.675	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-62.3	-20	-179.7	-64.9	-178.8	-179.6	173.4	1	112.9	R109	R106-R109 WeakPolarHBondContact O-CG 3.36Å
107	R	93.4	Very high	92	Very high	88 Å²	88	57.1 Å²	57.1	33%	0.332	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-70.7	-32.8	177.5	-60.3	174.7	-71.9	-179.2	-1.2	112.1	Y59 D60 L63 D105 R109	Y59-R107 HydrophobicContact CD2-CB 3.89Å; Y59-R107 HydrophobicContact CE2-CB 3.83Å; Y59-R107 PolarHBondContact OH-NH2 3.16Å; Y59-R107 VanDerWaalsContact OH-NH2 3.11Å; D60-R107 PolarHBondContact O-NH1 3.39Å; L63-R107 PolarHBondContact O-NH1 2.72Å; L63-R107 PolarHBondContact O-NH2 3.15Å; D105-R107 PolarHBondContact O-N 2.89Å; D105-R107 VanDerWaalsContact O-N 3.14Å; D105-R107 VanDerWaalsContact OD1-CB 3.26Å; D105-R107 WeakPolarHBondContact OD1-CB 3.37Å; D105-R107 WeakPolarHBondContact OD1-CG 3.29Å; D105-R107 IonicContact OD1-CZ 3.5Å; D105-R107 PolarHBondContact OD1-N 3.25Å; D105-R107 IonicContact OD1-NE 3.55Å; D105-R107 PolarHBondContact OD1-NE 2.86Å; D105-R107 IonicContact OD1-NH2 3.67Å; D105-R107 IonicContact OD2-CZ 2.22Å; D105-R107 VanDerWaalsContact OD2-CZ 3.31Å; D105-R107 IonicContact OD2-NE 3.4Å; D105-R107 PolarHBondContact OD2-NE 2.67Å; D105-R107 VanDerWaalsContact OD2-NE 3.09Å; D105-R107 IonicContact OD2-NH2 3.7Å; D105-R107 PolarHBondContact OD2-NH2 2.74Å; R107-R109 PolarHBondContact O-N 3.34Å
108	L	92.8	Very high	91.6	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-91.2	27	-178.6	-53.6	-178.3	0	0	0	112.8	L55 Y59 D105 V127 I154 I160	L55-L108 HydrophobicContact CD2-CB 4.21Å; L55-L108 HydrophobicContact CD2-CD2 4.04Å; L55-L108 HydrophobicContact CG-CB 4.29Å; L55-L108 HydrophobicContact CG-CD2 3.89Å; L55-L108 WeakPolarHBondContact O-CD2 3.39Å; Y59-L108 HydrophobicContact CD2-CD2 3.52Å; Y59-L108 HydrophobicContact CD2-CG 4.35Å; Y59-L108 HydrophobicContact CE2-CD1 4.35Å; Y59-L108 HydrophobicContact CE2-CD2 3.44Å; Y59-L108 VanDerWaalsContact CE2-CD2 3.44Å; Y59-L108 HydrophobicContact CE2-CG 3.81Å; Y59-L108 HydrophobicContact CG-CD2 4.3Å; D105-L108 HydrophobicContact CB-CD1 4.43Å; D105-L108 HydrophobicContact CB-CG 4.33Å; D105-L108 PolarHBondContact O-N 2.91Å; D105-L108 VanDerWaalsContact O-N 3.15Å; L108-V127 HydrophobicContact CD1-CG1 3.49Å; L108-V127 VanDerWaalsContact CD1-CG1 3.49Å; L108-V127 HydrophobicContact CD1-CG2 4.22Å; L108-I154 HydrophobicContact CB-CD1 4.39Å; L108-I154 HydrophobicContact CB-CG2 4.2Å; L108-I154 HydrophobicContact CD1-CD1 3.92Å; L108-I160 HydrophobicContact CD1-CD1 3.45Å; L108-I160 VanDerWaalsContact CD1-CD1 3.45Å; L108-I160 HydrophobicContact CD1-CG1 4.32Å
109	R	92.4	Very high	91	Very high	149 Å²	149	64.1 Å²	64.1	56%	0.562	29%	0.29	S	S	*	.			trans	-76.4	135.1	169.1	-78	-172.5	61.3	-156.8	-7.2	109.5	R106 R107 N157	R106-R109 WeakPolarHBondContact O-CG 3.36Å; R107-R109 PolarHBondContact O-N 3.34Å; R109-N157 WeakPolarHBondContact CG-O 3.48Å
110	Y	90	Very high	90.3	Very high	14 Å²	14	69.2 Å²	69.2	6%	0.055	32%	0.317	C	S	.	.			trans	-134.4	153.6	177.1	66.8	-88.3	0	0	0	110.9	I51 L55 I114 E115 I116 L117 I154 K156	I51-Y110 HydrophobicContact CG2-CD2 4.03Å; I51-Y110 HydrophobicContact CG2-CG 4.06Å; L55-Y110 HydrophobicContact CD1-CD1 4.21Å; L55-Y110 HydrophobicContact CD1-CG 4.41Å; Y110-I114 VanDerWaalsContact CE2-O 3.23Å; Y110-I114 WeakPolarHBondContact CE2-O 3.41Å; Y110-I114 PolarHBondContact OH-O 2.98Å; Y110-E115 VanDerWaalsContact OH-C 3.28Å; Y110-E115 PolarHBondContact OH-O 3.19Å; Y110-I116 PolarHBondContact OH-N 3.37Å; Y110-L117 HydrophobicContact CD1-CD1 3.76Å; Y110-L117 HydrophobicContact CD1-CG 4.44Å; Y110-L117 HydrophobicContact CD2-CD1 4.47Å; Y110-L117 HydrophobicContact CE1-CD1 3.56Å; Y110-L117 HydrophobicContact CE1-CG 3.77Å; Y110-L117 HydrophobicContact CE2-CD1 4.32Å; Y110-L117 HydrophobicContact CE2-CG 4.21Å; Y110-L117 HydrophobicContact CG-CD1 4.23Å; Y110-I154 HydrophobicContact CD1-CG2 4.49Å; Y110-I154 HydrophobicContact CE1-CG2 4.24Å; Y110-K156 HydrophobicContact CE1-CB 4.47Å; Y110-K156 HydrophobicContact CE2-CB 4.41Å; Y110-K156 HydrophobicContact CE2-CG 4.27Å; Y110-K156 VanDerWaalsContact O-CG 3.29Å; Y110-K156 WeakPolarHBondContact O-CG 3.27Å
111	E	87.1	Confident	89.4	Confident	131 Å²	131	68 Å²	68	61%	0.612	32%	0.315	S	S	*	.			trans	-107.8	134	170.6	-75.4	-59.2	144.5	0	0	110.3	K156	E111-K156 WeakPolarHBondContact OE1-CE 3.49Å; E111-K156 IonicContact OE1-NZ 2.71Å; E111-K156 WeakPolarHBondContact OE2-CE 3.44Å; E111-K156 IonicContact OE2-NZ 3.73Å; E111-K156 PolarHBondContact OE2-NZ 3Å
112	G	83.3	Confident	88.4	Confident	21 Å²	21	75 Å²	75	22%	0.216	35%	0.35	C	S	.	.	S	Bend	trans	172	175.4	-175	0	0	0	0	0	112.1	I114 K156	G112-I114 PolarHBondContact O-N 3.24Å; G112-K156 PolarHBondContact O-NZ 3.37Å; G112-K156 VanDerWaalsContact O-NZ 3.15Å
113	P	82.3	Confident	87.5	Confident	90 Å²	90	74.4 Å²	74.4	58%	0.584	35%	0.345	S	S	*	.	S	Bend	trans	-82.4	8.7	-176.4	33.3	-35.2	0	0	0	114.1
114	I	84.3	Confident	86.8	Confident	29 Å²	29	74.5 Å²	74.5	15%	0.149	35%	0.346	C	S	.	.			trans	-123.8	123.7	-170.4	-47.1	179.6	0	0	0	109.6	I43 F48 Y110 G112	I43-I114 HydrophobicContact CG2-CD1 3.89Å; I43-I114 HydrophobicContact CG2-CG1 4.35Å; F48-I114 HydrophobicContact CD1-CD1 3.88Å; F48-I114 HydrophobicContact CE1-CD1 3.18Å; F48-I114 HydrophobicContact CE2-CD1 3.99Å; F48-I114 HydrophobicContact CZ-CD1 3.27Å; Y110-I114 VanDerWaalsContact CE2-O 3.23Å; Y110-I114 WeakPolarHBondContact CE2-O 3.41Å; Y110-I114 PolarHBondContact OH-O 2.98Å; G112-I114 PolarHBondContact O-N 3.24Å
115	E	87.2	Confident	86.3	Confident	155 Å²	155	73.7 Å²	73.7	72%	0.724	35%	0.35	S	S	*	.	S	Bend	trans	-76	-26.7	-177.8	-60.2	-176.9	152.7	0	0	113.8	Y110 M155 K156	Y110-E115 VanDerWaalsContact OH-C 3.28Å; Y110-E115 PolarHBondContact OH-O 3.19Å; E115-M155 CarbonylContact O-C 3.55Å; E115-M155 VanDerWaalsContact O-CA 3.32Å; E115-M155 WeakPolarHBondContact O-CA 3.37Å; E115-K156 PolarHBondContact O-N 3.44Å
116	I	90.7	Very high	86	Confident	60 Å²	60	77.4 Å²	77.4	31%	0.308	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	109	-173.2	-49.6	-173.9	0	0	0	110.8	Y110 R118 R153 M155	Y110-I116 PolarHBondContact OH-N 3.37Å; I116-R118 HydrophobicContact CG2-CG 4.33Å; I116-R153 HydrophobicContact CG2-CB 4Å; I116-R153 HydrophobicContact CG2-CG 4.27Å; I116-M155 HydrophobicContact CB-SD 4.07Å; I116-M155 HydrophobicContact CD1-SD 3.79Å; I116-M155 HydrophobicContact CG1-SD 3.58Å; I116-M155 VanDerWaalsContact CG1-SD 3.58Å; I116-M155 HydrophobicContact CG2-CE 4.48Å; I116-M155 HydrophobicContact CG2-SD 3.67Å
117	L	88.4	Confident	85.9	Confident	6 Å²	6	69.1 Å²	69.1	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	129.2	164.2	-64.2	174.4	0	0	0	109.5	F48 I51 L52 Y110 L119 R153 I154	F48-L117 HydrophobicContact CD1-CD2 4.38Å; I51-L117 HydrophobicContact CG2-CD1 4.09Å; L52-L117 HydrophobicContact CD2-CD1 4.08Å; Y110-L117 HydrophobicContact CD1-CD1 3.76Å; Y110-L117 HydrophobicContact CD1-CG 4.44Å; Y110-L117 HydrophobicContact CD2-CD1 4.47Å; Y110-L117 HydrophobicContact CE1-CD1 3.56Å; Y110-L117 HydrophobicContact CE1-CG 3.77Å; Y110-L117 HydrophobicContact CE2-CD1 4.32Å; Y110-L117 HydrophobicContact CE2-CG 4.21Å; Y110-L117 HydrophobicContact CG-CD1 4.23Å; L117-L119 HydrophobicContact CB-CD2 4.13Å; L117-L119 HydrophobicContact CB-CG 4.46Å; L117-R153 VanDerWaalsContact O-CA 3.23Å; L117-R153 WeakPolarHBondContact O-CA 3.46Å; L117-I154 HydrophobicContact CB-CB 4.45Å; L117-I154 PolarHBondContact N-O 2.98Å; L117-I154 PolarHBondContact O-N 3.03Å
118	R	88.6	Confident	86	Confident	197 Å²	197	65.3 Å²	65.3	74%	0.743	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	111.8	176.9	-58.5	176.3	-173.6	176.4	2.2	107.7	I116 R153	I116-R118 HydrophobicContact CG2-CG 4.33Å; R118-R153 HydrophobicContact CG-CG 4.46Å
119	L	83.9	Confident	86.1	Confident	28 Å²	28	67.6 Å²	67.6	15%	0.147	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	149.9	-165.4	-58.7	-178	0	0	0	112.8	L52 L117 M123 F152 I154	L52-L119 HydrophobicContact CD2-CD2 3.47Å; L52-L119 VanDerWaalsContact CD2-CD2 3.47Å; L117-L119 HydrophobicContact CB-CD2 4.13Å; L117-L119 HydrophobicContact CB-CG 4.46Å; L119-M123 HydrophobicContact CB-CB 4.47Å; L119-M123 HydrophobicContact CD1-CE 3.97Å; L119-M123 HydrophobicContact CD1-CG 4.09Å; L119-M123 HydrophobicContact CD1-SD 3.56Å; L119-M123 VanDerWaalsContact CD1-SD 3.56Å; L119-M123 HydrophobicContact CD2-SD 3.9Å; L119-M123 HydrophobicContact CG-SD 4.22Å; L119-F152 HydrophobicContact CB-CD1 4.38Å; L119-F152 HydrophobicContact CD1-CD1 3.88Å; L119-F152 HydrophobicContact CD1-CE1 4.19Å; L119-F152 PolarHBondContact N-O 3.34Å; L119-I154 HydrophobicContact CD1-CD1 3.52Å; L119-I154 HydrophobicContact CD1-CG1 3.85Å
120	N	80.6	Confident	86.3	Confident	110 Å²	110	60.9 Å²	60.9	59%	0.588	31%	0.314	S	S	*	.			trans	-79.4	155.1	172.7	-169.6	7	0	0	0	110.5	M122 M123	N120-M122 PolarHBondContact O-N 3.12Å; N120-M123 PolarHBondContact O-N 3.33Å
121	N	77.8	Confident	86.5	Confident	36 Å²	36	62.4 Å²	62.4	19%	0.193	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-50.8	-32.5	-176.2	-72.5	-38.7	0	0	0	114.8	M123 V124 P148 R150	N121-M123 PolarHBondContact O-N 3.02Å; N121-V124 WeakPolarHBondContact O-CB 3.42Å; N121-V124 WeakPolarHBondContact O-CG2 3.3Å; N121-V124 PolarHBondContact O-N 3.32Å; N121-V124 VanDerWaalsContact O-N 3.14Å; N121-P148 HydrophobicContact CB-CB 4.45Å; N121-P148 PolarHBondContact ND2-O 2.9Å; N121-R150 WeakPolarHBondContact OD1-CB 3.46Å; N121-R150 PolarHBondContact OD1-O 2.74Å
122	M	76.1	Confident	87	Confident	147 Å²	147	57.5 Å²	57.5	72%	0.724	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-65.9	-21.6	-179.6	-55.4	-161.8	-52.6	0	0	113.8	N120 S125	N120-M122 PolarHBondContact O-N 3.12Å; M122-S125 PolarHBondContact O-OG 3.05Å; M122-S125 VanDerWaalsContact O-OG 3.1Å
123	M	78.7	Confident	87.6	Confident	24 Å²	24	59.7 Å²	59.7	12%	0.118	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-83.3	-17.3	176.5	-165.9	159.9	173.4	0	0	112.3	L52 L55 L56 L119 N120 N121 S125 N126	L52-M123 HydrophobicContact CD2-CE 3.98Å; L52-M123 HydrophobicContact CD2-SD 3.95Å; L55-M123 HydrophobicContact CD2-CE 3.92Å; L56-M123 HydrophobicContact CD1-CE 4.02Å; L56-M123 HydrophobicContact CD1-CG 4.47Å; L56-M123 HydrophobicContact CD2-CE 4.04Å; L56-M123 HydrophobicContact CG-CE 3.93Å; L119-M123 HydrophobicContact CB-CB 4.47Å; L119-M123 HydrophobicContact CD1-CE 3.97Å; L119-M123 HydrophobicContact CD1-CG 4.09Å; L119-M123 HydrophobicContact CD1-SD 3.56Å; L119-M123 VanDerWaalsContact CD1-SD 3.56Å; L119-M123 HydrophobicContact CD2-SD 3.9Å; L119-M123 HydrophobicContact CG-SD 4.22Å; N120-M123 PolarHBondContact O-N 3.33Å; N121-M123 PolarHBondContact O-N 3.02Å; M123-S125 VanDerWaalsContact C-N 3.35Å; M123-S125 PolarHBondContact O-N 3.41Å; M123-N126 PolarHBondContact O-N 2.98Å
124	V	82.1	Confident	88.3	Confident	6 Å²	6	56.6 Å²	56.6	4%	0.036	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-69.7	-30.7	-176.8	-173.3	0	0	0	0	112.1	N121 N126 T129 F152 Y162	N121-V124 WeakPolarHBondContact O-CB 3.42Å; N121-V124 WeakPolarHBondContact O-CG2 3.3Å; N121-V124 PolarHBondContact O-N 3.32Å; N121-V124 VanDerWaalsContact O-N 3.14Å; V124-N126 VanDerWaalsContact C-N 3.26Å; V124-N126 PolarHBondContact O-N 3.3Å; V124-T129 HydrophobicContact CG1-CG2 4.32Å; V124-F152 HydrophobicContact CB-CD2 4.42Å; V124-F152 HydrophobicContact CG1-CD2 3.9Å; V124-F152 HydrophobicContact CG1-CE2 4.27Å; V124-F152 HydrophobicContact CG2-CB 3.59Å; V124-F152 HydrophobicContact CG2-CD2 3.93Å; V124-F152 HydrophobicContact CG2-CG 3.83Å; V124-Y162 HydrophobicContact CG1-CD2 4.43Å; V124-Y162 HydrophobicContact CG1-CE2 3.81Å
125	S	84.1	Confident	88.8	Confident	76 Å²	76	59 Å²	59	53%	0.531	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-70.2	-21.9	173.9	46.4	0	0	0	0	113.6	N61 M122 M123	N61-S125 PolarHBondContact ND2-O 3.06Å; M122-S125 PolarHBondContact O-OG 3.05Å; M122-S125 VanDerWaalsContact O-OG 3.1Å; M123-S125 VanDerWaalsContact C-N 3.35Å; M123-S125 PolarHBondContact O-N 3.41Å
126	N	88.8	Confident	89.2	Confident	80 Å²	80	52.7 Å²	52.7	43%	0.428	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-96.4	0.1	-171.2	-57.7	7.8	0	0	0	111.9	L56 M123 V124	L56-N126 HydrophobicContact CD1-CB 4.25Å; M123-N126 PolarHBondContact O-N 2.98Å; V124-N126 VanDerWaalsContact C-N 3.26Å; V124-N126 PolarHBondContact O-N 3.3Å
127	V	92.2	Very high	89.4	Confident	5 Å²	5	51.2 Å²	51.2	3%	0.03	26%	0.261	C	S	.	.	S	Bend	trans	-119.1	146.4	-179.9	178.2	0	0	0	0	108.9	L56 Y59 L108 T129 F152 I160	L56-V127 HydrophobicContact CD2-CG2 4.1Å; Y59-V127 HydrophobicContact CE1-CG1 4.43Å; L108-V127 HydrophobicContact CD1-CG1 3.49Å; L108-V127 VanDerWaalsContact CD1-CG1 3.49Å; L108-V127 HydrophobicContact CD1-CG2 4.22Å; V127-T129 PolarHBondContact O-N 3.05Å; V127-F152 HydrophobicContact CB-CZ 4.05Å; V127-F152 HydrophobicContact CG1-CE1 4.45Å; V127-F152 HydrophobicContact CG1-CZ 3.74Å; V127-F152 HydrophobicContact CG2-CZ 4.44Å; V127-I160 HydrophobicContact CG1-CD1 4.05Å
128	W	94.9	Very high	89.7	Confident	8 Å²	8	55.5 Å²	55.5	3%	0.03	28%	0.28	C	S	.	.			trans	-64.9	134.7	174.1	177.5	94.3	0	0	0	110.1	Y59 N61 R64 P65 T72 W103 P130 Y195 M200	Y59-W128 WeakPolarHBondContact OH-CB 3.38Å; Y59-W128 PolarHBondContact OH-N 2.87Å; Y59-W128 VanDerWaalsContact OH-N 3.15Å; N61-W128 WeakPolarHBondContact O-CB 3.48Å; R64-W128 HydrophobicContact CB-CZ2 3.81Å; P65-W128 VanDerWaalsContact CD-CD2 3.47Å; P65-W128 HydrophobicContact CG-CD2 4.26Å; P65-W128 HydrophobicContact CG-CE3 3.68Å; P65-W128 HydrophobicContact CG-CZ3 3.92Å; T72-W128 HydrophobicContact CG2-CH2 4.09Å; T72-W128 HydrophobicContact CG2-CZ3 4.28Å; W103-W128 AromaticContact CD1-CZ3 3.88Å; W103-W128 HydrophobicContact CD2-CZ3 4.36Å; W103-W128 AromaticContact CE2-CZ3 3.99Å; W103-W128 HydrophobicContact CG-CZ3 4.31Å; W103-W128 HydrophobicContact CZ2-CE3 4.46Å; W103-W128 WeakPolarHBondContact CZ2-O 3.41Å; W103-W128 AromaticContact NE1-CE3 3.68Å; W103-W128 AromaticContact NE1-CZ3 3.65Å; W128-P130 HydrophobicContact CH2-CB 3.97Å; W128-P130 HydrophobicContact CZ3-CB 4.36Å; W128-Y195 HydrophobicContact CZ2-CD2 4.45Å; W128-Y195 AromaticContact CZ2-CE2 3.84Å; W128-Y195 HydrophobicContact CZ2-CE2 3.84Å; W128-Y195 AromaticContact NE1-CE2 3.98Å; W128-Y195 AromaticContact NE1-CZ 3.74Å; W128-Y195 PolarHBondContact NE1-OH 3.15Å; W128-M200 HydrophobicContact CH2-SD 3.59Å; W128-M200 VanDerWaalsContact CH2-SD 3.59Å; W128-M200 HydrophobicContact CZ2-SD 3.99Å
129	T	94.5	Very high	89.9	Confident	48 Å²	48	52.9 Å²	52.9	29%	0.294	27%	0.274	S	S	.	.			trans	-130.7	143.2	174.4	59.3	0	0	0	0	110.4	W103 V124 V127 D131 F152 Y162	W103-T129 HydrophobicContact CH2-CG2 4.15Å; W103-T129 HydrophobicContact CZ2-CG2 4.34Å; V124-T129 HydrophobicContact CG1-CG2 4.32Å; V127-T129 PolarHBondContact O-N 3.05Å; T129-D131 PolarHBondContact O-N 2.98Å; T129-F152 HydrophobicContact CG2-CE2 4.25Å; T129-Y162 HydrophobicContact CG2-CD1 4.36Å; T129-Y162 HydrophobicContact CG2-CE1 4.21Å
130	P	96.3	Very high	90.3	Very high	7 Å²	7	54.3 Å²	54.3	5%	0.045	29%	0.286	C	S	.	.			trans	-63.8	134	-179.8	27.1	-35	0	0	0	111.8	V74 W103 W128 T132 M200	V74-P130 HydrophobicContact CG1-CB 4.49Å; V74-P130 HydrophobicContact CG1-CG 4.11Å; V74-P130 HydrophobicContact CG2-CB 4.18Å; V74-P130 HydrophobicContact CG2-CG 4.42Å; W103-P130 HydrophobicContact CE3-CG 4.11Å; W103-P130 HydrophobicContact CH2-CG 4.43Å; W103-P130 HydrophobicContact CZ3-CG 3.97Å; W128-P130 HydrophobicContact CH2-CB 3.97Å; W128-P130 HydrophobicContact CZ3-CB 4.36Å; P130-T132 PolarHBondContact O-N 2.73Å; P130-T132 PolarHBondContact O-OG1 2.86Å; P130-M200 HydrophobicContact CB-CE 3.95Å; P130-M200 HydrophobicContact CB-SD 3.88Å
131	D	95.3	Very high	90.9	Very high	46 Å²	46	52.4 Å²	52.4	25%	0.246	28%	0.278	C	S	.	.			trans	-74.4	51.1	-174.8	68.7	-31.3	0	0	0	113.3	T129 F133 S192 Y193 A194 Y195 M200	T129-D131 PolarHBondContact O-N 2.98Å; D131-F133 PolarHBondContact O-N 3.49Å; D131-S192 WeakPolarHBondContact OD1-CB 3.42Å; D131-S192 PolarHBondContact OD1-OG 2.63Å; D131-S192 PolarHBondContact OD2-OG 3.27Å; D131-S192 VanDerWaalsContact OD2-OG 3.06Å; D131-Y193 PolarHBondContact O-N 2.81Å; D131-Y193 WeakPolarHBondContact OD2-CB 3.44Å; D131-Y193 PolarHBondContact OD2-N 2.79Å; D131-A194 WeakPolarHBondContact OD2-CB 3.5Å; D131-A194 PolarHBondContact OD2-N 2.77Å; D131-Y195 WeakPolarHBondContact OD1-CD2 3.38Å; D131-M200 WeakPolarHBondContact OD1-CE 3.28Å
132	T	96.4	Very high	91.7	Very high	29 Å²	29	53 Å²	53	18%	0.178	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	121.1	-165.7	-40.7	0	0	0	0	110.8	F99 Q101 P130 F190 G191 Y202	F99-T132 HydrophobicContact CE1-CG2 3.81Å; F99-T132 HydrophobicContact CZ-CG2 3.79Å; Q101-T132 PolarHBondContact NE2-OG1 2.63Å; Q101-T132 PolarHBondContact OE1-OG1 3.33Å; P130-T132 PolarHBondContact O-N 2.73Å; P130-T132 PolarHBondContact O-OG1 2.86Å; T132-F190 HydrophobicContact CG2-CD2 3.96Å; T132-G191 WeakPolarHBondContact CA-O 3.43Å; T132-Y202 HydrophobicContact CG2-CE1 3.92Å; T132-Y202 PolarHBondContact OG1-OH 3.32Å; T132-Y202 VanDerWaalsContact OG1-OH 3.06Å
133	F	95.9	Very high	92.4	Very high	67 Å²	67	48 Å²	48	29%	0.294	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.2	178.7	87	-72.2	0	0	0	112.3	D131 R135 F190 G191 S192 Y193	D131-F133 PolarHBondContact O-N 3.49Å; F133-R135 HydrophobicContact CD2-CG 4.39Å; F133-R135 HydrophobicContact CE1-CG 3.9Å; F133-R135 HydrophobicContact CE2-CB 4.4Å; F133-R135 HydrophobicContact CE2-CG 3.67Å; F133-R135 HydrophobicContact CZ-CG 3.39Å; F133-F190 VanDerWaalsContact O-CA 3.23Å; F133-F190 WeakPolarHBondContact O-CA 3.46Å; F133-F190 WeakPolarHBondContact O-CB 3.41Å; F133-G191 WeakPolarHBondContact CD1-O 3.42Å; F133-G191 PolarHBondContact N-O 3.13Å; F133-G191 PolarHBondContact O-N 2.8Å; F133-G191 VanDerWaalsContact O-N 3.13Å; F133-S192 WeakPolarHBondContact CE1-O 3.36Å; F133-Y193 HydrophobicContact CD1-CD2 4.17Å; F133-Y193 HydrophobicContact CD1-CG 4.46Å; F133-Y193 AromaticContact CE1-CD2 3.92Å; F133-Y193 HydrophobicContact CE1-CD2 3.92Å; F133-Y193 HydrophobicContact CE1-CG 4.4Å; F133-Y193 HydrophobicContact CE2-CD2 4.33Å; F133-Y193 HydrophobicContact CG-CD2 4.49Å; F133-Y193 AromaticContact CZ-CD2 3.97Å; F133-Y193 HydrophobicContact CZ-CD2 3.97Å
134	F	97.1	Very high	93	Very high	25 Å²	25	52.4 Å²	52.4	11%	0.11	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.8	176.9	-61.9	-79.1	0	0	0	109.4	F99 N136 G137 L166 I168 L188 K189 F190	F99-F134 HydrophobicContact CD2-CZ 4.29Å; F99-F134 HydrophobicContact CE2-CZ 4.38Å; F99-F134 HydrophobicContact CG-CZ 4.45Å; F134-N136 VanDerWaalsContact C-N 3.29Å; F134-N136 PolarHBondContact O-N 3.47Å; F134-G137 PolarHBondContact O-N 3.34Å; F134-L166 HydrophobicContact CE2-CD1 3.57Å; F134-L166 HydrophobicContact CZ-CD1 3.88Å; F134-I168 HydrophobicContact CD1-CD1 4.14Å; F134-I168 HydrophobicContact CD2-CD1 4.26Å; F134-I168 HydrophobicContact CE1-CD1 3.66Å; F134-I168 HydrophobicContact CE2-CD1 3.82Å; F134-I168 HydrophobicContact CE2-CG1 4.36Å; F134-I168 HydrophobicContact CG-CD1 4.42Å; F134-I168 HydrophobicContact CG-CG2 4.42Å; F134-I168 HydrophobicContact CZ-CD1 3.5Å; F134-L188 HydrophobicContact CD1-CD1 3.49Å; F134-L188 VanDerWaalsContact CD1-CD1 3.49Å; F134-L188 HydrophobicContact CD1-CG 4.18Å; F134-L188 HydrophobicContact CE1-CD1 4.02Å; F134-L188 HydrophobicContact CE1-CD2 4.33Å; F134-L188 HydrophobicContact CE1-CG 4.36Å; F134-L188 HydrophobicContact CG-CD1 4.38Å; F134-K189 CarbonylContact C-O 3.56Å; F134-K189 WeakPolarHBondContact CA-O 3.38Å; F134-F190 HydrophobicContact CD1-CB 3.69Å; F134-F190 HydrophobicContact CE1-CB 3.81Å; F134-F190 HydrophobicContact CE1-CD1 4.28Å; F134-F190 HydrophobicContact CE1-CG 4.22Å; F134-F190 HydrophobicContact CG-CB 4.49Å
135	R	95.1	Very high	93.2	Very high	78 Å²	78	59 Å²	59	29%	0.294	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-26	-172.2	-77.8	176.9	176.1	-113.6	-3.4	113.5	F133 K189 S192	F133-R135 HydrophobicContact CD2-CG 4.39Å; F133-R135 HydrophobicContact CE1-CG 3.9Å; F133-R135 HydrophobicContact CE2-CB 4.4Å; F133-R135 HydrophobicContact CE2-CG 3.67Å; F133-R135 HydrophobicContact CZ-CG 3.39Å; R135-K189 HydrophobicContact CB-CB 4.21Å; R135-K189 PolarHBondContact N-O 2.94Å; R135-S192 PolarHBondContact NH2-O 2.99Å
136	N	96.5	Very high	93.2	Very high	24 Å²	24	62 Å²	62	13%	0.128	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.2	19.4	169.9	70	-48.6	0	0	0	112.6	F134 K138 A170 E171 P187 K189	F134-N136 VanDerWaalsContact C-N 3.29Å; F134-N136 PolarHBondContact O-N 3.47Å; N136-K138 PolarHBondContact O-N 2.98Å; N136-A170 CarbonylContact O-C 3.42Å; N136-A170 WeakPolarHBondContact O-CA 3.42Å; N136-E171 HydrophobicContact CB-CB 4.37Å; N136-E171 PolarHBondContact ND2-O 3.16Å; N136-E171 PolarHBondContact O-N 3.31Å; N136-P187 PolarHBondContact ND2-O 3.47Å; N136-K189 PolarHBondContact OD1-N 3.02Å
137	G	94.9	Very high	93	Very high	29 Å²	29	60.4 Å²	60.4	30%	0.299	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	107.8	175.5	0	0	0	0	0	111	F134 S169	F134-G137 PolarHBondContact O-N 3.34Å; G137-S169 WeakPolarHBondContact CA-O 3.45Å
138	K	93.6	Very high	92.7	Very high	95 Å²	95	63.1 Å²	63.1	41%	0.413	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	-38.1	174	-72.6	172	166.9	175.4	0	112	E90 E92 N136 S169 E171	E90-K138 PolarHBondContact O-NZ 3.43Å; E92-K138 HydrophobicContact CB-CD 4.16Å; E92-K138 WeakPolarHBondContact OE2-CD 3.28Å; E92-K138 WeakPolarHBondContact OE2-CE 3.24Å; E92-K138 IonicContact OE2-NZ 3.2Å; E92-K138 PolarHBondContact OE2-NZ 3.35Å; N136-K138 PolarHBondContact O-N 2.98Å; K138-S169 PolarHBondContact N-O 3.5Å; K138-E171 HydrophobicContact CD-CB 4.42Å; K138-E171 HydrophobicContact CG-CB 4.39Å
139	K	92.6	Very high	92.3	Very high	142 Å²	142	65.9 Å²	65.9	62%	0.617	37%	0.365	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	142.9	179.5	-173.8	177.4	-179.9	180	0	108.5	S169	K139-S169 PolarHBondContact N-O 3.26Å; K139-S169 WeakPolarHBondContact O-CB 3.34Å; K139-S169 PolarHBondContact O-N 2.93Å
140	S	92.6	Very high	92	Very high	58 Å²	58	69.1 Å²	69.1	41%	0.406	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	140.3	175.5	-64.4	0	0	0	0	109.7	T167	S140-T167 CarbonylContact C-O 3.46Å; S140-T167 WeakPolarHBondContact CA-O 3.42Å
141	V	94.3	Very high	91.6	Very high	71 Å²	71	71.7 Å²	71.7	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	115.9	-174.4	-177.4	0	0	0	0	108.9	L166 T167	V141-L166 WeakPolarHBondContact O-CA 3.29Å; V141-T167 PolarHBondContact N-O 2.86Å; V141-T167 PolarHBondContact O-N 3.05Å
142	A	93.8	Very high	91.4	Very high	49 Å²	49	69.6 Å²	69.6	41%	0.405	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	120	167.3	0	0	0	0	0	109.3	L166	A142-L166 HydrophobicContact CB-CD2 3.72Å
143	H	91.6	Very high	91.3	Very high	41 Å²	41	72.1 Å²	72.1	19%	0.19	38%	0.381	C	S	.	.			trans	-68.9	136.4	-175.8	-53.9	-99	0	0	0	111.3	D96 N149 R165 T167	D96-H143 IonicContact OD2-CE1 2.67Å; D96-H143 IonicContact OD2-NE2 2.67Å; H143-N149 HydrophobicContact CB-CB 4.26Å; H143-N149 WeakPolarHBondContact CB-ND2 3.46Å; H143-N149 WeakPolarHBondContact O-CB 3.4Å; H143-N149 PolarHBondContact O-N 2.85Å; H143-R165 VanDerWaalsContact CD2-CD 3.42Å; H143-R165 WeakPolarHBondContact CD2-CD 3.19Å; H143-R165 WeakPolarHBondContact CD2-CG 3.06Å; H143-R165 PolarHBondContact CD2-NE 2.95Å; H143-R165 PolarHBondContact CD2-O 3.01Å; H143-R165 PolarHBondContact N-O 3.29Å; H143-R165 PolarHBondContact NE2-NE 3.44Å; H143-T167 PolarHBondContact CE1-OG1 2.99Å; H143-T167 PolarHBondContact NE2-N 3.4Å; H143-T167 PolarHBondContact NE2-OG1 3.39Å
144	N	90.9	Very high	91.1	Very high	116 Å²	116	69 Å²	69	62%	0.62	37%	0.367	S	S	*	.			trans	-124.7	9.2	-175.1	65.7	-15.9	0	0	0	114.7	T146 A147	N144-T146 CarbonylContact O-C 3.51Å; N144-A147 VanDerWaalsContact C-C 3.5Å; N144-A147 CarbonylContact C-O 3.6Å; N144-A147 WeakPolarHBondContact CA-O 3.32Å; N144-A147 CarbonylContact O-C 3.58Å; N144-A147 WeakPolarHBondContact O-CA 3.48Å; N144-A147 PolarHBondContact O-N 2.89Å
145	M	85.9	Confident	91	Very high	145 Å²	145	69.7 Å²	69.7	71%	0.714	37%	0.371	S	S	*	.	S	Bend	trans	-108.6	132	-177.3	-170.4	64.5	67.2	0	0	110.7	A147 N149	M145-A147 VanDerWaalsContact C-N 3.29Å; M145-A147 PolarHBondContact N-O 3.46Å; M145-N149 PolarHBondContact O-ND2 2.63Å; M145-N149 VanDerWaalsContact O-ND2 3.07Å
146	T	85.1	Confident	90.9	Very high	140 Å²	140	69.1 Å²	69.1	86%	0.859	37%	0.371	S	S	*	.	S	Bend	cis	-77.9	-9.3	-10.1	49.4	0	0	0	0	113.6	N144	N144-T146 CarbonylContact O-C 3.51Å
147	A	83.9	Confident	90.7	Very high	46 Å²	46	72 Å²	72	38%	0.38	39%	0.386	S	S	.	.	S	Bend	trans	-138	168.2	171.2	0	0	0	0	0	109	N144 M145 N149	N144-A147 VanDerWaalsContact C-C 3.5Å; N144-A147 CarbonylContact C-O 3.6Å; N144-A147 WeakPolarHBondContact CA-O 3.32Å; N144-A147 CarbonylContact O-C 3.58Å; N144-A147 WeakPolarHBondContact O-CA 3.48Å; N144-A147 PolarHBondContact O-N 2.89Å; M145-A147 VanDerWaalsContact C-N 3.29Å; M145-A147 PolarHBondContact N-O 3.46Å; A147-N149 PolarHBondContact O-N 3.08Å; A147-N149 VanDerWaalsContact O-N 3.09Å
148	P	86	Confident	90.6	Very high	62 Å²	62	70.7 Å²	70.7	40%	0.403	37%	0.372	S	S	.	.			trans	-52	118.5	171.5	-26.1	35.1	0	0	0	111.2	N121 R150	N121-P148 HydrophobicContact CB-CB 4.45Å; N121-P148 PolarHBondContact ND2-O 2.9Å; P148-R150 PolarHBondContact O-N 3.45Å
149	N	85.4	Confident	90.7	Very high	65 Å²	65	67.6 Å²	67.6	35%	0.348	36%	0.361	S	S	.	.			trans	-81.5	62.4	-178.1	-73.1	-47.9	0	0	0	110.5	H143 M145 A147 M164 R165	H143-N149 HydrophobicContact CB-CB 4.26Å; H143-N149 WeakPolarHBondContact CB-ND2 3.46Å; H143-N149 WeakPolarHBondContact O-CB 3.4Å; H143-N149 PolarHBondContact O-N 2.85Å; M145-N149 PolarHBondContact O-ND2 2.63Å; M145-N149 VanDerWaalsContact O-ND2 3.07Å; A147-N149 PolarHBondContact O-N 3.08Å; A147-N149 VanDerWaalsContact O-N 3.09Å; N149-M164 WeakPolarHBondContact O-CA 3.4Å; N149-R165 HydrophobicContact CB-CB 4.1Å; N149-R165 PolarHBondContact O-N 3.4Å
150	R	89	Confident	90.9	Very high	116 Å²	116	60.8 Å²	60.8	44%	0.438	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.8	173.3	-67	173.6	-175.4	-179.4	-0.1	108.3	N121 P148 Y162 T163 M164	N121-R150 WeakPolarHBondContact OD1-CB 3.46Å; N121-R150 PolarHBondContact OD1-O 2.74Å; P148-R150 PolarHBondContact O-N 3.45Å; R150-Y162 HydrophobicContact CB-CE2 4.11Å; R150-Y162 WeakPolarHBondContact CD-OH 3.45Å; R150-Y162 HydrophobicContact CG-CE2 4.1Å; R150-Y162 PolarHBondContact NE-OH 3.08Å; R150-T163 CarbonylContact C-O 3.54Å; R150-T163 VanDerWaalsContact CA-O 3.3Å; R150-T163 WeakPolarHBondContact CA-O 3.35Å; R150-M164 HydrophobicContact CG-CB 4.28Å
151	L	88.1	Confident	91	Very high	62 Å²	62	59.8 Å²	59.8	33%	0.325	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.9	175	169.1	158.2	0	0	0	107	R153 Y162 T163	L151-R153 HydrophobicContact CD2-CG 3.95Å; L151-Y162 WeakPolarHBondContact O-CA 3.42Å; L151-T163 PolarHBondContact N-O 3.36Å; L151-T163 PolarHBondContact O-N 3.44Å
152	F	91.4	Very high	91	Very high	2 Å²	2	57 Å²	57	1%	0.009	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	125.5	-175.8	-163.2	-87.1	0	0	0	109.3	W103 L119 V124 V127 T129 I154 I160 L161 Y162	W103-F152 HydrophobicContact CH2-CE2 4.23Å; W103-F152 HydrophobicContact CZ2-CE2 4.42Å; L119-F152 HydrophobicContact CB-CD1 4.38Å; L119-F152 HydrophobicContact CD1-CD1 3.88Å; L119-F152 HydrophobicContact CD1-CE1 4.19Å; L119-F152 PolarHBondContact N-O 3.34Å; V124-F152 HydrophobicContact CB-CD2 4.42Å; V124-F152 HydrophobicContact CG1-CD2 3.9Å; V124-F152 HydrophobicContact CG1-CE2 4.27Å; V124-F152 HydrophobicContact CG2-CB 3.59Å; V124-F152 HydrophobicContact CG2-CD2 3.93Å; V124-F152 HydrophobicContact CG2-CG 3.83Å; V127-F152 HydrophobicContact CB-CZ 4.05Å; V127-F152 HydrophobicContact CG1-CE1 4.45Å; V127-F152 HydrophobicContact CG1-CZ 3.74Å; V127-F152 HydrophobicContact CG2-CZ 4.44Å; T129-F152 HydrophobicContact CG2-CE2 4.25Å; F152-I154 HydrophobicContact CD1-CG1 4.2Å; F152-I154 HydrophobicContact CE1-CD1 3.98Å; F152-I154 HydrophobicContact CE1-CG1 3.72Å; F152-I160 HydrophobicContact CD1-CG2 4.41Å; F152-I160 HydrophobicContact CD2-CG2 4.26Å; F152-I160 HydrophobicContact CE1-CG2 3.79Å; F152-I160 HydrophobicContact CE2-CG2 3.6Å; F152-I160 HydrophobicContact CZ-CD1 4.07Å; F152-I160 HydrophobicContact CZ-CG2 3.34Å; F152-L161 WeakPolarHBondContact CA-O 3.38Å; F152-Y162 AromaticContact CD2-CD2 3.73Å; F152-Y162 HydrophobicContact CD2-CD2 3.73Å; F152-Y162 HydrophobicContact CD2-CE2 4.44Å; F152-Y162 HydrophobicContact CD2-CG 4.03Å; F152-Y162 HydrophobicContact CE2-CG 4.43Å
153	R	92.8	Very high	91	Very high	82 Å²	82	55.4 Å²	55.4	31%	0.309	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	131	-177.9	-65.4	178.9	-177.7	176.3	2	109.8	I116 L117 R118 L151 M155 I160 L161	I116-R153 HydrophobicContact CG2-CB 4Å; I116-R153 HydrophobicContact CG2-CG 4.27Å; L117-R153 VanDerWaalsContact O-CA 3.23Å; L117-R153 WeakPolarHBondContact O-CA 3.46Å; R118-R153 HydrophobicContact CG-CG 4.46Å; L151-R153 HydrophobicContact CD2-CG 3.95Å; R153-M155 HydrophobicContact CB-CE 4.2Å; R153-I160 CarbonylContact O-C 3.19Å; R153-I160 WeakPolarHBondContact O-CA 3.47Å; R153-L161 HydrophobicContact CB-CB 4.43Å; R153-L161 PolarHBondContact N-O 3.31Å; R153-L161 PolarHBondContact O-N 2.96Å
154	I	93.3	Very high	91.1	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	122.3	173.6	-53.6	177.7	0	0	0	107.3	L55 L108 Y110 L117 L119 F152	L55-I154 HydrophobicContact CD2-CD1 3.43Å; L55-I154 VanDerWaalsContact CD2-CD1 3.43Å; L108-I154 HydrophobicContact CB-CD1 4.39Å; L108-I154 HydrophobicContact CB-CG2 4.2Å; L108-I154 HydrophobicContact CD1-CD1 3.92Å; Y110-I154 HydrophobicContact CD1-CG2 4.49Å; Y110-I154 HydrophobicContact CE1-CG2 4.24Å; L117-I154 HydrophobicContact CB-CB 4.45Å; L117-I154 PolarHBondContact N-O 2.98Å; L117-I154 PolarHBondContact O-N 3.03Å; L119-I154 HydrophobicContact CD1-CD1 3.52Å; L119-I154 HydrophobicContact CD1-CG1 3.85Å; F152-I154 HydrophobicContact CD1-CG1 4.2Å; F152-I154 HydrophobicContact CE1-CD1 3.98Å; F152-I154 HydrophobicContact CE1-CG1 3.72Å
155	M	94.8	Very high	91.3	Very high	41 Å²	41	53.2 Å²	53.2	20%	0.202	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	150.4	174	-44.1	-52.7	175.1	0	0	109.3	E115 I116 R153 N157 G158 T159 L161	E115-M155 CarbonylContact O-C 3.55Å; E115-M155 VanDerWaalsContact O-CA 3.32Å; E115-M155 WeakPolarHBondContact O-CA 3.37Å; I116-M155 HydrophobicContact CB-SD 4.07Å; I116-M155 HydrophobicContact CD1-SD 3.79Å; I116-M155 HydrophobicContact CG1-SD 3.58Å; I116-M155 VanDerWaalsContact CG1-SD 3.58Å; I116-M155 HydrophobicContact CG2-CE 4.48Å; I116-M155 HydrophobicContact CG2-SD 3.67Å; R153-M155 HydrophobicContact CB-CE 4.2Å; M155-N157 WeakPolarHBondContact CB-OD1 3.42Å; M155-N157 PolarHBondContact O-N 3.47Å; M155-G158 PolarHBondContact O-N 2.95Å; M155-T159 WeakPolarHBondContact CB-O 3.41Å; M155-T159 HydrophobicContact CG-CG2 4.33Å; M155-T159 WeakPolarHBondContact CG-O 3.47Å; M155-T159 PolarHBondContact N-O 3.25Å; M155-L161 HydrophobicContact CE-CB 3.91Å; M155-L161 HydrophobicContact CE-CD2 4.4Å
156	K	91.7	Very high	91.8	Very high	66 Å²	66	46.9 Å²	46.9	29%	0.287	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-32.2	-176.1	-169.9	177.1	175.4	171	0	115.2	Y110 E111 G112 E115 G158	Y110-K156 HydrophobicContact CE1-CB 4.47Å; Y110-K156 HydrophobicContact CE2-CB 4.41Å; Y110-K156 HydrophobicContact CE2-CG 4.27Å; Y110-K156 VanDerWaalsContact O-CG 3.29Å; Y110-K156 WeakPolarHBondContact O-CG 3.27Å; E111-K156 WeakPolarHBondContact OE1-CE 3.49Å; E111-K156 IonicContact OE1-NZ 2.71Å; E111-K156 WeakPolarHBondContact OE2-CE 3.44Å; E111-K156 IonicContact OE2-NZ 3.73Å; E111-K156 PolarHBondContact OE2-NZ 3Å; G112-K156 PolarHBondContact O-NZ 3.37Å; G112-K156 VanDerWaalsContact O-NZ 3.15Å; E115-K156 PolarHBondContact O-N 3.44Å; K156-G158 VanDerWaalsContact C-N 3.25Å; K156-G158 PolarHBondContact O-N 3.21Å
157	N	93.6	Very high	92.3	Very high	85 Å²	85	42 Å²	42	46%	0.455	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-1.5	178	72.5	-25.8	0	0	0	114.8	R109 M155 T159	R109-N157 WeakPolarHBondContact CG-O 3.48Å; M155-N157 WeakPolarHBondContact CB-OD1 3.42Å; M155-N157 PolarHBondContact O-N 3.47Å; N157-T159 PolarHBondContact ND2-OG1 3.05Å; N157-T159 VanDerWaalsContact OD1-CB 3.26Å; N157-T159 WeakPolarHBondContact OD1-CB 3.43Å; N157-T159 PolarHBondContact OD1-N 3.22Å; N157-T159 PolarHBondContact OD1-OG1 3.19Å
158	G	92.8	Very high	92.9	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	86.7	6.5	-174.3	0	0	0	0	0	114.2	D105 M155 K156	D105-G158 PolarHBondContact N-O 2.96Å; D105-G158 WeakPolarHBondContact O-CA 3.33Å; M155-G158 PolarHBondContact O-N 2.95Å; K156-G158 VanDerWaalsContact C-N 3.25Å; K156-G158 PolarHBondContact O-N 3.21Å
159	T	95.9	Very high	93.4	Very high	30 Å²	30	37.6 Å²	37.6	18%	0.184	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	129.8	167.8	-64.6	0	0	0	0	109.6	T102 W103 M155 N157	T102-T159 HydrophobicContact CG2-CG2 3.5Å; W103-T159 CarbonylContact O-C 3.56Å; W103-T159 WeakPolarHBondContact O-CA 3.45Å; M155-T159 WeakPolarHBondContact CB-O 3.41Å; M155-T159 HydrophobicContact CG-CG2 4.33Å; M155-T159 WeakPolarHBondContact CG-O 3.47Å; M155-T159 PolarHBondContact N-O 3.25Å; N157-T159 PolarHBondContact ND2-OG1 3.05Å; N157-T159 VanDerWaalsContact OD1-CB 3.26Å; N157-T159 WeakPolarHBondContact OD1-CB 3.43Å; N157-T159 PolarHBondContact OD1-N 3.22Å; N157-T159 PolarHBondContact OD1-OG1 3.19Å
160	I	95.2	Very high	94	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.9	175.7	-52.6	-174.3	0	0	0	108.1	T102 W103 D105 L108 V127 F152 R153	T102-I160 VanDerWaalsContact CA-O 3.24Å; T102-I160 WeakPolarHBondContact CA-O 3.47Å; W103-I160 HydrophobicContact CD2-CB 4.27Å; W103-I160 HydrophobicContact CH2-CG2 3.94Å; W103-I160 HydrophobicContact CZ2-CB 4.09Å; W103-I160 HydrophobicContact CZ2-CD1 3.85Å; W103-I160 HydrophobicContact CZ2-CG2 3.81Å; W103-I160 HydrophobicContact CZ3-CG2 4.45Å; W103-I160 PolarHBondContact N-O 2.77Å; W103-I160 VanDerWaalsContact N-O 3.16Å; W103-I160 PolarHBondContact O-N 2.84Å; D105-I160 HydrophobicContact CB-CD1 4.08Å; L108-I160 HydrophobicContact CD1-CD1 3.45Å; L108-I160 VanDerWaalsContact CD1-CD1 3.45Å; L108-I160 HydrophobicContact CD1-CG1 4.32Å; V127-I160 HydrophobicContact CG1-CD1 4.05Å; F152-I160 HydrophobicContact CD1-CG2 4.41Å; F152-I160 HydrophobicContact CD2-CG2 4.26Å; F152-I160 HydrophobicContact CE1-CG2 3.79Å; F152-I160 HydrophobicContact CE2-CG2 3.6Å; F152-I160 HydrophobicContact CZ-CD1 4.07Å; F152-I160 HydrophobicContact CZ-CG2 3.34Å; R153-I160 CarbonylContact O-C 3.19Å; R153-I160 WeakPolarHBondContact O-CA 3.47Å
161	L	95.2	Very high	94.3	Very high	36 Å²	36	33.3 Å²	33.3	19%	0.188	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	117.5	163.7	170	63.2	0	0	0	108.7	F152 R153 M155	F152-L161 WeakPolarHBondContact CA-O 3.38Å; R153-L161 HydrophobicContact CB-CB 4.43Å; R153-L161 PolarHBondContact N-O 3.31Å; R153-L161 PolarHBondContact O-N 2.96Å; M155-L161 HydrophobicContact CE-CB 3.91Å; M155-L161 HydrophobicContact CE-CD2 4.4Å
162	Y	94.8	Very high	94.7	Very high	12 Å²	12	30.4 Å²	30.4	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	127	174.5	-179.8	-146	0	0	0	109.5	R100 Q101 W103 V124 T129 R150 L151 F152 M164	R100-Y162 CarbonylContact C-O 3.55Å; R100-Y162 WeakPolarHBondContact CA-O 3.39Å; Q101-Y162 PolarHBondContact N-O 3.43Å; Q101-Y162 PolarHBondContact O-N 3.26Å; W103-Y162 HydrophobicContact CH2-CD1 4.06Å; W103-Y162 HydrophobicContact CH2-CG 4.25Å; W103-Y162 HydrophobicContact CZ3-CD1 4.23Å; W103-Y162 HydrophobicContact CZ3-CG 4.43Å; V124-Y162 HydrophobicContact CG1-CD2 4.43Å; V124-Y162 HydrophobicContact CG1-CE2 3.81Å; T129-Y162 HydrophobicContact CG2-CD1 4.36Å; T129-Y162 HydrophobicContact CG2-CE1 4.21Å; R150-Y162 HydrophobicContact CB-CE2 4.11Å; R150-Y162 WeakPolarHBondContact CD-OH 3.45Å; R150-Y162 HydrophobicContact CG-CE2 4.1Å; R150-Y162 PolarHBondContact NE-OH 3.08Å; L151-Y162 WeakPolarHBondContact O-CA 3.42Å; F152-Y162 AromaticContact CD2-CD2 3.73Å; F152-Y162 HydrophobicContact CD2-CD2 3.73Å; F152-Y162 HydrophobicContact CD2-CE2 4.44Å; F152-Y162 HydrophobicContact CD2-CG 4.03Å; F152-Y162 HydrophobicContact CE2-CG 4.43Å; Y162-M164 HydrophobicContact CD1-CE 4.08Å; Y162-M164 HydrophobicContact CE1-CE 3.38Å
163	T	94.6	Very high	94.8	Very high	17 Å²	17	34.5 Å²	34.5	10%	0.104	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	139.9	176.8	-53.7	0	0	0	0	109.3	F98 F99 R100 R150 L151	F98-T163 HydrophobicContact CB-CG2 4.21Å; F98-T163 HydrophobicContact CD1-CG2 4.43Å; F99-T163 CarbonylContact O-C 3.59Å; F99-T163 WeakPolarHBondContact O-CA 3.38Å; R100-T163 HydrophobicContact CG-CG2 3.7Å; R150-T163 CarbonylContact C-O 3.54Å; R150-T163 VanDerWaalsContact CA-O 3.3Å; R150-T163 WeakPolarHBondContact CA-O 3.35Å; L151-T163 PolarHBondContact N-O 3.36Å; L151-T163 PolarHBondContact O-N 3.44Å
164	M	93.4	Very high	94.8	Very high	28 Å²	28	31.1 Å²	31.1	14%	0.138	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.3	172.4	62.1	-179	93.2	0	0	111	F98 F99 N149 R150 Y162 L166	F98-M164 CarbonylContact C-O 3.08Å; F98-M164 WeakPolarHBondContact CA-O 3.35Å; F99-M164 HydrophobicContact CB-CG 4.1Å; F99-M164 HydrophobicContact CD1-CE 4.37Å; F99-M164 HydrophobicContact CD1-CG 4.49Å; F99-M164 PolarHBondContact N-O 3.17Å; F99-M164 PolarHBondContact O-N 3.31Å; N149-M164 WeakPolarHBondContact O-CA 3.4Å; R150-M164 HydrophobicContact CG-CB 4.28Å; Y162-M164 HydrophobicContact CD1-CE 4.08Å; Y162-M164 HydrophobicContact CE1-CE 3.38Å; M164-L166 HydrophobicContact CG-CD1 4.2Å; M164-L166 HydrophobicContact CG-CD2 4.14Å; M164-L166 HydrophobicContact CG-CG 3.94Å; M164-L166 HydrophobicContact SD-CD1 3.92Å; M164-L166 HydrophobicContact SD-CD2 3.78Å; M164-L166 HydrophobicContact SD-CG 4.01Å
165	R	94.6	Very high	94.7	Very high	83 Å²	83	39 Å²	39	31%	0.313	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.6	166.6	-165.4	-170	157.8	167.3	-2.1	109.5	D96 V97 F98 H143 N149	D96-R165 IonicContact OD2-CZ 3.57Å; D96-R165 IonicContact OD2-NE 2.74Å; D96-R165 IonicContact OD2-NH2 2.7Å; D96-R165 PolarHBondContact OD2-NH2 3.22Å; V97-R165 WeakPolarHBondContact O-CA 3.38Å; F98-R165 HydrophobicContact CD1-CB 3.82Å; F98-R165 HydrophobicContact CD1-CG 4.08Å; F98-R165 HydrophobicContact CE1-CB 3.74Å; F98-R165 HydrophobicContact CE1-CG 3.89Å; H143-R165 VanDerWaalsContact CD2-CD 3.42Å; H143-R165 WeakPolarHBondContact CD2-CD 3.19Å; H143-R165 WeakPolarHBondContact CD2-CG 3.06Å; H143-R165 PolarHBondContact CD2-NE 2.95Å; H143-R165 PolarHBondContact CD2-O 3.01Å; H143-R165 PolarHBondContact N-O 3.29Å; H143-R165 PolarHBondContact NE2-NE 3.44Å; N149-R165 HydrophobicContact CB-CB 4.1Å; N149-R165 PolarHBondContact O-N 3.4Å
166	L	95.6	Very high	94.6	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.063	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	137.3	178.4	-59.1	177.6	0	0	0	111	D96 V97 F99 F134 V141 A142 M164 I168	D96-L166 CarbonylContact C-O 3.5Å; D96-L166 WeakPolarHBondContact CA-O 3.25Å; V97-L166 HydrophobicContact CG2-CB 4.12Å; V97-L166 PolarHBondContact N-O 2.85Å; V97-L166 PolarHBondContact O-N 2.87Å; F99-L166 HydrophobicContact CB-CD1 4.16Å; F134-L166 HydrophobicContact CE2-CD1 3.57Å; F134-L166 HydrophobicContact CZ-CD1 3.88Å; V141-L166 WeakPolarHBondContact O-CA 3.29Å; A142-L166 HydrophobicContact CB-CD2 3.72Å; M164-L166 HydrophobicContact CG-CD1 4.2Å; M164-L166 HydrophobicContact CG-CD2 4.14Å; M164-L166 HydrophobicContact CG-CG 3.94Å; M164-L166 HydrophobicContact SD-CD1 3.92Å; M164-L166 HydrophobicContact SD-CD2 3.78Å; M164-L166 HydrophobicContact SD-CG 4.01Å; L166-I168 HydrophobicContact CB-CD1 4.33Å; L166-I168 HydrophobicContact CB-CG1 3.95Å; L166-I168 HydrophobicContact CD1-CD1 4.28Å; L166-I168 HydrophobicContact CD1-CG1 4.45Å
167	T	96.1	Very high	94.6	Very high	37 Å²	37	37.5 Å²	37.5	23%	0.227	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	128.5	152.1	-54.2	0	0	0	0	108.1	M95 D96 S140 V141 H143	M95-T167 CarbonylContact O-C 3.58Å; M95-T167 WeakPolarHBondContact O-CA 3.34Å; D96-T167 WeakPolarHBondContact OD1-CA 3.38Å; D96-T167 VanDerWaalsContact OD1-CB 3.23Å; D96-T167 WeakPolarHBondContact OD1-CB 3.18Å; D96-T167 WeakPolarHBondContact OD1-CG2 3.29Å; D96-T167 PolarHBondContact OD1-OG1 3.47Å; S140-T167 CarbonylContact C-O 3.46Å; S140-T167 WeakPolarHBondContact CA-O 3.42Å; V141-T167 PolarHBondContact N-O 2.86Å; V141-T167 PolarHBondContact O-N 3.05Å; H143-T167 PolarHBondContact CE1-OG1 2.99Å; H143-T167 PolarHBondContact NE2-N 3.4Å; H143-T167 PolarHBondContact NE2-OG1 3.39Å
168	I	96.6	Very high	94.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	121.6	-179.2	-56.1	169.8	0	0	0	108.9	T94 M95 V97 F134 L166 A170 L188	T94-I168 CarbonylContact C-O 3.58Å; T94-I168 VanDerWaalsContact CA-O 3.31Å; T94-I168 WeakPolarHBondContact CA-O 3.21Å; M95-I168 HydrophobicContact CE-CB 4.3Å; M95-I168 HydrophobicContact CE-CG2 4.22Å; M95-I168 HydrophobicContact CG-CB 4.27Å; M95-I168 PolarHBondContact N-O 3.02Å; M95-I168 PolarHBondContact O-N 3.25Å; V97-I168 HydrophobicContact CG2-CD1 3.68Å; V97-I168 HydrophobicContact CG2-CG1 4.46Å; F134-I168 HydrophobicContact CD1-CD1 4.14Å; F134-I168 HydrophobicContact CD2-CD1 4.26Å; F134-I168 HydrophobicContact CE1-CD1 3.66Å; F134-I168 HydrophobicContact CE2-CD1 3.82Å; F134-I168 HydrophobicContact CE2-CG1 4.36Å; F134-I168 HydrophobicContact CG-CD1 4.42Å; F134-I168 HydrophobicContact CG-CG2 4.42Å; F134-I168 HydrophobicContact CZ-CD1 3.5Å; L166-I168 HydrophobicContact CB-CD1 4.33Å; L166-I168 HydrophobicContact CB-CG1 3.95Å; L166-I168 HydrophobicContact CD1-CD1 4.28Å; L166-I168 HydrophobicContact CD1-CG1 4.45Å; I168-A170 HydrophobicContact CG2-CB 4.23Å; I168-L188 HydrophobicContact CG2-CD1 4.15Å
169	S	96.5	Very high	94.4	Very high	15 Å²	15	35.1 Å²	35.1	11%	0.105	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	109.5	161.9	-65.2	0	0	0	0	108.6	E92 Y93 G137 K138 K139	E92-S169 WeakPolarHBondContact OE1-CB 3.17Å; Y93-S169 WeakPolarHBondContact O-CA 3.44Å; G137-S169 WeakPolarHBondContact CA-O 3.45Å; K138-S169 PolarHBondContact N-O 3.5Å; K139-S169 PolarHBondContact N-O 3.26Å; K139-S169 WeakPolarHBondContact O-CB 3.34Å; K139-S169 PolarHBondContact O-N 2.93Å
170	A	97.1	Very high	94.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	139.4	-178.6	0	0	0	0	0	111.4	E92 Y93 M95 N136 I168 L188	E92-A170 CarbonylContact C-O 3.44Å; E92-A170 VanDerWaalsContact CA-O 3.23Å; E92-A170 WeakPolarHBondContact CA-O 2.98Å; E92-A170 VanDerWaalsContact CB-O 3.29Å; E92-A170 WeakPolarHBondContact CB-O 3.34Å; Y93-A170 HydrophobicContact CD1-CB 4.18Å; Y93-A170 WeakPolarHBondContact CD1-O 3.23Å; Y93-A170 HydrophobicContact CE1-CB 3.58Å; Y93-A170 PolarHBondContact N-O 3.4Å; Y93-A170 PolarHBondContact O-N 2.92Å; M95-A170 HydrophobicContact CE-CB 4.18Å; N136-A170 CarbonylContact O-C 3.42Å; N136-A170 WeakPolarHBondContact O-CA 3.42Å; I168-A170 HydrophobicContact CG2-CB 4.23Å; A170-L188 HydrophobicContact CB-CD1 4.29Å
171	E	96.9	Very high	94	Very high	91 Å²	91	34.4 Å²	34.4	43%	0.425	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	130.9	175.2	-172.4	-175	150.2	0	0	110.9	M91 N136 K138	M91-E171 WeakPolarHBondContact O-CA 3.18Å; N136-E171 HydrophobicContact CB-CB 4.37Å; N136-E171 PolarHBondContact ND2-O 3.16Å; N136-E171 PolarHBondContact O-N 3.31Å; K138-E171 HydrophobicContact CD-CB 4.42Å; K138-E171 HydrophobicContact CG-CB 4.39Å
172	C	96.2	Very high	93.8	Very high	2 Å²	2	33 Å²	33	1%	0.014	17%	0.168	C	C	.	.			trans	-124.4	105.2	174.3	176.8	0	0	0	0	109.6	M91 Y93 M174 C186	M91-C172 PolarHBondContact O-N 3.42Å; Y93-C172 HydrophobicContact CD1-CB 3.73Å; Y93-C172 HydrophobicContact CE1-CB 4.09Å; C172-M174 HydrophobicContact CB-CE 4.09Å; C172-M174 PolarHBondContact O-N 2.93Å; C172-C186 HydrophobicContact CB-CB 3.67Å; C172-C186 WeakPolarHBondContact CB-SG 3.3Å; C172-C186 WeakPolarHBondContact SG-CA 3.49Å; C172-C186 WeakPolarHBondContact SG-CB 3.21Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 2.95Å
173	P	93.6	Very high	93.6	Very high	88 Å²	88	34.4 Å²	34.4	57%	0.571	19%	0.186	S	C	*	.			trans	-75	87.8	-178.5	29.6	-34.5	0	0	0	111.3
174	M	91.5	Very high	93.6	Very high	10 Å²	10	34.3 Å²	34.3	5%	0.049	18%	0.184	C	C	.	.			trans	-76.3	150.9	-177.6	-62.3	171.7	-157.9	0	0	112.8	V86 C172 L176 H184	V86-M174 HydrophobicContact CG1-CE 3.45Å; V86-M174 VanDerWaalsContact CG1-CE 3.45Å; C172-M174 HydrophobicContact CB-CE 4.09Å; C172-M174 PolarHBondContact O-N 2.93Å; M174-L176 HydrophobicContact CB-CD2 4.08Å; M174-L176 HydrophobicContact CB-CG 4.45Å; M174-H184 HydrophobicContact CG-CB 4.46Å
175	K	91.4	Very high	93.6	Very high	167 Å²	167	35.1 Å²	35.1	73%	0.726	20%	0.196	S	C	*	.			trans	-119.3	97	173.4	-70.1	179.6	-179.3	175.6	0	109.6	V177 H184	K175-V177 PolarHBondContact O-N 2.86Å; K175-V177 VanDerWaalsContact O-N 3.13Å; K175-H184 PolarHBondContact O-CE1 3.1Å
176	L	92.4	Very high	93.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.181	C	C	.	.			trans	-85.5	26	-170.8	-54.8	177.2	0	0	0	113.2	M174 F179 D182 H184 L310 P311 Y315 T317	M174-L176 HydrophobicContact CB-CD2 4.08Å; M174-L176 HydrophobicContact CB-CG 4.45Å; L176-F179 HydrophobicContact CB-CB 4.12Å; L176-F179 HydrophobicContact CD2-CD2 4.28Å; L176-F179 WeakPolarHBondContact O-CB 3.37Å; L176-F179 PolarHBondContact O-N 3.2Å; L176-D182 WeakPolarHBondContact CD2-OD2 3.37Å; L176-H184 WeakPolarHBondContact CD2-NE2 3.31Å; L176-L310 HydrophobicContact CD1-CD2 4.02Å; L176-P311 HydrophobicContact CD1-CG 3.37Å; L176-Y315 PolarHBondContact N-OH 2.68Å; L176-Y315 VanDerWaalsContact N-OH 3.08Å; L176-T317 WeakPolarHBondContact O-CG2 3.33Å
177	V	91.6	Very high	93.7	Very high	75 Å²	75	31.3 Å²	31.3	46%	0.455	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-46.8	-173.8	179.6	0	0	0	0	110.8	K175 F179 Y315 T317 A318	K175-V177 PolarHBondContact O-N 2.86Å; K175-V177 VanDerWaalsContact O-N 3.13Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 3.47Å; V177-Y315 HydrophobicContact CB-CE2 4.45Å; V177-Y315 HydrophobicContact CG2-CD2 4.07Å; V177-Y315 HydrophobicContact CG2-CE2 3.75Å; V177-T317 CarbonylContact O-C 3.55Å; V177-T317 WeakPolarHBondContact O-CA 3.47Å; V177-A318 PolarHBondContact O-N 3.14Å
178	D	91.8	Very high	93.8	Very high	34 Å²	34	29.6 Å²	29.6	18%	0.182	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	9.2	179.3	-73.6	-58.9	0	0	0	113.4	M181 Y541 K544	D178-M181 CarbonylContact O-C 3.43Å; D178-M181 WeakPolarHBondContact O-CA 3.28Å; D178-M181 PolarHBondContact O-N 3.24Å; D178-Y541 WeakPolarHBondContact OD1-CD1 3.25Å; D178-Y541 WeakPolarHBondContact OD1-CE1 3.34Å; D178-K544 IonicContact OD1-NZ 2.73Å; D178-K544 PolarHBondContact OD1-NZ 3.16Å; D178-K544 IonicContact OD2-NZ 3.79Å; D178-K544 PolarHBondContact OD2-NZ 2.85Å
179	F	91.8	Very high	93.8	Very high	1 Å²	1	32.2 Å²	32.2	0%	0.004	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	134.8	-176.1	178.2	-83	0	0	0	112.9	L176 V177 F259 L310 T317 M319	L176-F179 HydrophobicContact CB-CB 4.12Å; L176-F179 HydrophobicContact CD2-CD2 4.28Å; L176-F179 WeakPolarHBondContact O-CB 3.37Å; L176-F179 PolarHBondContact O-N 3.2Å; V177-F179 VanDerWaalsContact C-N 3.29Å; V177-F179 PolarHBondContact O-N 3.47Å; F179-F259 HydrophobicContact CE1-CD1 4.35Å; F179-F259 AromaticContact CE1-CE1 3.96Å; F179-F259 HydrophobicContact CE1-CE1 3.96Å; F179-F259 HydrophobicContact CE1-CZ 4.38Å; F179-F259 HydrophobicContact CE2-CZ 4.21Å; F179-F259 HydrophobicContact CZ-CD1 4.31Å; F179-F259 AromaticContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE2 4.43Å; F179-F259 AromaticContact CZ-CZ 3.58Å; F179-F259 HydrophobicContact CZ-CZ 3.58Å; F179-L310 HydrophobicContact CD1-CD1 4.06Å; F179-L310 HydrophobicContact CD1-CD2 3.96Å; F179-L310 HydrophobicContact CD1-CG 4.47Å; F179-L310 HydrophobicContact CD2-CD2 3.82Å; F179-L310 HydrophobicContact CE1-CD1 3.84Å; F179-L310 HydrophobicContact CE1-CD2 3.78Å; F179-L310 HydrophobicContact CE1-CG 4.01Å; F179-L310 HydrophobicContact CE2-CD2 3.6Å; F179-L310 HydrophobicContact CG-CD2 3.99Å; F179-L310 HydrophobicContact CZ-CD1 4.37Å; F179-L310 HydrophobicContact CZ-CD2 3.59Å; F179-L310 HydrophobicContact CZ-CG 4.02Å; F179-T317 HydrophobicContact CB-CG2 4.37Å; F179-M319 HydrophobicContact CD1-CB 4.12Å; F179-M319 HydrophobicContact CD1-SD 4.09Å; F179-M319 HydrophobicContact CE1-CE 4.39Å; F179-M319 HydrophobicContact CE1-SD 3.68Å; F179-M319 PolarHBondContact O-N 3.31Å
180	P	92	Very high	93.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	cis	-88.1	4.6	4.6	36.2	-36.4	0	0	0	114.4	D182 R254 M256 F259 Y264	P180-D182 PolarHBondContact O-N 2.64Å; P180-D182 VanDerWaalsContact O-N 3.1Å; P180-R254 WeakPolarHBondContact O-CD 3.4Å; P180-M256 HydrophobicContact CB-SD 4.4Å; P180-M256 HydrophobicContact CG-SD 4.46Å; P180-M256 WeakPolarHBondContact O-CE 3.24Å; P180-F259 HydrophobicContact CB-CB 4.35Å; P180-F259 HydrophobicContact CB-CD1 4.4Å; P180-F259 HydrophobicContact CB-CD2 3.59Å; P180-F259 HydrophobicContact CB-CE2 3.97Å; P180-F259 HydrophobicContact CB-CG 3.84Å; P180-F259 HydrophobicContact CG-CB 3.96Å; P180-F259 HydrophobicContact CG-CD2 4.14Å; P180-F259 HydrophobicContact CG-CG 3.99Å; P180-Y264 VanDerWaalsContact CD-OH 3.3Å; P180-Y264 WeakPolarHBondContact CD-OH 3.46Å; P180-Y264 HydrophobicContact CG-CE2 4.02Å
181	M	90.4	Very high	93.8	Very high	13 Å²	13	31.5 Å²	31.5	6%	0.064	18%	0.178	C	C	.	.	S	Bend	trans	-88.1	50.7	-176.5	-67.8	166.5	-73	0	0	111.4	D178 M256 Y537 W538 Y541 L542	D178-M181 CarbonylContact O-C 3.43Å; D178-M181 WeakPolarHBondContact O-CA 3.28Å; D178-M181 PolarHBondContact O-N 3.24Å; M181-M256 HydrophobicContact CB-CE 4.33Å; M181-M256 HydrophobicContact CB-SD 4.46Å; M181-M256 HydrophobicContact CG-CE 4.12Å; M181-M256 HydrophobicContact CG-SD 3.74Å; M181-Y537 HydrophobicContact CE-CE1 3.89Å; M181-W538 HydrophobicContact CE-CZ3 4.31Å; M181-W538 HydrophobicContact SD-CE3 4.3Å; M181-W538 HydrophobicContact SD-CZ3 3.89Å; M181-Y541 VanDerWaalsContact CE-CB 3.45Å; M181-Y541 HydrophobicContact CE-CD1 4.38Å; M181-Y541 HydrophobicContact CE-CD2 4.17Å; M181-Y541 HydrophobicContact CE-CG 3.76Å; M181-Y541 VanDerWaalsContact SD-CB 3.5Å; M181-Y541 HydrophobicContact SD-CG 4.46Å; M181-L542 HydrophobicContact SD-CD2 4.22Å
182	D	90.9	Very high	93.8	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.043	16%	0.159	C	C	.	.			trans	-116.6	156.4	-173.2	59.3	-10.5	0	0	0	113.6	L176 P180 H184 R254	L176-D182 WeakPolarHBondContact CD2-OD2 3.37Å; P180-D182 PolarHBondContact O-N 2.64Å; P180-D182 VanDerWaalsContact O-N 3.1Å; D182-H184 WeakPolarHBondContact CB-CE1 3.48Å; D182-H184 IonicContact OD1-NE2 3.2Å; D182-H184 IonicContact OD2-CE1 2.78Å; D182-H184 PolarHBondContact OD2-CE1 2.93Å; D182-H184 IonicContact OD2-NE2 2.63Å; D182-H184 PolarHBondContact OD2-NE2 3Å; D182-R254 PolarHBondContact O-N 3Å; D182-R254 IonicContact OD1-CZ 2.85Å; D182-R254 IonicContact OD1-NE 2.76Å; D182-R254 PolarHBondContact OD1-NE 3.34Å; D182-R254 IonicContact OD1-NH2 2.73Å; D182-R254 PolarHBondContact OD1-NH2 2.74Å; D182-R254 IonicContact OD2-CZ 3.89Å; D182-R254 IonicContact OD2-NE 3.09Å; D182-R254 IonicContact OD2-NH2 3.92Å; D182-R254 PolarHBondContact OD2-NH2 2.68Å
183	G	91.1	Very high	93.7	Very high	40 Å²	40	35.3 Å²	35.3	41%	0.412	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	139.4	171.7	0	0	0	0	0	110.3	L252	G183-L252 CarbonylContact C-O 3.59Å; G183-L252 VanDerWaalsContact CA-O 3.31Å; G183-L252 WeakPolarHBondContact CA-O 3.35Å
184	H	93.1	Very high	93.7	Very high	16 Å²	16	33.9 Å²	33.9	7%	0.074	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.4	-171.9	-59.3	-39.3	0	0	0	110.9	M174 K175 L176 D182 Y224 L252 R254	M174-H184 HydrophobicContact CG-CB 4.46Å; K175-H184 PolarHBondContact O-CE1 3.1Å; L176-H184 WeakPolarHBondContact CD2-NE2 3.31Å; D182-H184 WeakPolarHBondContact CB-CE1 3.48Å; D182-H184 IonicContact OD1-NE2 3.2Å; D182-H184 IonicContact OD2-CE1 2.78Å; D182-H184 PolarHBondContact OD2-CE1 2.93Å; D182-H184 IonicContact OD2-NE2 2.63Å; D182-H184 PolarHBondContact OD2-NE2 3Å; H184-Y224 AromaticContact CD2-CE1 3.93Å; H184-L252 PolarHBondContact N-O 3.26Å; H184-L252 PolarHBondContact O-N 3.38Å; H184-R254 PolarHBondContact NE2-NH2 2.63Å
185	A	94.6	Very high	93.9	Very high	45 Å²	45	35.5 Å²	35.5	37%	0.372	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	90	173.6	0	0	0	0	0	109.3	P187 F250 H251	A185-P187 WeakPolarHBondContact O-CD 3.07Å; A185-F250 CarbonylContact C-O 3.59Å; A185-F250 WeakPolarHBondContact CA-O 3.23Å; A185-H251 VanDerWaalsContact CB-CE1 3.45Å; A185-H251 WeakPolarHBondContact CB-CE1 3.33Å
186	C	96.1	Very high	94.1	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	117.6	-175.5	-70.1	0	0	0	0	111.4	Y93 C172 H249 F250	Y93-C186 HydrophobicContact CD1-CB 3.95Å; Y93-C186 HydrophobicContact CE1-CB 3.68Å; C172-C186 HydrophobicContact CB-CB 3.67Å; C172-C186 WeakPolarHBondContact CB-SG 3.3Å; C172-C186 WeakPolarHBondContact SG-CA 3.49Å; C172-C186 WeakPolarHBondContact SG-CB 3.21Å; C172-C186 CovalentContact SG-SG 2.04Å; C172-C186 PolarHBondContact SG-SG 2.95Å; C186-H249 WeakPolarHBondContact O-CA 3.35Å; C186-F250 PolarHBondContact N-O 3.49Å; C186-F250 PolarHBondContact O-N 3.45Å
187	P	96.7	Very high	94.3	Very high	15 Å²	15	32.1 Å²	32.1	10%	0.097	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.1	-178	33.3	-33.8	0	0	0	112	Y93 N136 A185 K189 T247 V248	Y93-P187 PolarHBondContact OH-O 2.66Å; N136-P187 PolarHBondContact ND2-O 3.47Å; A185-P187 WeakPolarHBondContact O-CD 3.07Å; P187-K189 HydrophobicContact CB-CG 4.14Å; P187-T247 HydrophobicContact CB-CG2 4.48Å; P187-V248 CarbonylContact C-O 3.53Å; P187-V248 WeakPolarHBondContact CA-O 3.42Å
188	L	96.8	Very high	94.4	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	112.3	158	178.7	60.7	0	0	0	107.7	I78 Y93 M95 F134 I168 A170 T247 V248 F250	I78-L188 HydrophobicContact CD1-CD2 4.48Å; Y93-L188 PolarHBondContact OH-N 3.1Å; M95-L188 HydrophobicContact CE-CB 4.13Å; M95-L188 HydrophobicContact CE-CD1 3.61Å; M95-L188 HydrophobicContact CE-CD2 3.73Å; M95-L188 HydrophobicContact CE-CG 4.02Å; M95-L188 HydrophobicContact SD-CD2 4.12Å; F134-L188 HydrophobicContact CD1-CD1 3.49Å; F134-L188 VanDerWaalsContact CD1-CD1 3.49Å; F134-L188 HydrophobicContact CD1-CG 4.18Å; F134-L188 HydrophobicContact CE1-CD1 4.02Å; F134-L188 HydrophobicContact CE1-CD2 4.33Å; F134-L188 HydrophobicContact CE1-CG 4.36Å; F134-L188 HydrophobicContact CG-CD1 4.38Å; I168-L188 HydrophobicContact CG2-CD1 4.15Å; A170-L188 HydrophobicContact CB-CD1 4.29Å; L188-T247 WeakPolarHBondContact O-CA 3.31Å; L188-V248 HydrophobicContact CB-CB 4.45Å; L188-V248 PolarHBondContact N-O 2.99Å; L188-V248 PolarHBondContact O-N 3.43Å; L188-F250 HydrophobicContact CB-CE2 4.05Å; L188-F250 HydrophobicContact CD2-CE2 4.5Å
189	K	96.8	Very high	94.5	Very high	55 Å²	55	34.8 Å²	34.8	24%	0.239	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	127	-178.7	-55.6	-153.5	171.7	-159.4	0	110.7	F134 R135 N136 P187 E234 V245 M246 T247	F134-K189 CarbonylContact C-O 3.56Å; F134-K189 WeakPolarHBondContact CA-O 3.38Å; R135-K189 HydrophobicContact CB-CB 4.21Å; R135-K189 PolarHBondContact N-O 2.94Å; N136-K189 PolarHBondContact OD1-N 3.02Å; P187-K189 HydrophobicContact CB-CG 4.14Å; K189-E234 IonicContact NZ-OE1 3.72Å; K189-E234 PolarHBondContact NZ-OE1 2.84Å; K189-E234 IonicContact NZ-OE2 2.78Å; K189-E234 PolarHBondContact NZ-OE2 3.31Å; K189-V245 HydrophobicContact CB-CG1 4.04Å; K189-M246 WeakPolarHBondContact CA-O 3.45Å; K189-T247 HydrophobicContact CD-CG2 4.29Å; K189-T247 WeakPolarHBondContact CD-OG1 3.41Å; K189-T247 WeakPolarHBondContact CE-OG1 3.49Å; K189-T247 HydrophobicContact CG-CG2 4.1Å; K189-T247 WeakPolarHBondContact CG-OG1 3.34Å
190	F	97.2	Very high	94.7	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	159.9	176.9	65.9	-87.2	0	0	0	113.1	T76 I78 F99 T132 F133 F134 Y202 W204 V245 M246	T76-F190 HydrophobicContact CG2-CE2 4Å; I78-F190 HydrophobicContact CD1-CE1 3.66Å; I78-F190 HydrophobicContact CD1-CZ 4.05Å; F99-F190 HydrophobicContact CE2-CD1 4.46Å; F99-F190 HydrophobicContact CE2-CD2 4.02Å; F99-F190 HydrophobicContact CE2-CE1 4.26Å; F99-F190 AromaticContact CE2-CE2 3.8Å; F99-F190 HydrophobicContact CE2-CE2 3.8Å; F99-F190 HydrophobicContact CE2-CG 4.35Å; F99-F190 AromaticContact CE2-CZ 3.91Å; F99-F190 HydrophobicContact CE2-CZ 3.91Å; F99-F190 AromaticContact CZ-CD2 3.74Å; F99-F190 HydrophobicContact CZ-CD2 3.74Å; F99-F190 AromaticContact CZ-CE2 3.72Å; F99-F190 HydrophobicContact CZ-CE2 3.72Å; F99-F190 HydrophobicContact CZ-CG 4.36Å; F99-F190 HydrophobicContact CZ-CZ 4.31Å; T132-F190 HydrophobicContact CG2-CD2 3.96Å; F133-F190 VanDerWaalsContact O-CA 3.23Å; F133-F190 WeakPolarHBondContact O-CA 3.46Å; F133-F190 WeakPolarHBondContact O-CB 3.41Å; F134-F190 HydrophobicContact CD1-CB 3.69Å; F134-F190 HydrophobicContact CE1-CB 3.81Å; F134-F190 HydrophobicContact CE1-CD1 4.28Å; F134-F190 HydrophobicContact CE1-CG 4.22Å; F134-F190 HydrophobicContact CG-CB 4.49Å; F190-Y202 HydrophobicContact CE2-CD1 4.49Å; F190-W204 AromaticContact CE1-CH2 3.78Å; F190-W204 HydrophobicContact CE1-CH2 3.78Å; F190-W204 HydrophobicContact CE1-CZ2 4.34Å; F190-W204 AromaticContact CZ-CH2 3.64Å; F190-W204 HydrophobicContact CZ-CH2 3.64Å; F190-W204 HydrophobicContact CZ-CZ2 4.22Å; F190-W204 HydrophobicContact CZ-CZ3 4.11Å; F190-V245 WeakPolarHBondContact O-CA 3.3Å; F190-M246 HydrophobicContact CD1-CB 4Å; F190-M246 HydrophobicContact CD2-CB 3.92Å; F190-M246 HydrophobicContact CD2-CG 4.25Å; F190-M246 HydrophobicContact CE1-CB 3.53Å; F190-M246 HydrophobicContact CE2-CB 3.45Å; F190-M246 VanDerWaalsContact CE2-CB 3.45Å; F190-M246 HydrophobicContact CE2-CG 3.64Å; F190-M246 HydrophobicContact CG-CB 4.18Å; F190-M246 HydrophobicContact CZ-CB 3.25Å; F190-M246 HydrophobicContact CZ-CG 3.84Å; F190-M246 PolarHBondContact N-O 2.7Å; F190-M246 PolarHBondContact O-N 2.67Å
191	G	96.5	Very high	94.9	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.9	-168	176.4	0	0	0	0	0	111.9	T132 F133	T132-G191 WeakPolarHBondContact CA-O 3.43Å; F133-G191 WeakPolarHBondContact CD1-O 3.42Å; F133-G191 PolarHBondContact N-O 3.13Å; F133-G191 PolarHBondContact O-N 2.8Å; F133-G191 VanDerWaalsContact O-N 3.13Å
192	S	96.6	Very high	95.2	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.021	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	148.5	173.9	-175.7	0	0	0	0	111.1	D131 F133 R135 Y195	D131-S192 WeakPolarHBondContact OD1-CB 3.42Å; D131-S192 PolarHBondContact OD1-OG 2.63Å; D131-S192 PolarHBondContact OD2-OG 3.27Å; D131-S192 VanDerWaalsContact OD2-OG 3.06Å; F133-S192 WeakPolarHBondContact CE1-O 3.36Å; R135-S192 PolarHBondContact NH2-O 2.99Å; S192-Y195 WeakPolarHBondContact CB-O 3.42Å; S192-Y195 WeakPolarHBondContact OG-CB 3.38Å; S192-Y195 PolarHBondContact OG-N 3.23Å; S192-Y195 PolarHBondContact OG-O 3.25Å
193	Y	94.4	Very high	95.4	Very high	170 Å²	170	38.3 Å²	38.3	67%	0.667	21%	0.212	S	C	*	.	S	Bend	trans	-88	-52.1	173	-177.5	-96.6	0	0	0	111.4	D131 F133 Y243	D131-Y193 PolarHBondContact O-N 2.81Å; D131-Y193 WeakPolarHBondContact OD2-CB 3.44Å; D131-Y193 PolarHBondContact OD2-N 2.79Å; F133-Y193 HydrophobicContact CD1-CD2 4.17Å; F133-Y193 HydrophobicContact CD1-CG 4.46Å; F133-Y193 AromaticContact CE1-CD2 3.92Å; F133-Y193 HydrophobicContact CE1-CD2 3.92Å; F133-Y193 HydrophobicContact CE1-CG 4.4Å; F133-Y193 HydrophobicContact CE2-CD2 4.33Å; F133-Y193 HydrophobicContact CG-CD2 4.49Å; F133-Y193 AromaticContact CZ-CD2 3.97Å; F133-Y193 HydrophobicContact CZ-CD2 3.97Å; Y193-Y243 WeakPolarHBondContact O-CE1 3.26Å
194	A	94.8	Very high	95.6	Very high	57 Å²	57	37.7 Å²	37.7	47%	0.471	20%	0.197	S	C	.	.	S	Bend	trans	-91.1	-52.4	-177.1	0	0	0	0	0	112.7	D131 P196 Y243	D131-A194 WeakPolarHBondContact OD2-CB 3.5Å; D131-A194 PolarHBondContact OD2-N 2.77Å; A194-P196 WeakPolarHBondContact O-CD 3.29Å; A194-Y243 PolarHBondContact O-OH 3.13Å
195	Y	95.4	Very high	95.5	Very high	44 Å²	44	39.7 Å²	39.7	17%	0.173	21%	0.211	C	C	.	.			trans	-77	119.1	-167.8	-55.3	-73.1	0	0	0	112.7	R64 W128 D131 S192 E199 M200 Y243	R64-Y195 HydrophobicContact CB-CE1 4.17Å; R64-Y195 HydrophobicContact CG-CE1 4.46Å; W128-Y195 HydrophobicContact CZ2-CD2 4.45Å; W128-Y195 AromaticContact CZ2-CE2 3.84Å; W128-Y195 HydrophobicContact CZ2-CE2 3.84Å; W128-Y195 AromaticContact NE1-CE2 3.98Å; W128-Y195 AromaticContact NE1-CZ 3.74Å; W128-Y195 PolarHBondContact NE1-OH 3.15Å; D131-Y195 WeakPolarHBondContact OD1-CD2 3.38Å; S192-Y195 WeakPolarHBondContact CB-O 3.42Å; S192-Y195 WeakPolarHBondContact OG-CB 3.38Å; S192-Y195 PolarHBondContact OG-N 3.23Å; S192-Y195 PolarHBondContact OG-O 3.25Å; Y195-E199 HydrophobicContact CD1-CB 4.37Å; Y195-M200 HydrophobicContact CD2-CE 3.79Å; Y195-M200 HydrophobicContact CD2-SD 4.39Å; Y195-M200 HydrophobicContact CG-CB 4.49Å; Y195-M200 HydrophobicContact CG-CE 4.43Å; Y195-Y243 VanDerWaalsContact O-CD1 3.31Å; Y195-Y243 WeakPolarHBondContact O-CD1 3.43Å; Y195-Y243 VanDerWaalsContact O-CE1 3.3Å; Y195-Y243 WeakPolarHBondContact O-CE1 3.19Å
196	P	95.8	Very high	95.2	Very high	20 Å²	20	41.8 Å²	41.8	13%	0.13	21%	0.211	C	C	.	.			trans	-74.4	172.3	173.9	32.4	-36.5	0	0	0	112.1	A194 T198 E199 M200 E242	A194-P196 WeakPolarHBondContact O-CD 3.29Å; P196-T198 WeakPolarHBondContact CG-OG1 3.4Å; P196-T198 PolarHBondContact O-N 2.91Å; P196-T198 VanDerWaalsContact O-N 3.08Å; P196-E199 HydrophobicContact CG-CG 4.4Å; P196-E199 PolarHBondContact O-N 3.29Å; P196-M200 PolarHBondContact O-N 2.93Å; P196-E242 CarbonylContact C-O 3.58Å; P196-E242 WeakPolarHBondContact CA-O 3.49Å; P196-E242 WeakPolarHBondContact CB-O 3.34Å
197	K	95.4	Very high	94.7	Very high	77 Å²	77	43 Å²	43	34%	0.335	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-25.9	176.2	174.6	174.5	163.3	177.2	0	114	E199 I201 E235 E242 V244	K197-E199 PolarHBondContact O-N 3.04Å; K197-I201 HydrophobicContact CG-CG2 4.14Å; K197-E235 WeakPolarHBondContact CD-OE2 3.42Å; K197-E235 IonicContact NZ-OE1 2.97Å; K197-E235 PolarHBondContact NZ-OE1 2.9Å; K197-E235 IonicContact NZ-OE2 2.73Å; K197-E235 PolarHBondContact NZ-OE2 2.97Å; K197-E242 WeakPolarHBondContact CB-O 3.31Å; K197-E242 PolarHBondContact N-O 2.5Å; K197-V244 HydrophobicContact CB-CG2 4.13Å; K197-V244 HydrophobicContact CD-CG2 4.14Å; K197-V244 HydrophobicContact CG-CG2 4Å
198	T	93.9	Very high	93.9	Very high	111 Å²	111	45.5 Å²	45.5	68%	0.681	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-6.6	174.3	48.8	0	0	0	0	114	P196	P196-T198 WeakPolarHBondContact CG-OG1 3.4Å; P196-T198 PolarHBondContact O-N 2.91Å; P196-T198 VanDerWaalsContact O-N 3.08Å
199	E	94.7	Very high	92.9	Very high	54 Å²	54	51.2 Å²	51.2	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-40.3	179.4	-72.3	-152.3	-103.4	0	0	113.4	R64 V71 T72 Y195 P196 K197	R64-E199 WeakPolarHBondContact CD-OE2 3.36Å; R64-E199 IonicContact CZ-OE2 2.64Å; R64-E199 IonicContact NE-OE2 2.67Å; R64-E199 PolarHBondContact NE-OE2 3.46Å; R64-E199 PolarHBondContact NH1-O 3.39Å; R64-E199 IonicContact NH2-OE2 2.67Å; V71-E199 WeakPolarHBondContact CA-O 3.45Å; T72-E199 PolarHBondContact N-O 3.39Å; Y195-E199 HydrophobicContact CD1-CB 4.37Å; P196-E199 HydrophobicContact CG-CG 4.4Å; P196-E199 PolarHBondContact O-N 3.29Å; K197-E199 PolarHBondContact O-N 3.04Å
200	M	95.2	Very high	92.4	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	139.3	-179	-170.2	163.7	71.7	0	0	111.5	T72 V74 W128 P130 D131 Y195 P196 Y202	T72-M200 WeakPolarHBondContact O-CA 3.4Å; T72-M200 WeakPolarHBondContact O-CG 3.47Å; V74-M200 HydrophobicContact CG2-CG 3.89Å; V74-M200 HydrophobicContact CG2-SD 3.61Å; W128-M200 HydrophobicContact CH2-SD 3.59Å; W128-M200 VanDerWaalsContact CH2-SD 3.59Å; W128-M200 HydrophobicContact CZ2-SD 3.99Å; P130-M200 HydrophobicContact CB-CE 3.95Å; P130-M200 HydrophobicContact CB-SD 3.88Å; D131-M200 WeakPolarHBondContact OD1-CE 3.28Å; Y195-M200 HydrophobicContact CD2-CE 3.79Å; Y195-M200 HydrophobicContact CD2-SD 4.39Å; Y195-M200 HydrophobicContact CG-CB 4.49Å; Y195-M200 HydrophobicContact CG-CE 4.43Å; P196-M200 PolarHBondContact O-N 2.93Å; M200-Y202 HydrophobicContact CE-CE2 3.93Å; M200-Y202 WeakPolarHBondContact CE-OH 3.04Å
201	I	96.1	Very high	92.2	Very high	45 Å²	45	56.9 Å²	56.9	23%	0.231	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.2	176.9	61.5	173.9	0	0	0	110.6	V71 T72 E73 V74 K197 V244	V71-I201 HydrophobicContact CG2-CD1 4Å; V71-I201 HydrophobicContact CG2-CG1 4.17Å; T72-I201 PolarHBondContact O-N 2.89Å; E73-I201 HydrophobicContact CB-CG1 4.3Å; E73-I201 HydrophobicContact CG-CD1 4.45Å; E73-I201 HydrophobicContact CG-CG1 4.28Å; V74-I201 PolarHBondContact N-O 3.47Å; K197-I201 HydrophobicContact CG-CG2 4.14Å; I201-V244 HydrophobicContact CB-CG2 4.37Å; I201-V244 HydrophobicContact CG2-CG2 4.11Å
202	Y	96.6	Very high	92	Very high	9 Å²	9	57.1 Å²	57.1	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	139.3	173	-69.6	-92	0	0	0	110.3	V74 T76 T132 F190 M200 M246	V74-Y202 HydrophobicContact CB-CD1 4.03Å; V74-Y202 HydrophobicContact CB-CE1 4.1Å; V74-Y202 HydrophobicContact CG1-CD1 4.05Å; V74-Y202 HydrophobicContact CG1-CE1 3.89Å; V74-Y202 WeakPolarHBondContact O-CA 3.05Å; T76-Y202 HydrophobicContact CG2-CD1 3.86Å; T76-Y202 HydrophobicContact CG2-CE1 4.34Å; T132-Y202 HydrophobicContact CG2-CE1 3.92Å; T132-Y202 PolarHBondContact OG1-OH 3.32Å; T132-Y202 VanDerWaalsContact OG1-OH 3.06Å; F190-Y202 HydrophobicContact CE2-CD1 4.49Å; M200-Y202 HydrophobicContact CE-CE2 3.93Å; M200-Y202 WeakPolarHBondContact CE-OH 3.04Å; Y202-M246 VanDerWaalsContact CB-CG 3.43Å; Y202-M246 HydrophobicContact CG-CG 4.13Å
203	T	95.5	Very high	91.8	Very high	40 Å²	40	60.3 Å²	60.3	25%	0.245	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	157	177.3	57.1	0	0	0	0	111	E73 V74 K75 T76 M246	E73-T203 HydrophobicContact CG-CG2 4.18Å; E73-T203 WeakPolarHBondContact CG-OG1 3.14Å; E73-T203 WeakPolarHBondContact OE1-CG2 3.47Å; E73-T203 PolarHBondContact OE1-OG1 3.42Å; V74-T203 PolarHBondContact O-N 3.23Å; K75-T203 CarbonylContact C-O 3.35Å; K75-T203 VanDerWaalsContact CA-O 3.31Å; K75-T203 WeakPolarHBondContact CA-O 3.43Å; K75-T203 VanDerWaalsContact CG-OG1 3.29Å; K75-T203 WeakPolarHBondContact CG-OG1 3.45Å; T76-T203 PolarHBondContact N-O 3Å; T76-T203 PolarHBondContact OG1-O 3.26Å; T203-M246 VanDerWaalsContact C-CE 3.43Å
204	W	94.8	Very high	91.7	Very high	27 Å²	27	54.1 Å²	54.1	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	121.1	-177.6	-72.5	116.3	0	0	0	111.4	I78 F190 K206 G207 S211 V212 V231 S232 M246 V248	I78-W204 HydrophobicContact CD1-CH2 4.03Å; I78-W204 HydrophobicContact CD1-CZ3 4.18Å; I78-W204 HydrophobicContact CG1-CZ3 4.19Å; F190-W204 AromaticContact CE1-CH2 3.78Å; F190-W204 HydrophobicContact CE1-CH2 3.78Å; F190-W204 HydrophobicContact CE1-CZ2 4.34Å; F190-W204 AromaticContact CZ-CH2 3.64Å; F190-W204 HydrophobicContact CZ-CH2 3.64Å; F190-W204 HydrophobicContact CZ-CZ2 4.22Å; F190-W204 HydrophobicContact CZ-CZ3 4.11Å; W204-K206 VanDerWaalsContact C-N 3.32Å; W204-K206 PolarHBondContact O-N 2.93Å; W204-G207 PolarHBondContact O-N 3.35Å; W204-G207 VanDerWaalsContact O-N 3.08Å; W204-S211 VanDerWaalsContact CE3-CB 3.43Å; W204-V212 HydrophobicContact CH2-CG2 4.09Å; W204-V212 HydrophobicContact CZ3-CG2 4.09Å; W204-V231 HydrophobicContact CD2-CG1 3.89Å; W204-V231 HydrophobicContact CG-CG1 4.28Å; W204-V231 HydrophobicContact CH2-CG1 4.2Å; W204-V231 HydrophobicContact CZ2-CG1 3.42Å; W204-V231 VanDerWaalsContact CZ2-CG1 3.42Å; W204-V231 VanDerWaalsContact NE1-CG1 3.28Å; W204-S232 PolarHBondContact NE1-O 2.79Å; W204-M246 HydrophobicContact CD2-CE 3.52Å; W204-M246 VanDerWaalsContact CE2-CE 3.42Å; W204-M246 HydrophobicContact CE3-CE 4.18Å; W204-M246 HydrophobicContact CG-CE 3.65Å; W204-M246 HydrophobicContact CZ2-CB 3.97Å; W204-M246 HydrophobicContact CZ2-CE 4.06Å; W204-V248 HydrophobicContact CH2-CG2 3.62Å; W204-V248 HydrophobicContact CZ2-CG2 3.88Å
205	T	92	Very high	91.4	Very high	58 Å²	58	52.6 Å²	52.6	36%	0.356	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-39	-168.1	-53.6	0	0	0	0	114.2	T76 S211	T76-T205 PolarHBondContact N-OG1 3.2Å; T76-T205 WeakPolarHBondContact O-CB 3.42Å; T76-T205 PolarHBondContact O-N 2.72Å; T76-T205 PolarHBondContact O-OG1 3.41Å; T205-S211 PolarHBondContact N-OG 3.12Å
206	K	88.2	Confident	90.8	Very high	88 Å²	88	55.3 Å²	55.3	38%	0.383	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	18.1	-179.6	-55.5	172.4	-170.1	146.5	0	111.9	D77 W204 Y210 S211 E213	D77-K206 IonicContact OD1-NZ 3.65Å; D77-K206 PolarHBondContact OD1-NZ 2.91Å; D77-K206 IonicContact OD2-NZ 3.69Å; W204-K206 VanDerWaalsContact C-N 3.32Å; W204-K206 PolarHBondContact O-N 2.93Å; K206-Y210 WeakPolarHBondContact CD-O 3.32Å; K206-S211 WeakPolarHBondContact CA-OG 3.28Å; K206-S211 PolarHBondContact N-OG 3.36Å; K206-E213 VanDerWaalsContact NZ-CD 3.3Å; K206-E213 IonicContact NZ-OE1 2.67Å; K206-E213 PolarHBondContact NZ-OE1 3.4Å; K206-E213 IonicContact NZ-OE2 2.64Å
207	G	86.4	Confident	90.2	Very high	27 Å²	27	62 Å²	62	28%	0.278	32%	0.322	S	S	.	.			trans	74	173.4	-165.3	0	0	0	0	0	113.1	W204 S211	W204-G207 PolarHBondContact O-N 3.35Å; W204-G207 VanDerWaalsContact O-N 3.08Å; G207-S211 PolarHBondContact N-OG 3.34Å; G207-S211 WeakPolarHBondContact O-CB 3.41Å; G207-S211 PolarHBondContact O-N 3.39Å; G207-S211 PolarHBondContact O-OG 2.94Å
208	P	78.3	Confident	89.4	Confident	67 Å²	67	59 Å²	59	44%	0.435	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-58.9	-55.5	-166.3	-26.4	35.3	0	0	0	114.1	Y210 V231	P208-Y210 VanDerWaalsContact C-N 3.27Å; P208-Y210 PolarHBondContact O-N 3.41Å; P208-V231 HydrophobicContact CB-CB 3.99Å; P208-V231 HydrophobicContact CB-CG1 4Å; P208-V231 WeakPolarHBondContact O-CB 3.48Å; P208-V231 WeakPolarHBondContact O-CG2 2.73Å
209	Q	75.8	Confident	88.5	Confident	121 Å²	121	55.4 Å²	55.4	57%	0.565	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-70.7	-15	-170.7	-57.5	-68.1	39.2	0	0	115
210	Y	87.4	Confident	87.6	Confident	174 Å²	174	57.6 Å²	57.6	68%	0.682	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-115	-6.6	-175.1	-59.8	-64.1	0	0	0	113.9	K206 P208 V212	K206-Y210 WeakPolarHBondContact CD-O 3.32Å; P208-Y210 VanDerWaalsContact C-N 3.27Å; P208-Y210 PolarHBondContact O-N 3.41Å; Y210-V212 VanDerWaalsContact C-N 3.32Å
211	S	91.9	Very high	87.1	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.314	C	S	.	.	S	Bend	trans	-90.7	6.6	179.9	-52.9	0	0	0	0	113.9	I78 W204 T205 K206 G207	I78-S211 PolarHBondContact N-O 3.34Å; W204-S211 VanDerWaalsContact CE3-CB 3.43Å; T205-S211 PolarHBondContact N-OG 3.12Å; K206-S211 WeakPolarHBondContact CA-OG 3.28Å; K206-S211 PolarHBondContact N-OG 3.36Å; G207-S211 PolarHBondContact N-OG 3.34Å; G207-S211 WeakPolarHBondContact O-CB 3.41Å; G207-S211 PolarHBondContact O-N 3.39Å; G207-S211 PolarHBondContact O-OG 2.94Å
212	V	93.3	Very high	86.5	Confident	5 Å²	5	62.5 Å²	62.5	3%	0.03	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	106	171.8	179.3	0	0	0	0	107.4	I78 W204 Y210 V214 H229 V231 V248 F250	I78-V212 HydrophobicContact CB-CG2 4.44Å; I78-V212 CarbonylContact O-C 3.51Å; I78-V212 WeakPolarHBondContact O-CA 3.48Å; W204-V212 HydrophobicContact CH2-CG2 4.09Å; W204-V212 HydrophobicContact CZ3-CG2 4.09Å; Y210-V212 VanDerWaalsContact C-N 3.32Å; V212-V214 HydrophobicContact CG1-CG2 4.28Å; V212-H229 PolarHBondContact O-CE1 2.76Å; V212-H229 PolarHBondContact O-NE2 2.77Å; V212-V231 HydrophobicContact CB-CG2 4.23Å; V212-V231 HydrophobicContact CG2-CG2 3.77Å; V212-V248 HydrophobicContact CG1-CG1 4.16Å; V212-V248 HydrophobicContact CG2-CG1 4.19Å; V212-V248 HydrophobicContact CG2-CG2 3.73Å; V212-F250 HydrophobicContact CG1-CE1 4.43Å
213	E	92.2	Very high	86.1	Confident	70 Å²	70	67.2 Å²	67.2	33%	0.327	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.6	-178.5	-70.7	174.4	168.7	0	0	109.2	I78 Y79 V80 R100 K206	I78-E213 PolarHBondContact O-N 3.24Å; Y79-E213 HydrophobicContact CD2-CB 3.76Å; Y79-E213 WeakPolarHBondContact CD2-OE2 3.49Å; Y79-E213 HydrophobicContact CE2-CB 4.36Å; V80-E213 PolarHBondContact N-O 3.16Å; R100-E213 IonicContact NH1-OE2 3.96Å; K206-E213 VanDerWaalsContact NZ-CD 3.3Å; K206-E213 IonicContact NZ-OE1 2.67Å; K206-E213 PolarHBondContact NZ-OE1 3.4Å; K206-E213 IonicContact NZ-OE2 2.64Å
214	V	91.6	Very high	85.9	Confident	39 Å²	39	65.5 Å²	65.5	24%	0.236	35%	0.354	C	S	.	.			trans	-122.1	105.7	175.1	-168.2	0	0	0	0	108.8	V80 V212 L226 F250	V80-V214 HydrophobicContact CB-CG1 4.29Å; V80-V214 HydrophobicContact CB-CG2 4.08Å; V80-V214 HydrophobicContact CG1-CG1 4.47Å; V80-V214 HydrophobicContact CG2-CG2 3.91Å; V212-V214 HydrophobicContact CG1-CG2 4.28Å; V214-L226 HydrophobicContact CG1-CD2 3.86Å; V214-F250 HydrophobicContact CG2-CE1 4.35Å
215	P	89.2	Confident	85.7	Confident	25 Å²	25	67.6 Å²	67.6	16%	0.162	37%	0.368	C	S	.	.			trans	-64.8	149.9	174.1	-20.2	32.7	0	0	0	112	Y79 V80 E217 S218 S219	Y79-P215 HydrophobicContact CE1-CG 4Å; Y79-P215 HydrophobicContact CE2-CG 4.16Å; Y79-P215 VanDerWaalsContact OH-CG 3.23Å; Y79-P215 WeakPolarHBondContact OH-CG 3.17Å; V80-P215 WeakPolarHBondContact O-CD 3.46Å; P215-E217 VanDerWaalsContact C-N 3.33Å; P215-E217 PolarHBondContact O-N 2.92Å; P215-S218 WeakPolarHBondContact O-CB 3.4Å; P215-S218 PolarHBondContact O-N 3.2Å; P215-S218 VanDerWaalsContact O-N 3.1Å; P215-S219 PolarHBondContact O-N 3.49Å
216	P	83.4	Confident	85.6	Confident	102 Å²	102	66.1 Å²	66.1	66%	0.662	36%	0.357	S	S	*	.	S	Bend	trans	-61.9	-39.3	178.7	24.5	-33.5	0	0	0	112.4	S218 S219	P216-S218 PolarHBondContact O-N 3Å; P216-S219 PolarHBondContact O-N 2.93Å; P216-S219 VanDerWaalsContact O-N 3.1Å; P216-S219 PolarHBondContact O-OG 3.3Å
217	E	82.7	Confident	85.7	Confident	159 Å²	159	67.3 Å²	67.3	74%	0.743	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-55.1	-40.1	174.3	-53	-56.5	149.3	0	0	112.1	P215 S219 S220	P215-E217 VanDerWaalsContact C-N 3.33Å; P215-E217 PolarHBondContact O-N 2.92Å; E217-S219 VanDerWaalsContact C-N 3.26Å; E217-S219 PolarHBondContact O-N 3.33Å; E217-S220 PolarHBondContact O-OG 3.06Å
218	S	78.3	Confident	85.9	Confident	15 Å²	15	67.3 Å²	67.3	11%	0.105	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-76.2	-6.1	-177.6	-57.5	0	0	0	0	114.3	T81 F83 P215 P216	T81-S218 VanDerWaalsContact O-CB 3.25Å; T81-S218 WeakPolarHBondContact O-CB 3.47Å; T81-S218 PolarHBondContact O-OG 2.85Å; F83-S218 PolarHBondContact N-O 3.06Å; P215-S218 WeakPolarHBondContact O-CB 3.4Å; P215-S218 PolarHBondContact O-N 3.2Å; P215-S218 VanDerWaalsContact O-N 3.1Å; P216-S218 PolarHBondContact O-N 3Å
219	S	75.8	Confident	86.6	Confident	35 Å²	35	66.2 Å²	66.2	25%	0.245	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-98.6	3.5	-176.3	71.5	0	0	0	0	114.4	P215 P216 E217 L221	P215-S219 PolarHBondContact O-N 3.49Å; P216-S219 PolarHBondContact O-N 2.93Å; P216-S219 VanDerWaalsContact O-N 3.1Å; P216-S219 PolarHBondContact O-OG 3.3Å; E217-S219 VanDerWaalsContact C-N 3.26Å; E217-S219 PolarHBondContact O-N 3.33Å; S219-L221 PolarHBondContact O-N 3.2Å
220	S	75	Confident	87.4	Confident	100 Å²	100	63.4 Å²	63.4	70%	0.699	35%	0.347	S	S	*	.			trans	-76.4	85.9	-170.8	48.6	0	0	0	0	113.9	E217	E217-S220 PolarHBondContact O-OG 3.06Å
221	L	84.3	Confident	87.7	Confident	15 Å²	15	56 Å²	56	8%	0.079	32%	0.32	C	S	.	.			trans	-96.7	146	-179.6	-71.9	170.2	0	0	0	113.9	F83 G84 S219 Y224 L252 K255	F83-L221 HydrophobicContact CB-CD1 4.31Å; F83-L221 HydrophobicContact CB-CD2 4.17Å; F83-L221 HydrophobicContact CB-CG 4.31Å; F83-L221 HydrophobicContact CD1-CD1 3.7Å; F83-L221 HydrophobicContact CD1-CD2 3.92Å; F83-L221 HydrophobicContact CD1-CG 4.3Å; F83-L221 HydrophobicContact CE1-CD1 4.23Å; F83-L221 HydrophobicContact CG-CD1 4.12Å; F83-L221 HydrophobicContact CG-CD2 4.47Å; F83-L221 WeakPolarHBondContact O-CD2 3.35Å; G84-L221 VanDerWaalsContact O-CD2 3.24Å; G84-L221 WeakPolarHBondContact O-CD2 3.28Å; S219-L221 PolarHBondContact O-N 3.2Å; L221-Y224 CarbonylContact C-O 3.6Å; L221-Y224 WeakPolarHBondContact CB-O 3Å; L221-Y224 VanDerWaalsContact O-O 3.09Å; L221-L252 HydrophobicContact CD1-CD2 3.78Å; L221-K255 PolarHBondContact O-NZ 3.32Å
222	V	84.4	Confident	87.6	Confident	137 Å²	137	58 Å²	58	83%	0.83	33%	0.334	S	S	*	.	S	Bend	trans	-78.5	-46.7	-175.1	-178.1	0	0	0	0	112.8	K255	V222-K255 WeakPolarHBondContact O-CD 3.38Å
223	Q	87.6	Confident	87.6	Confident	108 Å²	108	61.7 Å²	61.7	51%	0.505	36%	0.36	S	S	.	.	S	Bend	trans	-100	-16.8	-175.1	-68.4	174.5	-20.7	0	0	113.8	K255	Q223-K255 PolarHBondContact O-N 3.38Å
224	Y	91.3	Very high	87.6	Confident	3 Å²	3	61.1 Å²	61.1	1%	0.012	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	166.2	-175.4	-71.3	-90.3	0	0	0	110.3	V86 D88 H184 L221 L252 K253 R254 K255	V86-Y224 HydrophobicContact CB-CD2 3.97Å; V86-Y224 HydrophobicContact CB-CE2 3.77Å; V86-Y224 HydrophobicContact CG1-CD2 4.19Å; V86-Y224 HydrophobicContact CG1-CE2 3.56Å; V86-Y224 HydrophobicContact CG2-CD2 4.12Å; V86-Y224 HydrophobicContact CG2-CE2 4.33Å; D88-Y224 PolarHBondContact OD1-OH 3.4Å; H184-Y224 AromaticContact CD2-CE1 3.93Å; L221-Y224 CarbonylContact C-O 3.6Å; L221-Y224 WeakPolarHBondContact CB-O 3Å; L221-Y224 VanDerWaalsContact O-O 3.09Å; Y224-L252 HydrophobicContact CD1-CB 3.85Å; Y224-L252 HydrophobicContact CE1-CB 4.37Å; Y224-L252 HydrophobicContact CG-CB 4.4Å; Y224-K253 CarbonylContact C-O 3.45Å; Y224-K253 WeakPolarHBondContact CA-O 3.48Å; Y224-R254 HydrophobicContact CD1-CB 4.24Å; Y224-R254 HydrophobicContact CE1-CB 4.19Å; Y224-R254 HydrophobicContact CE1-CG 4.5Å; Y224-R254 VanDerWaalsContact OH-CZ 3.31Å; Y224-R254 PolarHBondContact OH-NH1 3.43Å; Y224-R254 VanDerWaalsContact OH-NH1 3.13Å; Y224-R254 PolarHBondContact OH-NH2 3.39Å; Y224-K255 VanDerWaalsContact O-CE 3.23Å; Y224-K255 WeakPolarHBondContact O-CE 3.29Å; Y224-K255 PolarHBondContact O-NZ 3.47Å
225	D	90.4	Very high	87.8	Confident	72 Å²	72	65 Å²	65	39%	0.385	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.1	158.8	-72	-55.2	0	0	0	109	I227 L252 K253 K255	D225-I227 HydrophobicContact CB-CD1 4.2Å; D225-I227 PolarHBondContact O-N 2.64Å; D225-L252 WeakPolarHBondContact O-CA 3.46Å; D225-K253 PolarHBondContact N-O 2.91Å; D225-K253 PolarHBondContact O-N 3.22Å; D225-K255 WeakPolarHBondContact OD1-CE 3.48Å; D225-K255 IonicContact OD1-NZ 3.52Å; D225-K255 PolarHBondContact OD1-NZ 2.8Å; D225-K255 WeakPolarHBondContact OD2-CE 3.44Å; D225-K255 IonicContact OD2-NZ 3.65Å
226	L	90.9	Very high	88	Confident	27 Å²	27	66.4 Å²	66.4	14%	0.141	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	101.8	170.5	178.9	65.1	0	0	0	108.6	F83 V214 G228 F250 L252	F83-L226 HydrophobicContact CD2-CD2 4.21Å; F83-L226 HydrophobicContact CE2-CD1 4.47Å; V214-L226 HydrophobicContact CG1-CD2 3.86Å; L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 WeakPolarHBondContact CD1-O 3.44Å; L226-F250 HydrophobicContact CD1-CB 3.96Å; L226-F250 HydrophobicContact CD1-CD1 4.23Å; L226-L252 HydrophobicContact CB-CD2 4.2Å; L226-L252 HydrophobicContact CD1-CD2 3.77Å
227	I	90.1	Very high	88.5	Confident	112 Å²	112	69.2 Å²	69.2	57%	0.574	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.1	-29.3	-177.8	-56	-57.1	0	0	0	111.4	D225 H251 K253	D225-I227 HydrophobicContact CB-CD1 4.2Å; D225-I227 PolarHBondContact O-N 2.64Å; I227-H251 PolarHBondContact N-O 2.92Å; I227-K253 HydrophobicContact CD1-CB 4Å; I227-K253 HydrophobicContact CG1-CB 3.75Å
228	G	90.6	Very high	89	Confident	27 Å²	27	64 Å²	64	28%	0.278	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	164.9	-165.7	178.6	0	0	0	0	0	111.4	L226 H251	L226-G228 VanDerWaalsContact C-N 3.31Å; L226-G228 WeakPolarHBondContact CD1-O 3.44Å; G228-H251 PolarHBondContact O-N 2.84Å
229	H	91.9	Very high	89.7	Confident	45 Å²	45	71.7 Å²	71.7	21%	0.208	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	156.3	174.5	66.6	-88.6	0	0	0	110.3	V212 V248 H249 F250	V212-H229 PolarHBondContact O-CE1 2.76Å; V212-H229 PolarHBondContact O-NE2 2.77Å; H229-V248 HydrophobicContact CB-CG1 4.4Å; H229-H249 CarbonylContact C-O 3.59Å; H229-H249 WeakPolarHBondContact CA-O 3.39Å; H229-H249 WeakPolarHBondContact CB-O 3.45Å; H229-F250 HydrophobicContact CB-CD1 3.86Å; H229-F250 HydrophobicContact CB-CE1 4.23Å
230	T	92.9	Very high	90.5	Very high	61 Å²	61	74.5 Å²	74.5	37%	0.374	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145	170.6	52.9	0	0	0	0	110.6	H249 H251	T230-H249 PolarHBondContact N-O 2.64Å; T230-H249 PolarHBondContact O-N 2.93Å; T230-H251 WeakPolarHBondContact CA-NE2 3.21Å; T230-H251 WeakPolarHBondContact CB-NE2 3.43Å; T230-H251 WeakPolarHBondContact CG2-NE2 3.26Å; T230-H251 PolarHBondContact N-NE2 2.95Å; T230-H251 PolarHBondContact OG1-NE2 3.45Å
231	V	93.9	Very high	91.4	Very high	20 Å²	20	71 Å²	71	12%	0.121	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.8	-168.3	-177.7	0	0	0	0	110.6	W204 P208 V212 V248	W204-V231 HydrophobicContact CD2-CG1 3.89Å; W204-V231 HydrophobicContact CG-CG1 4.28Å; W204-V231 HydrophobicContact CH2-CG1 4.2Å; W204-V231 HydrophobicContact CZ2-CG1 3.42Å; W204-V231 VanDerWaalsContact CZ2-CG1 3.42Å; W204-V231 VanDerWaalsContact NE1-CG1 3.28Å; P208-V231 HydrophobicContact CB-CB 3.99Å; P208-V231 HydrophobicContact CB-CG1 4Å; P208-V231 WeakPolarHBondContact O-CB 3.48Å; P208-V231 WeakPolarHBondContact O-CG2 2.73Å; V212-V231 HydrophobicContact CB-CG2 4.23Å; V212-V231 HydrophobicContact CG2-CG2 3.77Å; V231-V248 HydrophobicContact CG2-CG1 4.41Å
232	S	90.7	Very high	92	Very high	41 Å²	41	74.2 Å²	74.2	29%	0.287	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	169.1	-179.3	61.8	0	0	0	0	112.5	W204 T247	W204-S232 PolarHBondContact NE1-O 2.79Å; S232-T247 PolarHBondContact N-O 3.05Å; S232-T247 PolarHBondContact O-N 2.9Å; S232-T247 VanDerWaalsContact O-O 3.09Å; S232-T247 WeakPolarHBondContact OG-CB 3.41Å; S232-T247 PolarHBondContact OG-O 3.01Å
233	S	92.1	Very high	92.5	Very high	83 Å²	83	68.1 Å²	68.1	58%	0.58	37%	0.374	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	126.9	169.5	54	0	0	0	0	108.2	V245	S233-V245 CarbonylContact C-O 3.6Å; S233-V245 WeakPolarHBondContact CA-O 3.45Å
234	E	92.6	Very high	92.9	Very high	58 Å²	58	63.8 Å²	63.8	27%	0.271	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	144.4	-176.4	-63.6	166.4	170.1	0	0	109.1	K189 V245 T247	K189-E234 IonicContact NZ-OE1 3.72Å; K189-E234 PolarHBondContact NZ-OE1 2.84Å; K189-E234 IonicContact NZ-OE2 2.78Å; K189-E234 PolarHBondContact NZ-OE2 3.31Å; E234-V245 PolarHBondContact N-O 2.67Å; E234-V245 PolarHBondContact O-N 2.81Å; E234-T247 PolarHBondContact OE2-OG1 3.1Å
235	E	94.8	Very high	93.2	Very high	120 Å²	120	63.7 Å²	63.7	56%	0.561	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.3	119.4	171.7	-64.1	-167.9	-167.5	0	0	109.5	K197	K197-E235 WeakPolarHBondContact CD-OE2 3.42Å; K197-E235 IonicContact NZ-OE1 2.97Å; K197-E235 PolarHBondContact NZ-OE1 2.9Å; K197-E235 IonicContact NZ-OE2 2.73Å; K197-E235 PolarHBondContact NZ-OE2 2.97Å
236	V	94.3	Very high	93.4	Very high	54 Å²	54	60.3 Å²	60.3	33%	0.327	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.7	-172.5	-179.5	0	0	0	0	109.9	Y243 V245	V236-Y243 PolarHBondContact N-O 2.59Å; V236-Y243 PolarHBondContact O-N 3.29Å; V236-V245 HydrophobicContact CB-CG2 3.9Å; V236-V245 HydrophobicContact CG2-CB 4.08Å; V236-V245 HydrophobicContact CG2-CG2 3.61Å
237	K	94.5	Very high	93.7	Very high	161 Å²	161	59 Å²	59	70%	0.7	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.9	175.9	-166.8	159.5	-169.2	145.1	0	110.7	E242	K237-E242 HydrophobicContact CB-CG 4.07Å; K237-E242 HydrophobicContact CD-CG 4.06Å; K237-E242 WeakPolarHBondContact CD-OE1 3.34Å; K237-E242 VanDerWaalsContact CE-OE1 3.25Å; K237-E242 WeakPolarHBondContact CE-OE1 3.44Å; K237-E242 HydrophobicContact CG-CG 3.8Å; K237-E242 IonicContact NZ-OE1 3.61Å; K237-E242 PolarHBondContact NZ-OE1 2.86Å
238	S	92.4	Very high	93.9	Very high	51 Å²	51	53.7 Å²	53.7	36%	0.357	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	167.2	174.9	-179.5	0	0	0	0	109.7	T240 G241	S238-T240 PolarHBondContact O-N 2.04Å; S238-T240 PolarHBondContact OG-OG1 2.84Å; S238-G241 WeakPolarHBondContact CA-O 3.47Å; S238-G241 WeakPolarHBondContact CB-O 3.44Å; S238-G241 PolarHBondContact N-O 2.89Å; S238-G241 PolarHBondContact O-N 2.98Å
239	I	93.6	Very high	94.1	Very high	176 Å²	176	54.5 Å²	54.5	90%	0.903	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.2	170.5	64.4	177.1	0	0	0	112.6
240	T	92.6	Very high	94.3	Very high	94 Å²	94	52.4 Å²	52.4	58%	0.577	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-11.3	179.4	51	0	0	0	0	114.1	S238 Y243	S238-T240 PolarHBondContact O-N 2.04Å; S238-T240 PolarHBondContact OG-OG1 2.84Å; T240-Y243 WeakPolarHBondContact CB-OH 3.4Å; T240-Y243 VanDerWaalsContact OG1-CE2 3.28Å; T240-Y243 WeakPolarHBondContact OG1-CE2 3.37Å; T240-Y243 PolarHBondContact OG1-OH 2.22Å
241	G	93.8	Very high	94.3	Very high	25 Å²	25	52.6 Å²	52.6	26%	0.258	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	142.6	-175.1	-174.3	0	0	0	0	0	113.4	S238 Y243	S238-G241 WeakPolarHBondContact CA-O 3.47Å; S238-G241 WeakPolarHBondContact CB-O 3.44Å; S238-G241 PolarHBondContact N-O 2.89Å; S238-G241 PolarHBondContact O-N 2.98Å; G241-Y243 WeakPolarHBondContact O-CD2 3.37Å; G241-Y243 WeakPolarHBondContact O-CE2 3.38Å
242	E	96.3	Very high	94.2	Very high	83 Å²	83	51.8 Å²	51.8	39%	0.388	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.7	177.7	-71.5	167.6	-172.3	0	0	110.2	P196 K197 K237	P196-E242 CarbonylContact C-O 3.58Å; P196-E242 WeakPolarHBondContact CA-O 3.49Å; P196-E242 WeakPolarHBondContact CB-O 3.34Å; K197-E242 WeakPolarHBondContact CB-O 3.31Å; K197-E242 PolarHBondContact N-O 2.5Å; K237-E242 HydrophobicContact CB-CG 4.07Å; K237-E242 HydrophobicContact CD-CG 4.06Å; K237-E242 WeakPolarHBondContact CD-OE1 3.34Å; K237-E242 VanDerWaalsContact CE-OE1 3.25Å; K237-E242 WeakPolarHBondContact CE-OE1 3.44Å; K237-E242 HydrophobicContact CG-CG 3.8Å; K237-E242 IonicContact NZ-OE1 3.61Å; K237-E242 PolarHBondContact NZ-OE1 2.86Å
243	Y	96.2	Very high	94.3	Very high	10 Å²	10	52.5 Å²	52.5	4%	0.039	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	137.7	-172.7	-66.9	-98.5	0	0	0	111	Y193 A194 Y195 V236 T240 G241	Y193-Y243 WeakPolarHBondContact O-CE1 3.26Å; A194-Y243 PolarHBondContact O-OH 3.13Å; Y195-Y243 VanDerWaalsContact O-CD1 3.31Å; Y195-Y243 WeakPolarHBondContact O-CD1 3.43Å; Y195-Y243 VanDerWaalsContact O-CE1 3.3Å; Y195-Y243 WeakPolarHBondContact O-CE1 3.19Å; V236-Y243 PolarHBondContact N-O 2.59Å; V236-Y243 PolarHBondContact O-N 3.29Å; T240-Y243 WeakPolarHBondContact CB-OH 3.4Å; T240-Y243 VanDerWaalsContact OG1-CE2 3.28Å; T240-Y243 WeakPolarHBondContact OG1-CE2 3.37Å; T240-Y243 PolarHBondContact OG1-OH 2.22Å; G241-Y243 WeakPolarHBondContact O-CD2 3.37Å; G241-Y243 WeakPolarHBondContact O-CE2 3.38Å
244	V	95.8	Very high	94.3	Very high	16 Å²	16	48.8 Å²	48.8	10%	0.097	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	124.3	166.5	-176.9	0	0	0	0	108.5	K197 I201 M246	K197-V244 HydrophobicContact CB-CG2 4.13Å; K197-V244 HydrophobicContact CD-CG2 4.14Å; K197-V244 HydrophobicContact CG-CG2 4Å; I201-V244 HydrophobicContact CB-CG2 4.37Å; I201-V244 HydrophobicContact CG2-CG2 4.11Å; V244-M246 HydrophobicContact CG1-SD 4.34Å
245	V	96.8	Very high	94.2	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.9	177.6	179.9	0	0	0	0	108.9	K189 F190 S233 E234 V236	K189-V245 HydrophobicContact CB-CG1 4.04Å; F190-V245 WeakPolarHBondContact O-CA 3.3Å; S233-V245 CarbonylContact C-O 3.6Å; S233-V245 WeakPolarHBondContact CA-O 3.45Å; E234-V245 PolarHBondContact N-O 2.67Å; E234-V245 PolarHBondContact O-N 2.81Å; V236-V245 HydrophobicContact CB-CG2 3.9Å; V236-V245 HydrophobicContact CG2-CB 4.08Å; V236-V245 HydrophobicContact CG2-CG2 3.61Å
246	M	95.8	Very high	94	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128.4	177	-57.4	-62.8	-96	0	0	108.3	K189 F190 Y202 T203 W204 V244	K189-M246 WeakPolarHBondContact CA-O 3.45Å; F190-M246 HydrophobicContact CD1-CB 4Å; F190-M246 HydrophobicContact CD2-CB 3.92Å; F190-M246 HydrophobicContact CD2-CG 4.25Å; F190-M246 HydrophobicContact CE1-CB 3.53Å; F190-M246 HydrophobicContact CE2-CB 3.45Å; F190-M246 VanDerWaalsContact CE2-CB 3.45Å; F190-M246 HydrophobicContact CE2-CG 3.64Å; F190-M246 HydrophobicContact CG-CB 4.18Å; F190-M246 HydrophobicContact CZ-CB 3.25Å; F190-M246 HydrophobicContact CZ-CG 3.84Å; F190-M246 PolarHBondContact N-O 2.7Å; F190-M246 PolarHBondContact O-N 2.67Å; Y202-M246 VanDerWaalsContact CB-CG 3.43Å; Y202-M246 HydrophobicContact CG-CG 4.13Å; T203-M246 VanDerWaalsContact C-CE 3.43Å; W204-M246 HydrophobicContact CD2-CE 3.52Å; W204-M246 VanDerWaalsContact CE2-CE 3.42Å; W204-M246 HydrophobicContact CE3-CE 4.18Å; W204-M246 HydrophobicContact CG-CE 3.65Å; W204-M246 HydrophobicContact CZ2-CB 3.97Å; W204-M246 HydrophobicContact CZ2-CE 4.06Å; V244-M246 HydrophobicContact CG1-SD 4.34Å
247	T	95.5	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	127	-173.1	-69.4	0	0	0	0	110.3	P187 L188 K189 S232 E234 H249	P187-T247 HydrophobicContact CB-CG2 4.48Å; L188-T247 WeakPolarHBondContact O-CA 3.31Å; K189-T247 HydrophobicContact CD-CG2 4.29Å; K189-T247 WeakPolarHBondContact CD-OG1 3.41Å; K189-T247 WeakPolarHBondContact CE-OG1 3.49Å; K189-T247 HydrophobicContact CG-CG2 4.1Å; K189-T247 WeakPolarHBondContact CG-OG1 3.34Å; S232-T247 PolarHBondContact N-O 3.05Å; S232-T247 PolarHBondContact O-N 2.9Å; S232-T247 VanDerWaalsContact O-O 3.09Å; S232-T247 WeakPolarHBondContact OG-CB 3.41Å; S232-T247 PolarHBondContact OG-O 3.01Å; E234-T247 PolarHBondContact OE2-OG1 3.1Å; T247-H249 WeakPolarHBondContact CG2-CE1 3.37Å
248	V	95.7	Very high	93.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	121	172.7	-177.5	0	0	0	0	108.3	I78 P187 L188 W204 V212 H229 V231 F250	I78-V248 HydrophobicContact CD1-CG2 4.47Å; P187-V248 CarbonylContact C-O 3.53Å; P187-V248 WeakPolarHBondContact CA-O 3.42Å; L188-V248 HydrophobicContact CB-CB 4.45Å; L188-V248 PolarHBondContact N-O 2.99Å; L188-V248 PolarHBondContact O-N 3.43Å; W204-V248 HydrophobicContact CH2-CG2 3.62Å; W204-V248 HydrophobicContact CZ2-CG2 3.88Å; V212-V248 HydrophobicContact CG1-CG1 4.16Å; V212-V248 HydrophobicContact CG2-CG1 4.19Å; V212-V248 HydrophobicContact CG2-CG2 3.73Å; H229-V248 HydrophobicContact CB-CG1 4.4Å; V231-V248 HydrophobicContact CG2-CG1 4.41Å; V248-F250 HydrophobicContact CB-CE2 4.25Å; V248-F250 HydrophobicContact CB-CZ 4.44Å; V248-F250 HydrophobicContact CG1-CD2 4.31Å; V248-F250 HydrophobicContact CG1-CE1 4.04Å; V248-F250 HydrophobicContact CG1-CE2 3.8Å; V248-F250 HydrophobicContact CG1-CZ 3.65Å
249	H	94.9	Very high	93.7	Very high	44 Å²	44	41.5 Å²	41.5	20%	0.204	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	118.8	174.3	-65.2	95.8	0	0	0	109.6	C186 H229 T230 T247	C186-H249 WeakPolarHBondContact O-CA 3.35Å; H229-H249 CarbonylContact C-O 3.59Å; H229-H249 WeakPolarHBondContact CA-O 3.39Å; H229-H249 WeakPolarHBondContact CB-O 3.45Å; T230-H249 PolarHBondContact N-O 2.64Å; T230-H249 PolarHBondContact O-N 2.93Å; T247-H249 WeakPolarHBondContact CG2-CE1 3.37Å
250	F	94.3	Very high	93.6	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.6	173.3	-63.2	-80.9	0	0	0	109.7	V80 F83 Y93 M95 A185 C186 L188 V212 V214 L226 H229 V248 L252	V80-F250 HydrophobicContact CG2-CE1 4.26Å; V80-F250 HydrophobicContact CG2-CZ 4.25Å; F83-F250 HydrophobicContact CE2-CB 3.84Å; F83-F250 AromaticContact CE2-CD1 3.83Å; F83-F250 HydrophobicContact CE2-CD1 3.83Å; F83-F250 HydrophobicContact CE2-CD2 4.12Å; F83-F250 HydrophobicContact CE2-CE1 4.4Å; F83-F250 AromaticContact CE2-CG 3.66Å; F83-F250 HydrophobicContact CE2-CG 3.66Å; F83-F250 HydrophobicContact CZ-CB 4.1Å; F83-F250 HydrophobicContact CZ-CG 4.3Å; Y93-F250 HydrophobicContact CE2-CD2 4.11Å; M95-F250 HydrophobicContact SD-CE2 4.05Å; M95-F250 HydrophobicContact SD-CZ 4.32Å; A185-F250 CarbonylContact C-O 3.59Å; A185-F250 WeakPolarHBondContact CA-O 3.23Å; C186-F250 PolarHBondContact N-O 3.49Å; C186-F250 PolarHBondContact O-N 3.45Å; L188-F250 HydrophobicContact CB-CE2 4.05Å; L188-F250 HydrophobicContact CD2-CE2 4.5Å; V212-F250 HydrophobicContact CG1-CE1 4.43Å; V214-F250 HydrophobicContact CG2-CE1 4.35Å; L226-F250 HydrophobicContact CD1-CB 3.96Å; L226-F250 HydrophobicContact CD1-CD1 4.23Å; H229-F250 HydrophobicContact CB-CD1 3.86Å; H229-F250 HydrophobicContact CB-CE1 4.23Å; V248-F250 HydrophobicContact CB-CE2 4.25Å; V248-F250 HydrophobicContact CB-CZ 4.44Å; V248-F250 HydrophobicContact CG1-CD2 4.31Å; V248-F250 HydrophobicContact CG1-CE1 4.04Å; V248-F250 HydrophobicContact CG1-CE2 3.8Å; V248-F250 HydrophobicContact CG1-CZ 3.65Å; F250-L252 PolarHBondContact O-N 2.91Å
251	H	93.8	Very high	93.6	Very high	64 Å²	64	37.5 Å²	37.5	30%	0.296	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	101.2	-175.9	-62.4	-67.9	0	0	0	110	A185 I227 G228 T230	A185-H251 VanDerWaalsContact CB-CE1 3.45Å; A185-H251 WeakPolarHBondContact CB-CE1 3.33Å; I227-H251 PolarHBondContact N-O 2.92Å; G228-H251 PolarHBondContact O-N 2.84Å; T230-H251 WeakPolarHBondContact CA-NE2 3.21Å; T230-H251 WeakPolarHBondContact CB-NE2 3.43Å; T230-H251 WeakPolarHBondContact CG2-NE2 3.26Å; T230-H251 PolarHBondContact N-NE2 2.95Å; T230-H251 PolarHBondContact OG1-NE2 3.45Å
252	L	92.9	Very high	93.5	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	139.1	179.8	-59.3	177.6	0	0	0	110.2	F83 V86 G183 H184 L221 Y224 D225 L226 F250	F83-L252 HydrophobicContact CE1-CD1 4.13Å; F83-L252 HydrophobicContact CE1-CD2 4.14Å; F83-L252 HydrophobicContact CZ-CD1 4.18Å; F83-L252 HydrophobicContact CZ-CD2 4.05Å; V86-L252 HydrophobicContact CG2-CD1 3.92Å; G183-L252 CarbonylContact C-O 3.59Å; G183-L252 VanDerWaalsContact CA-O 3.31Å; G183-L252 WeakPolarHBondContact CA-O 3.35Å; H184-L252 PolarHBondContact N-O 3.26Å; H184-L252 PolarHBondContact O-N 3.38Å; L221-L252 HydrophobicContact CD1-CD2 3.78Å; Y224-L252 HydrophobicContact CD1-CB 3.85Å; Y224-L252 HydrophobicContact CE1-CB 4.37Å; Y224-L252 HydrophobicContact CG-CB 4.4Å; D225-L252 WeakPolarHBondContact O-CA 3.46Å; L226-L252 HydrophobicContact CB-CD2 4.2Å; L226-L252 HydrophobicContact CD1-CD2 3.77Å; F250-L252 PolarHBondContact O-N 2.91Å
253	K	91.6	Very high	93.3	Very high	56 Å²	56	37.9 Å²	37.9	24%	0.243	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	138.1	171.3	175.3	166.7	175.2	163.5	0	110.4	Y224 D225 I227 D545	Y224-K253 CarbonylContact C-O 3.45Å; Y224-K253 WeakPolarHBondContact CA-O 3.48Å; D225-K253 PolarHBondContact N-O 2.91Å; D225-K253 PolarHBondContact O-N 3.22Å; I227-K253 HydrophobicContact CD1-CB 4Å; I227-K253 HydrophobicContact CG1-CB 3.75Å; K253-D545 WeakPolarHBondContact CE-OD1 3.44Å; K253-D545 WeakPolarHBondContact CE-OD2 3.48Å; K253-D545 IonicContact NZ-OD1 3.87Å; K253-D545 PolarHBondContact NZ-OD1 3.46Å; K253-D545 IonicContact NZ-OD2 2.77Å; K253-D545 PolarHBondContact NZ-OD2 3.44Å
254	R	92.2	Very high	93.2	Very high	6 Å²	6	37.6 Å²	37.6	2%	0.023	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	151	-175.4	-161.9	-178.3	-55.9	-81.7	-1.1	113.3	D88 P180 D182 H184 Y224 M256 F259	D88-R254 IonicContact OD1-NH1 2.84Å; D88-R254 IonicContact OD1-NH2 2.69Å; D88-R254 IonicContact OD2-CZ 2.66Å; D88-R254 IonicContact OD2-NH1 2.64Å; D88-R254 PolarHBondContact OD2-NH1 2.92Å; D88-R254 IonicContact OD2-NH2 2.72Å; P180-R254 WeakPolarHBondContact O-CD 3.4Å; D182-R254 PolarHBondContact O-N 3Å; D182-R254 IonicContact OD1-CZ 2.85Å; D182-R254 IonicContact OD1-NE 2.76Å; D182-R254 PolarHBondContact OD1-NE 3.34Å; D182-R254 IonicContact OD1-NH2 2.73Å; D182-R254 PolarHBondContact OD1-NH2 2.74Å; D182-R254 IonicContact OD2-CZ 3.89Å; D182-R254 IonicContact OD2-NE 3.09Å; D182-R254 IonicContact OD2-NH2 3.92Å; D182-R254 PolarHBondContact OD2-NH2 2.68Å; H184-R254 PolarHBondContact NE2-NH2 2.63Å; Y224-R254 HydrophobicContact CD1-CB 4.24Å; Y224-R254 HydrophobicContact CE1-CB 4.19Å; Y224-R254 HydrophobicContact CE1-CG 4.5Å; Y224-R254 VanDerWaalsContact OH-CZ 3.31Å; Y224-R254 PolarHBondContact OH-NH1 3.43Å; Y224-R254 VanDerWaalsContact OH-NH1 3.13Å; Y224-R254 PolarHBondContact OH-NH2 3.39Å; R254-M256 VanDerWaalsContact O-CE 3.26Å; R254-M256 WeakPolarHBondContact O-CE 3.49Å; R254-F259 HydrophobicContact CG-CE2 4.27Å
255	K	91.3	Very high	93.2	Very high	65 Å²	65	40.7 Å²	40.7	28%	0.283	20%	0.202	S	C	.	.			trans	-89.5	112.9	173.7	-73	171.3	173.3	158.4	0	111.9	L221 V222 Q223 Y224 D225 G257	L221-K255 PolarHBondContact O-NZ 3.32Å; V222-K255 WeakPolarHBondContact O-CD 3.38Å; Q223-K255 PolarHBondContact O-N 3.38Å; Y224-K255 VanDerWaalsContact O-CE 3.23Å; Y224-K255 WeakPolarHBondContact O-CE 3.29Å; Y224-K255 PolarHBondContact O-NZ 3.47Å; D225-K255 WeakPolarHBondContact OD1-CE 3.48Å; D225-K255 IonicContact OD1-NZ 3.52Å; D225-K255 PolarHBondContact OD1-NZ 2.8Å; D225-K255 WeakPolarHBondContact OD2-CE 3.44Å; D225-K255 IonicContact OD2-NZ 3.65Å; K255-G257 PolarHBondContact O-N 3.13Å
256	M	90.4	Very high	93.1	Very high	43 Å²	43	42.4 Å²	42.4	21%	0.212	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-28	-176	-49.1	-49	156.2	0	0	114.4	P180 M181 R254 Y258 F259 M260	P180-M256 HydrophobicContact CB-SD 4.4Å; P180-M256 HydrophobicContact CG-SD 4.46Å; P180-M256 WeakPolarHBondContact O-CE 3.24Å; M181-M256 HydrophobicContact CB-CE 4.33Å; M181-M256 HydrophobicContact CB-SD 4.46Å; M181-M256 HydrophobicContact CG-CE 4.12Å; M181-M256 HydrophobicContact CG-SD 3.74Å; R254-M256 VanDerWaalsContact O-CE 3.26Å; R254-M256 WeakPolarHBondContact O-CE 3.49Å; M256-Y258 VanDerWaalsContact C-N 3.28Å; M256-Y258 PolarHBondContact O-N 3.4Å; M256-Y258 VanDerWaalsContact O-N 3.12Å; M256-F259 PolarHBondContact O-N 3.33Å; M256-M260 HydrophobicContact CB-CG 4.28Å; M256-M260 WeakPolarHBondContact O-CG 3.46Å; M256-M260 PolarHBondContact O-N 3.48Å
257	G	90.3	Very high	93.1	Very high	45 Å²	45	42.3 Å²	42.3	46%	0.464	21%	0.213	S	C	.	.	H	α-helix	trans	-56.3	-36.1	-165.2	0	0	0	0	0	115	K255 I261	K255-G257 PolarHBondContact O-N 3.13Å; G257-I261 WeakPolarHBondContact O-CG1 3.23Å; G257-I261 PolarHBondContact O-N 2.67Å
258	Y	91.6	Very high	93.1	Very high	116 Å²	116	44 Å²	44	46%	0.455	22%	0.221	S	C	.	.	H	α-helix	trans	-61.4	-52.6	174.8	173.5	-101.6	0	0	0	112	M256 M260 I261 Q262	M256-Y258 VanDerWaalsContact C-N 3.28Å; M256-Y258 PolarHBondContact O-N 3.4Å; M256-Y258 VanDerWaalsContact O-N 3.12Å; Y258-M260 VanDerWaalsContact C-N 3.34Å; Y258-M260 PolarHBondContact O-N 3.42Å; Y258-I261 PolarHBondContact O-N 2.81Å; Y258-Q262 HydrophobicContact CD2-CG 4.3Å; Y258-Q262 HydrophobicContact CE2-CG 4.01Å; Y258-Q262 PolarHBondContact O-N 2.81Å; Y258-Q262 PolarHBondContact OH-OE1 2.9Å
259	F	92.3	Very high	93	Very high	21 Å²	21	48.7 Å²	48.7	9%	0.092	24%	0.244	C	C	.	.	H	α-helix	trans	-67.6	-33.5	-179	-58	-77.8	0	0	0	112.5	F179 P180 R254 M256 I261 T263 Y264 M319	F179-F259 HydrophobicContact CE1-CD1 4.35Å; F179-F259 AromaticContact CE1-CE1 3.96Å; F179-F259 HydrophobicContact CE1-CE1 3.96Å; F179-F259 HydrophobicContact CE1-CZ 4.38Å; F179-F259 HydrophobicContact CE2-CZ 4.21Å; F179-F259 HydrophobicContact CZ-CD1 4.31Å; F179-F259 AromaticContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE1 3.51Å; F179-F259 HydrophobicContact CZ-CE2 4.43Å; F179-F259 AromaticContact CZ-CZ 3.58Å; F179-F259 HydrophobicContact CZ-CZ 3.58Å; P180-F259 HydrophobicContact CB-CB 4.35Å; P180-F259 HydrophobicContact CB-CD1 4.4Å; P180-F259 HydrophobicContact CB-CD2 3.59Å; P180-F259 HydrophobicContact CB-CE2 3.97Å; P180-F259 HydrophobicContact CB-CG 3.84Å; P180-F259 HydrophobicContact CG-CB 3.96Å; P180-F259 HydrophobicContact CG-CD2 4.14Å; P180-F259 HydrophobicContact CG-CG 3.99Å; R254-F259 HydrophobicContact CG-CE2 4.27Å; M256-F259 PolarHBondContact O-N 3.33Å; F259-I261 PolarHBondContact O-N 3.04Å; F259-T263 WeakPolarHBondContact O-CA 3.42Å; F259-T263 WeakPolarHBondContact O-CB 3.43Å; F259-T263 PolarHBondContact O-N 3.43Å; F259-Y264 HydrophobicContact CB-CD2 4.4Å; F259-Y264 HydrophobicContact CB-CE2 4.28Å; F259-Y264 WeakPolarHBondContact O-CD2 3.36Å; F259-Y264 PolarHBondContact O-N 3.41Å; F259-M319 HydrophobicContact CD1-CE 3.93Å
260	M	91.9	Very high	93	Very high	66 Å²	66	47 Å²	47	33%	0.325	24%	0.237	S	C	.	.	I	π-helix	trans	-58	-48.2	173.7	-69.2	-60.9	-74.3	0	0	111.5	M256 Y258 Y264 I265 W538	M256-M260 HydrophobicContact CB-CG 4.28Å; M256-M260 WeakPolarHBondContact O-CG 3.46Å; M256-M260 PolarHBondContact O-N 3.48Å; Y258-M260 VanDerWaalsContact C-N 3.34Å; Y258-M260 PolarHBondContact O-N 3.42Å; M260-Y264 HydrophobicContact SD-CD2 3.98Å; M260-Y264 HydrophobicContact SD-CG 4.29Å; M260-I265 WeakPolarHBondContact O-CB 3.45Å; M260-I265 VanDerWaalsContact O-CG1 3.32Å; M260-I265 WeakPolarHBondContact O-CG1 3.36Å; M260-I265 PolarHBondContact O-N 3.04Å; M260-W538 HydrophobicContact CE-CH2 3.98Å; M260-W538 HydrophobicContact CE-CZ2 4.2Å; M260-W538 HydrophobicContact CE-CZ3 4.5Å; M260-W538 HydrophobicContact SD-CH2 3.4Å; M260-W538 WeakPolarHBondContact SD-CH2 3.16Å; M260-W538 HydrophobicContact SD-CZ2 4.11Å; M260-W538 HydrophobicContact SD-CZ3 3.95Å
261	I	92.9	Very high	93.1	Very high	120 Å²	120	47 Å²	47	62%	0.615	24%	0.237	S	C	*	.	I	π-helix	trans	-78.8	-40.2	-176	-63.4	171.6	0	0	0	111.9	G257 Y258 F259 P266	G257-I261 WeakPolarHBondContact O-CG1 3.23Å; G257-I261 PolarHBondContact O-N 2.67Å; Y258-I261 PolarHBondContact O-N 2.81Å; F259-I261 PolarHBondContact O-N 3.04Å; I261-P266 WeakPolarHBondContact O-CD 3.38Å; I261-P266 WeakPolarHBondContact O-CG 3.35Å
262	Q	90.8	Very high	93.1	Very high	107 Å²	107	47.6 Å²	47.6	50%	0.5	24%	0.242	S	C	.	.	I	π-helix	trans	-91.2	-19.4	-174.3	-60.9	-155.2	-2.8	0	0	115	Y258	Y258-Q262 HydrophobicContact CD2-CG 4.3Å; Y258-Q262 HydrophobicContact CE2-CG 4.01Å; Y258-Q262 PolarHBondContact O-N 2.81Å; Y258-Q262 PolarHBondContact OH-OE1 2.9Å
263	T	92.6	Very high	93.1	Very high	10 Å²	10	51.8 Å²	51.8	6%	0.061	26%	0.264	C	S	.	.	I	π-helix	trans	-122	-63.3	179.1	-49.1	0	0	0	0	112.5	F259 I265 P266 C267 A306 M319 I323	F259-T263 WeakPolarHBondContact O-CA 3.42Å; F259-T263 WeakPolarHBondContact O-CB 3.43Å; F259-T263 PolarHBondContact O-N 3.43Å; T263-I265 PolarHBondContact O-N 2.64Å; T263-P266 WeakPolarHBondContact O-CD 2.72Å; T263-C267 WeakPolarHBondContact O-CB 3.38Å; T263-C267 PolarHBondContact O-N 3.08Å; T263-C267 PolarHBondContact O-SG 2.84Å; T263-A306 HydrophobicContact CG2-CB 4.39Å; T263-M319 HydrophobicContact CG2-CE 3.7Å; T263-M319 VanDerWaalsContact OG1-CE 3.25Å; T263-M319 WeakPolarHBondContact OG1-CE 3.37Å; T263-I323 HydrophobicContact CG2-CD1 4.07Å; T263-I323 HydrophobicContact CG2-CG1 4.38Å
264	Y	94.1	Very high	93.2	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.012	25%	0.253	C	S	.	.	I	π-helix	trans	-63.6	-48.1	-167.7	-71.6	-83.1	0	0	0	112.4	P180 F259 M260 C267 I268 F322 Y537 W538	P180-Y264 VanDerWaalsContact CD-OH 3.3Å; P180-Y264 WeakPolarHBondContact CD-OH 3.46Å; P180-Y264 HydrophobicContact CG-CE2 4.02Å; F259-Y264 HydrophobicContact CB-CD2 4.4Å; F259-Y264 HydrophobicContact CB-CE2 4.28Å; F259-Y264 WeakPolarHBondContact O-CD2 3.36Å; F259-Y264 PolarHBondContact O-N 3.41Å; M260-Y264 HydrophobicContact SD-CD2 3.98Å; M260-Y264 HydrophobicContact SD-CG 4.29Å; Y264-C267 PolarHBondContact O-N 1.95Å; Y264-I268 WeakPolarHBondContact O-CB 3.38Å; Y264-I268 WeakPolarHBondContact O-CD1 2.9Å; Y264-I268 WeakPolarHBondContact O-CG1 2.91Å; Y264-I268 PolarHBondContact O-N 2.97Å; Y264-F322 AromaticContact CD1-CD1 3.59Å; Y264-F322 HydrophobicContact CD1-CD1 3.59Å; Y264-F322 HydrophobicContact CD1-CD2 4.1Å; Y264-F322 AromaticContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE2 4.05Å; Y264-F322 AromaticContact CD1-CG 3.88Å; Y264-F322 HydrophobicContact CD1-CG 3.88Å; Y264-F322 AromaticContact CD1-CZ 3.79Å; Y264-F322 HydrophobicContact CD1-CZ 3.79Å; Y264-F322 HydrophobicContact CE1-CB 4.04Å; Y264-F322 AromaticContact CE1-CD1 3.72Å; Y264-F322 HydrophobicContact CE1-CD1 3.72Å; Y264-F322 AromaticContact CE1-CD2 3.91Å; Y264-F322 HydrophobicContact CE1-CD2 3.91Å; Y264-F322 HydrophobicContact CE1-CE1 4.14Å; Y264-F322 HydrophobicContact CE1-CE2 4.3Å; Y264-F322 AromaticContact CE1-CG 3.6Å; Y264-F322 HydrophobicContact CE1-CG 3.6Å; Y264-F322 HydrophobicContact CE1-CZ 4.42Å; Y264-F322 HydrophobicContact CG-CE1 4.49Å; Y264-Y537 AromaticContact CE1-CE1 3.68Å; Y264-Y537 HydrophobicContact CE1-CE1 3.68Å; Y264-Y537 AromaticContact CE1-CZ 3.92Å; Y264-Y537 PolarHBondContact OH-OH 3.36Å; Y264-W538 AromaticContact CD1-CH2 3.55Å; Y264-W538 HydrophobicContact CD1-CH2 3.55Å; Y264-W538 AromaticContact CD1-CZ2 3.46Å; Y264-W538 HydrophobicContact CD1-CZ2 3.46Å; Y264-W538 VanDerWaalsContact CD1-CZ2 3.46Å; Y264-W538 AromaticContact CD2-CH2 3.97Å; Y264-W538 HydrophobicContact CD2-CH2 3.97Å; Y264-W538 AromaticContact CE1-CH2 3.65Å; Y264-W538 HydrophobicContact CE1-CH2 3.65Å; Y264-W538 AromaticContact CE1-CZ2 3.9Å; Y264-W538 HydrophobicContact CE1-CZ2 3.9Å; Y264-W538 HydrophobicContact CE2-CH2 4.08Å; Y264-W538 AromaticContact CG-CH2 3.71Å; Y264-W538 HydrophobicContact CG-CH2 3.71Å; Y264-W538 AromaticContact CG-CZ2 3.83Å; Y264-W538 HydrophobicContact CG-CZ2 3.83Å; Y264-W538 AromaticContact CZ-CH2 3.92Å
265	I	94.7	Very high	93.1	Very high	82 Å²	82	49.8 Å²	49.8	42%	0.421	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-51	178.1	-70.5	168.3	0	0	0	111.5	M260 T263 C267 I268 M269	M260-I265 WeakPolarHBondContact O-CB 3.45Å; M260-I265 VanDerWaalsContact O-CG1 3.32Å; M260-I265 WeakPolarHBondContact O-CG1 3.36Å; M260-I265 PolarHBondContact O-N 3.04Å; T263-I265 PolarHBondContact O-N 2.64Å; I265-C267 PolarHBondContact O-N 2.85Å; I265-I268 PolarHBondContact O-N 2.86Å; I265-M269 HydrophobicContact CG2-CG 4.33Å; I265-M269 WeakPolarHBondContact O-CB 3.14Å; I265-M269 VanDerWaalsContact O-CG 3.28Å; I265-M269 WeakPolarHBondContact O-CG 3.41Å; I265-M269 PolarHBondContact O-N 2.84Å
266	P	95.8	Very high	93	Very high	37 Å²	37	49.8 Å²	49.8	24%	0.24	26%	0.261	C	S	.	.	H	α-helix	trans	-56.8	-40.3	174.1	-30.7	37.2	0	0	0	114.9	I261 T263 T270 L302	I261-P266 WeakPolarHBondContact O-CD 3.38Å; I261-P266 WeakPolarHBondContact O-CG 3.35Å; T263-P266 WeakPolarHBondContact O-CD 2.72Å; P266-T270 WeakPolarHBondContact O-CB 3.39Å; P266-T270 PolarHBondContact O-N 2.92Å; P266-T270 PolarHBondContact O-OG1 3.3Å; P266-L302 HydrophobicContact CB-CD1 3.87Å; P266-L302 HydrophobicContact CB-CD2 3.83Å
267	C	95.5	Very high	92.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-66.1	-46	176.2	-70.6	0	0	0	0	111.8	T263 Y264 I265 M269 T270 V271 M299 F322	T263-C267 WeakPolarHBondContact O-CB 3.38Å; T263-C267 PolarHBondContact O-N 3.08Å; T263-C267 PolarHBondContact O-SG 2.84Å; Y264-C267 PolarHBondContact O-N 1.95Å; I265-C267 PolarHBondContact O-N 2.85Å; C267-M269 VanDerWaalsContact C-N 3.35Å; C267-M269 PolarHBondContact O-N 2.87Å; C267-T270 PolarHBondContact O-N 2.94Å; C267-V271 WeakPolarHBondContact O-CG2 3.35Å; C267-V271 PolarHBondContact O-N 2.92Å; C267-M299 HydrophobicContact CB-CE 4.09Å; C267-M299 HydrophobicContact CB-SD 4.37Å; C267-M299 VanDerWaalsContact SG-CE 3.54Å; C267-F322 HydrophobicContact CB-CE1 4.01Å
268	I	95.4	Very high	92.9	Very high	34 Å²	34	45.9 Å²	45.9	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-46.7	175.5	-72.3	165.8	0	0	0	110.6	Y264 I265 T270 V271 I272 F322 F530	Y264-I268 WeakPolarHBondContact O-CB 3.38Å; Y264-I268 WeakPolarHBondContact O-CD1 2.9Å; Y264-I268 WeakPolarHBondContact O-CG1 2.91Å; Y264-I268 PolarHBondContact O-N 2.97Å; I265-I268 PolarHBondContact O-N 2.86Å; I268-T270 PolarHBondContact O-N 2.76Å; I268-V271 PolarHBondContact O-N 3.45Å; I268-I272 HydrophobicContact CG2-CD1 3.81Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.35Å; I268-I272 PolarHBondContact O-N 2.57Å; I268-F322 HydrophobicContact CD1-CZ 4.15Å; I268-F322 HydrophobicContact CG1-CE1 4.43Å; I268-F322 HydrophobicContact CG1-CZ 3.85Å; I268-F530 HydrophobicContact CG1-CE1 4.45Å; I268-F530 HydrophobicContact CG1-CZ 4.1Å; I268-F530 HydrophobicContact CG2-CE1 4.27Å
269	M	94.3	Very high	92.7	Very high	100 Å²	100	48.3 Å²	48.3	49%	0.493	24%	0.239	S	C	.	.	H	α-helix	trans	-65.5	-36.9	178	-66.5	-62.1	156.1	0	0	112.2	I265 C267 I272 L273	I265-M269 HydrophobicContact CG2-CG 4.33Å; I265-M269 WeakPolarHBondContact O-CB 3.14Å; I265-M269 VanDerWaalsContact O-CG 3.28Å; I265-M269 WeakPolarHBondContact O-CG 3.41Å; I265-M269 PolarHBondContact O-N 2.84Å; C267-M269 VanDerWaalsContact C-N 3.35Å; C267-M269 PolarHBondContact O-N 2.87Å; M269-I272 PolarHBondContact O-N 3.13Å; M269-I272 HydrophobicContact SD-CD1 4.27Å; M269-L273 WeakPolarHBondContact O-CB 3.44Å; M269-L273 VanDerWaalsContact O-CG 3.24Å; M269-L273 WeakPolarHBondContact O-CG 3.47Å; M269-L273 PolarHBondContact O-N 3.37Å
270	T	95	Very high	92.5	Very high	9 Å²	9	49 Å²	49	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-40.5	175.6	-56.5	0	0	0	0	111.8	P266 C267 I268 L273 S274 T295 T298 M299 V330	P266-T270 WeakPolarHBondContact O-CB 3.39Å; P266-T270 PolarHBondContact O-N 2.92Å; P266-T270 PolarHBondContact O-OG1 3.3Å; C267-T270 PolarHBondContact O-N 2.94Å; I268-T270 PolarHBondContact O-N 2.76Å; T270-L273 PolarHBondContact O-N 2.79Å; T270-S274 PolarHBondContact O-N 2.94Å; T270-T295 HydrophobicContact CG2-CG2 4.43Å; T270-T298 HydrophobicContact CG2-CG2 4.05Å; T270-M299 HydrophobicContact CG2-CB 4.28Å; T270-M299 HydrophobicContact CG2-SD 4.48Å; T270-V330 HydrophobicContact CG2-CG2 4.44Å
271	V	95.8	Very high	92.2	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-67.5	-37.5	174.5	174.3	0	0	0	0	111.9	C267 I268 S274 Q275 C326 F329 V330 F530	C267-V271 WeakPolarHBondContact O-CG2 3.35Å; C267-V271 PolarHBondContact O-N 2.92Å; I268-V271 PolarHBondContact O-N 3.45Å; V271-S274 PolarHBondContact O-OG 3.06Å; V271-Q275 WeakPolarHBondContact O-CG 3.23Å; V271-Q275 PolarHBondContact O-N 2.89Å; V271-Q275 PolarHBondContact O-NE2 3.12Å; V271-C326 HydrophobicContact CG2-CB 3.67Å; V271-F329 HydrophobicContact CG1-CB 3.98Å; V271-F329 HydrophobicContact CG1-CG 4.49Å; V271-V330 HydrophobicContact CG2-CG2 3.95Å; V271-F530 HydrophobicContact CB-CD1 4.48Å; V271-F530 HydrophobicContact CB-CE1 3.94Å; V271-F530 HydrophobicContact CB-CE2 4.17Å; V271-F530 HydrophobicContact CB-CZ 3.77Å; V271-F530 HydrophobicContact CG1-CD1 3.73Å; V271-F530 HydrophobicContact CG1-CD2 3.81Å; V271-F530 HydrophobicContact CG1-CE1 3.69Å; V271-F530 HydrophobicContact CG1-CE2 3.78Å; V271-F530 HydrophobicContact CG1-CG 3.78Å; V271-F530 HydrophobicContact CG1-CZ 3.72Å; V271-F530 HydrophobicContact CG2-CE2 4.1Å; V271-F530 HydrophobicContact CG2-CZ 4.01Å
272	I	93.7	Very high	91.7	Very high	77 Å²	77	47.2 Å²	47.2	40%	0.395	24%	0.235	S	C	.	.	H	α-helix	trans	-66	-43.9	174.1	-68.2	165.7	0	0	0	110.3	I268 M269 S274 Q275 V276	I268-I272 HydrophobicContact CG2-CD1 3.81Å; I268-I272 VanDerWaalsContact O-CG1 3.31Å; I268-I272 WeakPolarHBondContact O-CG1 3.35Å; I268-I272 PolarHBondContact O-N 2.57Å; M269-I272 PolarHBondContact O-N 3.13Å; M269-I272 HydrophobicContact SD-CD1 4.27Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.77Å; I272-Q275 WeakPolarHBondContact O-CB 3.2Å; I272-Q275 PolarHBondContact O-N 3.42Å; I272-Q275 VanDerWaalsContact O-N 3.08Å; I272-V276 PolarHBondContact O-N 2.92Å
273	L	92.3	Very high	91.3	Very high	90 Å²	90	48.4 Å²	48.4	47%	0.471	24%	0.24	S	C	.	.	H	α-helix	trans	-61.6	-37.2	177.8	-74.7	169	0	0	0	112.7	M269 T270 Q275 V276 T295	M269-L273 WeakPolarHBondContact O-CB 3.44Å; M269-L273 VanDerWaalsContact O-CG 3.24Å; M269-L273 WeakPolarHBondContact O-CG 3.47Å; M269-L273 PolarHBondContact O-N 3.37Å; T270-L273 PolarHBondContact O-N 2.79Å; L273-Q275 VanDerWaalsContact C-N 3.25Å; L273-Q275 PolarHBondContact O-N 3.28Å; L273-V276 WeakPolarHBondContact O-CB 3.41Å; L273-V276 PolarHBondContact O-N 2.74Å; L273-T295 HydrophobicContact CB-CG2 4.27Å
274	S	93.6	Very high	91.1	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-30.2	175.3	72.8	0	0	0	0	112.3	T270 V271 I272 S277	T270-S274 PolarHBondContact O-N 2.94Å; V271-S274 PolarHBondContact O-OG 3.06Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-S274 PolarHBondContact O-N 2.77Å; S274-S277 WeakPolarHBondContact O-CB 3.43Å; S274-S277 PolarHBondContact O-N 2.73Å; S274-S277 PolarHBondContact O-OG 3.01Å
275	Q	91	Very high	90.8	Very high	18 Å²	18	52.2 Å²	52.2	8%	0.084	27%	0.266	C	S	.	.	H	α-helix	trans	-75.3	-20.4	176.8	-61.8	170.3	28.2	0	0	113.4	V271 I272 L273 S277 F278 F526 P527	V271-Q275 WeakPolarHBondContact O-CG 3.23Å; V271-Q275 PolarHBondContact O-N 2.89Å; V271-Q275 PolarHBondContact O-NE2 3.12Å; I272-Q275 WeakPolarHBondContact O-CB 3.2Å; I272-Q275 PolarHBondContact O-N 3.42Å; I272-Q275 VanDerWaalsContact O-N 3.08Å; L273-Q275 VanDerWaalsContact C-N 3.25Å; L273-Q275 PolarHBondContact O-N 3.28Å; Q275-S277 PolarHBondContact O-N 3.3Å; Q275-F278 HydrophobicContact CB-CD2 4.15Å; Q275-F278 HydrophobicContact CB-CE2 3.99Å; Q275-F278 HydrophobicContact CG-CE2 3.96Å; Q275-F278 VanDerWaalsContact O-CD2 3.28Å; Q275-F278 WeakPolarHBondContact O-CD2 3.28Å; Q275-F278 PolarHBondContact O-N 3.03Å; Q275-F526 HydrophobicContact CG-CB 4.08Å; Q275-P527 VanDerWaalsContact OE1-CG 3.31Å
276	V	90	Very high	90.6	Very high	66 Å²	66	53 Å²	53	40%	0.4	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-28.6	172.2	-179.3	0	0	0	0	111	I272 L273 F278 W279	I272-V276 PolarHBondContact O-N 2.92Å; L273-V276 WeakPolarHBondContact O-CB 3.41Å; L273-V276 PolarHBondContact O-N 2.74Å; V276-F278 PolarHBondContact O-N 3.49Å; V276-F278 VanDerWaalsContact O-N 3.16Å; V276-W279 WeakPolarHBondContact O-CB 3.47Å; V276-W279 PolarHBondContact O-N 3.35Å
277	S	88.2	Confident	90.3	Very high	4 Å²	4	53 Å²	53	3%	0.028	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-58.1	-29.1	177.7	72.1	0	0	0	0	114	S274 Q275 W279 I280	S274-S277 WeakPolarHBondContact O-CB 3.43Å; S274-S277 PolarHBondContact O-N 2.73Å; S274-S277 PolarHBondContact O-OG 3.01Å; Q275-S277 PolarHBondContact O-N 3.3Å; S277-W279 PolarHBondContact O-N 3.04Å; S277-I280 WeakPolarHBondContact O-CB 3.46Å; S277-I280 PolarHBondContact O-N 3.03Å; S277-I280 VanDerWaalsContact O-N 3.15Å
278	F	88.9	Confident	90.1	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-68.4	-16.2	176.6	-49.6	-37.6	0	0	0	113.3	Q275 V276 A333 E336 A522 R523 F526	Q275-F278 HydrophobicContact CB-CD2 4.15Å; Q275-F278 HydrophobicContact CB-CE2 3.99Å; Q275-F278 HydrophobicContact CG-CE2 3.96Å; Q275-F278 VanDerWaalsContact O-CD2 3.28Å; Q275-F278 WeakPolarHBondContact O-CD2 3.28Å; Q275-F278 PolarHBondContact O-N 3.03Å; V276-F278 PolarHBondContact O-N 3.49Å; V276-F278 VanDerWaalsContact O-N 3.16Å; F278-A333 HydrophobicContact CE1-CB 4.04Å; F278-A333 HydrophobicContact CZ-CB 3.89Å; F278-E336 HydrophobicContact CD1-CG 4.15Å; F278-E336 WeakPolarHBondContact CD1-OE2 3.31Å; F278-E336 HydrophobicContact CE1-CB 3.96Å; F278-E336 HydrophobicContact CE1-CG 3.69Å; F278-E336 WeakPolarHBondContact CE1-OE2 3.24Å; F278-E336 HydrophobicContact CZ-CG 4.46Å; F278-A522 HydrophobicContact CD1-CB 4.12Å; F278-A522 HydrophobicContact CD2-CB 3.97Å; F278-A522 HydrophobicContact CE1-CB 4.22Å; F278-A522 HydrophobicContact CE2-CB 4.05Å; F278-A522 HydrophobicContact CG-CB 4.01Å; F278-A522 HydrophobicContact CZ-CB 4.18Å; F278-R523 HydrophobicContact CB-CG 3.83Å; F278-R523 PolarHBondContact O-NE 3.23Å; F278-R523 PolarHBondContact O-NH2 3.2Å; F278-F526 HydrophobicContact CE2-CB 3.83Å; F278-F526 AromaticContact CE2-CD1 4Å; F278-F526 HydrophobicContact CE2-CD1 4Å; F278-F526 AromaticContact CE2-CD2 3.88Å; F278-F526 HydrophobicContact CE2-CD2 3.88Å; F278-F526 HydrophobicContact CE2-CE1 4.49Å; F278-F526 HydrophobicContact CE2-CE2 4.4Å; F278-F526 AromaticContact CE2-CG 3.66Å; F278-F526 HydrophobicContact CE2-CG 3.66Å; F278-F526 AromaticContact CZ-CD1 3.85Å; F278-F526 HydrophobicContact CZ-CD1 3.85Å; F278-F526 AromaticContact CZ-CD2 3.93Å; F278-F526 HydrophobicContact CZ-CD2 3.93Å; F278-F526 AromaticContact CZ-CE1 3.89Å; F278-F526 HydrophobicContact CZ-CE1 3.89Å; F278-F526 AromaticContact CZ-CE2 3.99Å; F278-F526 HydrophobicContact CZ-CE2 3.99Å; F278-F526 AromaticContact CZ-CG 3.86Å; F278-F526 HydrophobicContact CZ-CG 3.86Å; F278-F526 AromaticContact CZ-CZ 3.96Å; F278-F526 HydrophobicContact CZ-CZ 3.96Å
279	W	88	Confident	89.9	Confident	167 Å²	167	53.7 Å²	53.7	63%	0.633	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-89.2	-17.2	176	-64.7	83.6	0	0	0	112.8	V276 S277 R523	V276-W279 WeakPolarHBondContact O-CB 3.47Å; V276-W279 PolarHBondContact O-N 3.35Å; S277-W279 PolarHBondContact O-N 3.04Å; W279-R523 HydrophobicContact CZ2-CG 4.34Å
280	I	88.3	Confident	89.8	Confident	35 Å²	35	53.2 Å²	53.2	18%	0.179	29%	0.288	C	S	.	.	S	Bend	trans	-75.6	135.6	177.1	-56.7	177.8	0	0	0	109.9	S277 K282 A287 R288 F291	S277-I280 WeakPolarHBondContact O-CB 3.46Å; S277-I280 PolarHBondContact O-N 3.03Å; S277-I280 VanDerWaalsContact O-N 3.15Å; I280-K282 PolarHBondContact O-N 2.96Å; I280-A287 HydrophobicContact CG2-CB 4.39Å; I280-R288 HydrophobicContact CB-CG 3.97Å; I280-R288 HydrophobicContact CG2-CG 3.98Å; I280-R288 PolarHBondContact O-NH1 3.02Å; I280-F291 HydrophobicContact CD1-CD2 3.68Å; I280-F291 HydrophobicContact CD1-CE2 3.89Å; I280-F291 HydrophobicContact CD1-CG 4.45Å
281	N	85.9	Confident	89.6	Confident	113 Å²	113	57.1 Å²	57.1	60%	0.604	30%	0.304	S	S	*	.			trans	-52.9	131.9	176.7	-68.6	-23.8	0	0	0	111.2	E283 S284	N281-E283 PolarHBondContact O-N 3.42Å; N281-S284 WeakPolarHBondContact O-CB 3.34Å; N281-S284 PolarHBondContact O-N 2.86Å
282	K	81.7	Confident	89.4	Confident	37 Å²	37	57.4 Å²	57.4	16%	0.161	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55	-26.9	-179.7	69.6	-165.5	176.9	-163.8	0	114.2	I280 S284 V285 V340 T344 M512 G514	I280-K282 PolarHBondContact O-N 2.96Å; K282-S284 VanDerWaalsContact C-N 3.3Å; K282-V285 WeakPolarHBondContact O-CG2 2.94Å; K282-V340 HydrophobicContact CB-CG1 3.99Å; K282-T344 HydrophobicContact CD-CG2 4.45Å; K282-M512 WeakPolarHBondContact CE-O 3.15Å; K282-M512 PolarHBondContact NZ-O 3.38Å; K282-G514 PolarHBondContact NZ-O 3.05Å
283	E	82.1	Confident	89.4	Confident	131 Å²	131	58.5 Å²	58.5	61%	0.612	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-24.8	178	-69.1	158.8	-151.2	0	0	112.3	N281 V285	N281-E283 PolarHBondContact O-N 3.42Å; E283-V285 PolarHBondContact O-N 2.78Å
284	S	88.1	Confident	89.5	Confident	49 Å²	49	57.6 Å²	57.6	34%	0.343	31%	0.311	S	S	.	.			trans	-81.1	51.7	176.9	-51.2	0	0	0	0	111.9	N281 K282 P286 A287 R288	N281-S284 WeakPolarHBondContact O-CB 3.34Å; N281-S284 PolarHBondContact O-N 2.86Å; K282-S284 VanDerWaalsContact C-N 3.3Å; S284-P286 VanDerWaalsContact C-CD 3.44Å; S284-P286 VanDerWaalsContact C-N 3.35Å; S284-A287 WeakPolarHBondContact O-CB 3.47Å; S284-A287 PolarHBondContact O-N 2.95Å; S284-R288 PolarHBondContact O-N 2.91Å
285	V	88.1	Confident	89.6	Confident	45 Å²	45	58 Å²	58	27%	0.273	31%	0.313	S	S	.	.	H	α-helix	trans	-49.7	-43.7	-177.6	-176.1	0	0	0	0	113.1	K282 E283 A287 T289 F337	K282-V285 WeakPolarHBondContact O-CG2 2.94Å; E283-V285 PolarHBondContact O-N 2.78Å; V285-A287 PolarHBondContact O-N 2.81Å; V285-T289 WeakPolarHBondContact O-CB 3.42Å; V285-T289 PolarHBondContact O-N 2.85Å; V285-T289 PolarHBondContact O-OG1 2.88Å; V285-F337 HydrophobicContact CG1-CE2 4.11Å; V285-F337 HydrophobicContact CG1-CZ 3.78Å
286	P	91.1	Very high	89.8	Confident	97 Å²	97	58.4 Å²	58.4	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-62.2	-40.1	177.4	-23	35.2	0	0	0	113	S284 T289 V290	S284-P286 VanDerWaalsContact C-CD 3.44Å; S284-P286 VanDerWaalsContact C-N 3.35Å; P286-T289 PolarHBondContact O-N 2.83Å; P286-V290 WeakPolarHBondContact O-CG2 3.29Å; P286-V290 PolarHBondContact O-N 3.25Å
287	A	90.1	Very high	90	Very high	39 Å²	39	60.3 Å²	60.3	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-49.3	-179.5	0	0	0	0	0	111.5	I280 S284 V285 T289 V290 F291	I280-A287 HydrophobicContact CG2-CB 4.39Å; S284-A287 WeakPolarHBondContact O-CB 3.47Å; S284-A287 PolarHBondContact O-N 2.95Å; V285-A287 PolarHBondContact O-N 2.81Å; A287-T289 VanDerWaalsContact C-N 3.29Å; A287-T289 PolarHBondContact O-N 2.86Å; A287-V290 PolarHBondContact O-N 3.48Å; A287-F291 WeakPolarHBondContact O-CD2 2.88Å; A287-F291 PolarHBondContact O-N 3.47Å
288	R	90.8	Very high	90.4	Very high	2 Å²	2	62.9 Å²	62.9	1%	0.008	34%	0.34	C	S	.	.	H	α-helix	trans	-61.3	-37.9	176.4	-72.7	178.5	77	150	-8.4	112	I280 S284 G292 E336 F337 D519	I280-R288 HydrophobicContact CB-CG 3.97Å; I280-R288 HydrophobicContact CG2-CG 3.98Å; I280-R288 PolarHBondContact O-NH1 3.02Å; S284-R288 PolarHBondContact O-N 2.91Å; R288-G292 PolarHBondContact O-N 3.36Å; R288-E336 IonicContact CZ-OE2 2.69Å; R288-E336 IonicContact NH2-OE1 2.74Å; R288-E336 PolarHBondContact NH2-OE1 2.8Å; R288-E336 IonicContact NH2-OE2 3.8Å; R288-E336 PolarHBondContact NH2-OE2 2.87Å; R288-F337 HydrophobicContact CB-CD2 3.52Å; R288-F337 HydrophobicContact CB-CE2 3.62Å; R288-F337 HydrophobicContact CB-CG 4.05Å; R288-F337 HydrophobicContact CB-CZ 4.24Å; R288-F337 HydrophobicContact CG-CD2 4.35Å; R288-D519 IonicContact CZ-OD1 3.37Å; R288-D519 VanDerWaalsContact CZ-OD1 3.23Å; R288-D519 IonicContact NH1-OD1 3.48Å; R288-D519 PolarHBondContact NH1-OD1 3.49Å; R288-D519 IonicContact NH1-OD2 3.02Å; R288-D519 IonicContact NH2-OD1 3.79Å; R288-D519 PolarHBondContact NH2-OD1 2.89Å
289	T	91	Very high	90.6	Very high	45 Å²	45	62.8 Å²	62.8	28%	0.276	34%	0.339	S	S	.	.	H	α-helix	trans	-60.3	-51.3	175.3	-53	0	0	0	0	111.7	V285 P286 A287 G292 I293 F337	V285-T289 WeakPolarHBondContact O-CB 3.42Å; V285-T289 PolarHBondContact O-N 2.85Å; V285-T289 PolarHBondContact O-OG1 2.88Å; P286-T289 PolarHBondContact O-N 2.83Å; A287-T289 VanDerWaalsContact C-N 3.29Å; A287-T289 PolarHBondContact O-N 2.86Å; T289-G292 PolarHBondContact O-N 3.1Å; T289-I293 HydrophobicContact CG2-CD1 3.77Å; T289-I293 WeakPolarHBondContact O-CG1 3.39Å; T289-I293 PolarHBondContact O-N 2.87Å; T289-F337 VanDerWaalsContact OG1-CE1 3.27Å; T289-F337 WeakPolarHBondContact OG1-CE1 3.44Å; T289-F337 WeakPolarHBondContact OG1-CZ 3.3Å
290	V	92.8	Very high	91	Very high	91 Å²	91	57.3 Å²	57.3	55%	0.552	32%	0.324	S	S	*	.	H	α-helix	trans	-63.7	-48.4	-179.4	172.2	0	0	0	0	111	P286 A287 G292 I293 T294	P286-V290 WeakPolarHBondContact O-CG2 3.29Å; P286-V290 PolarHBondContact O-N 3.25Å; A287-V290 PolarHBondContact O-N 3.48Å; V290-G292 VanDerWaalsContact C-N 3.32Å; V290-G292 PolarHBondContact O-N 3.18Å; V290-I293 PolarHBondContact O-N 2.87Å; V290-T294 VanDerWaalsContact O-CB 3.29Å; V290-T294 WeakPolarHBondContact O-CB 3.49Å; V290-T294 PolarHBondContact O-N 2.98Å; V290-T294 PolarHBondContact O-OG1 2.89Å; V290-T294 VanDerWaalsContact O-OG1 3.05Å
291	F	90.3	Very high	91.3	Very high	91 Å²	91	59.7 Å²	59.7	40%	0.399	34%	0.34	S	S	.	.	H	α-helix	trans	-56.7	-43.1	177.6	-90.8	-75.5	0	0	0	112.8	I280 A287 T295	I280-F291 HydrophobicContact CD1-CD2 3.68Å; I280-F291 HydrophobicContact CD1-CE2 3.89Å; I280-F291 HydrophobicContact CD1-CG 4.45Å; A287-F291 WeakPolarHBondContact O-CD2 2.88Å; A287-F291 PolarHBondContact O-N 3.47Å; F291-T295 WeakPolarHBondContact O-CB 3.31Å; F291-T295 WeakPolarHBondContact O-CG2 3.49Å; F291-T295 PolarHBondContact O-N 2.86Å; F291-T295 PolarHBondContact O-OG1 3.4Å
292	G	91.4	Very high	91.6	Very high	5 Å²	5	55.8 Å²	55.8	5%	0.052	32%	0.32	C	S	.	.	H	α-helix	trans	-67.7	-45.4	178.7	0	0	0	0	0	113.5	R288 T289 V290 T295 V296	R288-G292 PolarHBondContact O-N 3.36Å; T289-G292 PolarHBondContact O-N 3.1Å; V290-G292 VanDerWaalsContact C-N 3.32Å; V290-G292 PolarHBondContact O-N 3.18Å; G292-T295 PolarHBondContact O-OG1 2.71Å; G292-T295 VanDerWaalsContact O-OG1 3.12Å; G292-V296 PolarHBondContact O-N 2.74Å
293	I	93.6	Very high	92	Very high	100 Å²	100	55 Å²	55	51%	0.513	32%	0.319	S	S	.	.	H	α-helix	trans	-68	-44.1	179.4	-65.8	174.5	0	0	0	110.8	T289 V290 T295 V296 L297 L334	T289-I293 HydrophobicContact CG2-CD1 3.77Å; T289-I293 WeakPolarHBondContact O-CG1 3.39Å; T289-I293 PolarHBondContact O-N 2.87Å; V290-I293 PolarHBondContact O-N 2.87Å; I293-T295 PolarHBondContact O-N 2.84Å; I293-V296 PolarHBondContact O-N 3.06Å; I293-L297 PolarHBondContact O-N 2.76Å; I293-L334 HydrophobicContact CG1-CD2 4.43Å
294	T	94.8	Very high	92.5	Very high	72 Å²	72	53.2 Å²	53.2	44%	0.442	31%	0.312	S	S	.	.	H	α-helix	trans	-63.1	-40.7	178.3	-61.1	0	0	0	0	111.6	V290 L297 T298	V290-T294 VanDerWaalsContact O-CB 3.29Å; V290-T294 WeakPolarHBondContact O-CB 3.49Å; V290-T294 PolarHBondContact O-N 2.98Å; V290-T294 PolarHBondContact O-OG1 2.89Å; V290-T294 VanDerWaalsContact O-OG1 3.05Å; T294-L297 PolarHBondContact O-N 3.01Å; T294-T298 PolarHBondContact O-N 3.47Å; T294-T298 PolarHBondContact O-OG1 2.81Å; T294-T298 VanDerWaalsContact O-OG1 3.1Å
295	T	94.8	Very high	92.6	Very high	9 Å²	9	54.7 Å²	54.7	6%	0.055	32%	0.322	C	S	.	.	H	α-helix	trans	-67.2	-36.3	177.5	46.6	0	0	0	0	113	T270 L273 F291 G292 I293 M299	T270-T295 HydrophobicContact CG2-CG2 4.43Å; L273-T295 HydrophobicContact CB-CG2 4.27Å; F291-T295 WeakPolarHBondContact O-CB 3.31Å; F291-T295 WeakPolarHBondContact O-CG2 3.49Å; F291-T295 PolarHBondContact O-N 2.86Å; F291-T295 PolarHBondContact O-OG1 3.4Å; G292-T295 PolarHBondContact O-OG1 2.71Å; G292-T295 VanDerWaalsContact O-OG1 3.12Å; I293-T295 PolarHBondContact O-N 2.84Å; T295-M299 WeakPolarHBondContact O-CB 3.37Å; T295-M299 PolarHBondContact O-N 3.04Å
296	V	95.5	Very high	92.6	Very high	27 Å²	27	52.9 Å²	52.9	16%	0.164	31%	0.312	C	S	.	.	H	α-helix	trans	-63.8	-42.1	170.4	170.8	0	0	0	0	111.5	G292 I293 M299 T300 F327 V330 L334	G292-V296 PolarHBondContact O-N 2.74Å; I293-V296 PolarHBondContact O-N 3.06Å; V296-M299 PolarHBondContact O-N 2.96Å; V296-T300 WeakPolarHBondContact O-CB 3.33Å; V296-T300 PolarHBondContact O-N 2.86Å; V296-T300 PolarHBondContact O-OG1 2.84Å; V296-F327 HydrophobicContact CG1-CE2 4.02Å; V296-F327 HydrophobicContact CG1-CZ 4.15Å; V296-V330 HydrophobicContact CB-CG1 4.49Å; V296-V330 HydrophobicContact CG2-CG1 3.71Å; V296-L334 HydrophobicContact CB-CD1 4.5Å; V296-L334 HydrophobicContact CG2-CD1 3.61Å
297	L	95.6	Very high	92.3	Very high	107 Å²	107	54.7 Å²	54.7	56%	0.56	31%	0.307	S	S	*	.	H	α-helix	trans	-62.2	-48.2	176.8	179.8	60.5	0	0	0	111.3	I293 T294 M299 T300 T301	I293-L297 PolarHBondContact O-N 2.76Å; T294-L297 PolarHBondContact O-N 3.01Å; L297-M299 VanDerWaalsContact C-N 3.34Å; L297-M299 PolarHBondContact O-N 2.86Å; L297-T300 WeakPolarHBondContact O-CB 3.46Å; L297-T300 PolarHBondContact O-N 2.78Å; L297-T300 VanDerWaalsContact O-N 3.16Å; L297-T301 PolarHBondContact O-N 2.85Å; L297-T301 PolarHBondContact O-OG1 3.02Å
298	T	95.5	Very high	92	Very high	57 Å²	57	60 Å²	60	35%	0.35	32%	0.324	S	S	.	.	H	α-helix	trans	-57.2	-46	175	-62	0	0	0	0	111.6	T270 T294 T300 T301 L302	T270-T298 HydrophobicContact CG2-CG2 4.05Å; T294-T298 PolarHBondContact O-N 3.47Å; T294-T298 PolarHBondContact O-OG1 2.81Å; T294-T298 VanDerWaalsContact O-OG1 3.1Å; T298-T300 VanDerWaalsContact C-N 3.3Å; T298-T300 PolarHBondContact O-N 3.05Å; T298-T301 PolarHBondContact O-N 3.2Å; T298-L302 HydrophobicContact CG2-CD1 4.18Å; T298-L302 WeakPolarHBondContact O-CG 3.36Å; T298-L302 PolarHBondContact O-N 3.39Å
299	M	94.2	Very high	91.3	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-64.1	-35.2	178.3	-165.3	68.4	-148.2	0	0	112.3	C267 T270 T295 V296 L297 S303 I323 C326 F327	C267-M299 HydrophobicContact CB-CE 4.09Å; C267-M299 HydrophobicContact CB-SD 4.37Å; C267-M299 VanDerWaalsContact SG-CE 3.54Å; T270-M299 HydrophobicContact CG2-CB 4.28Å; T270-M299 HydrophobicContact CG2-SD 4.48Å; T295-M299 WeakPolarHBondContact O-CB 3.37Å; T295-M299 PolarHBondContact O-N 3.04Å; V296-M299 PolarHBondContact O-N 2.96Å; L297-M299 VanDerWaalsContact C-N 3.34Å; L297-M299 PolarHBondContact O-N 2.86Å; M299-S303 WeakPolarHBondContact O-CB 3.38Å; M299-S303 PolarHBondContact O-N 3.48Å; M299-I323 HydrophobicContact CE-CB 4.31Å; M299-I323 HydrophobicContact CE-CG1 4.49Å; M299-I323 HydrophobicContact CE-CG2 3.91Å; M299-I323 WeakPolarHBondContact CE-O 3.39Å; M299-C326 HydrophobicContact CE-CB 3.48Å; M299-C326 VanDerWaalsContact CE-CB 3.48Å; M299-C326 HydrophobicContact SD-CB 4.01Å; M299-F327 HydrophobicContact CB-CD2 4.23Å; M299-F327 HydrophobicContact CG-CB 4.09Å; M299-F327 HydrophobicContact CG-CD2 3.88Å; M299-F327 HydrophobicContact CG-CG 4.47Å
300	T	94.8	Very high	91	Very high	52 Å²	52	61.2 Å²	61.2	32%	0.319	33%	0.333	S	S	.	.	H	α-helix	trans	-65.9	-46	174.2	-53.7	0	0	0	0	111.1	V296 L297 T298 L302 S303 I304	V296-T300 WeakPolarHBondContact O-CB 3.33Å; V296-T300 PolarHBondContact O-N 2.86Å; V296-T300 PolarHBondContact O-OG1 2.84Å; L297-T300 WeakPolarHBondContact O-CB 3.46Å; L297-T300 PolarHBondContact O-N 2.78Å; L297-T300 VanDerWaalsContact O-N 3.16Å; T298-T300 VanDerWaalsContact C-N 3.3Å; T298-T300 PolarHBondContact O-N 3.05Å; T300-L302 PolarHBondContact O-N 2.92Å; T300-S303 WeakPolarHBondContact O-CB 3.29Å; T300-S303 PolarHBondContact O-N 2.68Å; T300-I304 HydrophobicContact CG2-CD1 4.11Å; T300-I304 WeakPolarHBondContact O-CG1 3.48Å; T300-I304 PolarHBondContact O-N 3.46Å
301	T	94.6	Very high	90.8	Very high	84 Å²	84	57.5 Å²	57.5	52%	0.515	31%	0.311	S	S	.	.	H	α-helix	trans	-61.9	-42.8	176.8	-59	0	0	0	0	112.1	L297 T298 I304 S305	L297-T301 PolarHBondContact O-N 2.85Å; L297-T301 PolarHBondContact O-OG1 3.02Å; T298-T301 PolarHBondContact O-N 3.2Å; T301-I304 PolarHBondContact O-N 3.06Å; T301-S305 WeakPolarHBondContact O-CB 3.39Å; T301-S305 PolarHBondContact O-N 2.85Å
302	L	92.9	Very high	90.7	Very high	32 Å²	32	63.7 Å²	63.7	17%	0.168	34%	0.338	C	S	.	.	H	α-helix	trans	-62.5	-41.6	174.8	-70.8	172.8	0	0	0	112	P266 T298 T300 S305 A306	P266-L302 HydrophobicContact CB-CD1 3.87Å; P266-L302 HydrophobicContact CB-CD2 3.83Å; T298-L302 HydrophobicContact CG2-CD1 4.18Å; T298-L302 WeakPolarHBondContact O-CG 3.36Å; T298-L302 PolarHBondContact O-N 3.39Å; T300-L302 PolarHBondContact O-N 2.92Å; L302-S305 PolarHBondContact O-N 3.25Å; L302-A306 WeakPolarHBondContact O-CB 3.41Å; L302-A306 PolarHBondContact O-N 3.27Å
303	S	91.2	Very high	90.7	Very high	21 Å²	21	65.5 Å²	65.5	15%	0.147	35%	0.348	C	S	.	.	H	α-helix	trans	-62.8	-41	176.6	-177.8	0	0	0	0	113	M299 T300 R307 I323	M299-S303 WeakPolarHBondContact O-CB 3.38Å; M299-S303 PolarHBondContact O-N 3.48Å; T300-S303 WeakPolarHBondContact O-CB 3.29Å; T300-S303 PolarHBondContact O-N 2.68Å; S303-R307 PolarHBondContact O-N 2.84Å; S303-I323 WeakPolarHBondContact OG-CG2 2.99Å
304	I	91.4	Very high	90.5	Very high	93 Å²	93	66.8 Å²	66.8	48%	0.477	37%	0.366	S	S	.	.	H	α-helix	trans	-67.4	-48.5	175.1	-67.4	166.4	0	0	0	110.1	T300 T301 A306 R307 H308	T300-I304 HydrophobicContact CG2-CD1 4.11Å; T300-I304 WeakPolarHBondContact O-CG1 3.48Å; T300-I304 PolarHBondContact O-N 3.46Å; T301-I304 PolarHBondContact O-N 3.06Å; I304-A306 VanDerWaalsContact C-N 3.33Å; I304-A306 PolarHBondContact O-N 3.21Å; I304-R307 PolarHBondContact O-N 3.35Å; I304-R307 VanDerWaalsContact O-N 3.12Å; I304-H308 PolarHBondContact O-CD2 2.65Å; I304-H308 PolarHBondContact O-N 2.79Å
305	S	90.3	Very high	90.4	Very high	79 Å²	79	67.2 Å²	67.2	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-56.9	-44	179.5	-172.2	0	0	0	0	112.3	T301 L302 R307 H308	T301-S305 WeakPolarHBondContact O-CB 3.39Å; T301-S305 PolarHBondContact O-N 2.85Å; L302-S305 PolarHBondContact O-N 3.25Å; S305-R307 VanDerWaalsContact C-N 3.29Å; S305-R307 PolarHBondContact O-N 3.34Å; S305-H308 PolarHBondContact O-N 3.38Å
306	A	87.7	Confident	90.2	Very high	7 Å²	7	69.1 Å²	69.1	6%	0.058	38%	0.376	C	S	.	.	H	α-helix	trans	-57.5	-37.4	176.8	0	0	0	0	0	113.7	T263 L302 I304 M319 I323	T263-A306 HydrophobicContact CG2-CB 4.39Å; L302-A306 WeakPolarHBondContact O-CB 3.41Å; L302-A306 PolarHBondContact O-N 3.27Å; I304-A306 VanDerWaalsContact C-N 3.33Å; I304-A306 PolarHBondContact O-N 3.21Å; A306-M319 HydrophobicContact CB-CE 3.63Å; A306-M319 HydrophobicContact CB-SD 4.05Å; A306-I323 HydrophobicContact CB-CD1 3.7Å
307	R	85.2	Confident	90.1	Very high	135 Å²	135	67.8 Å²	67.8	51%	0.509	37%	0.369	S	S	.	.	H	α-helix	trans	-83.4	-13.7	-174.9	-72.5	176.3	173.8	162.3	-1.3	114.5	S303 I304 S305 S309 L310 D320	S303-R307 PolarHBondContact O-N 2.84Å; I304-R307 PolarHBondContact O-N 3.35Å; I304-R307 VanDerWaalsContact O-N 3.12Å; S305-R307 VanDerWaalsContact C-N 3.29Å; S305-R307 PolarHBondContact O-N 3.34Å; R307-S309 PolarHBondContact O-N 2.79Å; R307-L310 PolarHBondContact O-N 2.75Å; R307-D320 IonicContact CZ-OD1 3.23Å; R307-D320 IonicContact NE-OD1 2.92Å; R307-D320 PolarHBondContact NE-OD1 2.69Å; R307-D320 IonicContact NH2-OD1 3.31Å; R307-D320 PolarHBondContact NH2-OD1 3.15Å
308	H	84.4	Confident	89.9	Confident	151 Å²	151	62.7 Å²	62.7	70%	0.699	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-21.4	176.2	-80.8	-71.9	0	0	0	113.6	I304 S305	I304-H308 PolarHBondContact O-CD2 2.65Å; I304-H308 PolarHBondContact O-N 2.79Å; S305-H308 PolarHBondContact O-N 3.38Å
309	S	76	Confident	89.8	Confident	53 Å²	53	60.1 Å²	60.1	37%	0.371	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	3.8	178.3	-55	0	0	0	0	114.3	R307	R307-S309 PolarHBondContact O-N 2.79Å
310	L	84.4	Confident	89.7	Confident	19 Å²	19	61 Å²	61	10%	0.099	33%	0.33	C	S	.	.	S	Bend	trans	-119.8	147.1	-172.7	-81.5	168.7	0	0	0	112.5	L176 F179 R307 M319	L176-L310 HydrophobicContact CD1-CD2 4.02Å; F179-L310 HydrophobicContact CD1-CD1 4.06Å; F179-L310 HydrophobicContact CD1-CD2 3.96Å; F179-L310 HydrophobicContact CD1-CG 4.47Å; F179-L310 HydrophobicContact CD2-CD2 3.82Å; F179-L310 HydrophobicContact CE1-CD1 3.84Å; F179-L310 HydrophobicContact CE1-CD2 3.78Å; F179-L310 HydrophobicContact CE1-CG 4.01Å; F179-L310 HydrophobicContact CE2-CD2 3.6Å; F179-L310 HydrophobicContact CG-CD2 3.99Å; F179-L310 HydrophobicContact CZ-CD1 4.37Å; F179-L310 HydrophobicContact CZ-CD2 3.59Å; F179-L310 HydrophobicContact CZ-CG 4.02Å; R307-L310 PolarHBondContact O-N 2.75Å; L310-M319 HydrophobicContact CD1-SD 4.29Å
311	P	89.3	Confident	89.6	Confident	14 Å²	14	65.9 Å²	65.9	9%	0.091	34%	0.343	C	S	.	.			trans	-61.9	154.8	163.5	28.1	-35	0	0	0	111	D88 M91 L176 V313	D88-P311 WeakPolarHBondContact O-CD 3.32Å; D88-P311 VanDerWaalsContact O-CG 3.28Å; D88-P311 WeakPolarHBondContact O-CG 3.39Å; M91-P311 HydrophobicContact CE-CB 4.49Å; M91-P311 HydrophobicContact CE-CG 4.25Å; L176-P311 HydrophobicContact CD1-CG 3.37Å; P311-V313 VanDerWaalsContact C-N 3.27Å; P311-V313 HydrophobicContact CG-CG1 4.22Å; P311-V313 PolarHBondContact O-N 2.88Å
312	K	88.1	Confident	89.7	Confident	220 Å²	220	62 Å²	62	96%	0.957	32%	0.319	S	S	*	.			trans	-75.6	75.7	176.4	-65.4	179.5	-178.1	175.5	0	111.3
313	V	90.1	Very high	89.7	Confident	43 Å²	43	60.6 Å²	60.6	26%	0.261	31%	0.312	S	S	.	.			trans	-73.4	152.3	173	-68.4	0	0	0	0	111.9	P311 Y315 T317	P311-V313 VanDerWaalsContact C-N 3.27Å; P311-V313 HydrophobicContact CG-CG1 4.22Å; P311-V313 PolarHBondContact O-N 2.88Å; V313-Y315 HydrophobicContact CB-CD1 4.2Å; V313-Y315 HydrophobicContact CB-CD2 4.46Å; V313-Y315 HydrophobicContact CB-CE1 3.91Å; V313-Y315 HydrophobicContact CB-CE2 4.18Å; V313-Y315 HydrophobicContact CB-CG 4.47Å; V313-Y315 HydrophobicContact CG1-CE1 4Å; V313-Y315 HydrophobicContact CG1-CE2 4.31Å; V313-Y315 HydrophobicContact CG2-CD2 4.38Å; V313-Y315 HydrophobicContact CG2-CE2 4.22Å; V313-Y315 WeakPolarHBondContact CG2-O 3.2Å; V313-T317 HydrophobicContact CG2-CG2 4.29Å
314	S	90	Very high	89.9	Confident	127 Å²	127	62.2 Å²	62.2	89%	0.888	33%	0.326	S	S	*	.	S	Bend	trans	-89.1	-2.9	179.5	53.6	0	0	0	0	114.3
315	Y	92.4	Very high	90.1	Very high	82 Å²	82	59.8 Å²	59.8	32%	0.322	32%	0.316	S	S	.	.	S	Bend	trans	-117.3	150.3	-179.1	53.3	-96.3	0	0	0	110.9	L176 V177 V313	L176-Y315 PolarHBondContact N-OH 2.68Å; L176-Y315 VanDerWaalsContact N-OH 3.08Å; V177-Y315 HydrophobicContact CB-CE2 4.45Å; V177-Y315 HydrophobicContact CG2-CD2 4.07Å; V177-Y315 HydrophobicContact CG2-CE2 3.75Å; V313-Y315 HydrophobicContact CB-CD1 4.2Å; V313-Y315 HydrophobicContact CB-CD2 4.46Å; V313-Y315 HydrophobicContact CB-CE1 3.91Å; V313-Y315 HydrophobicContact CB-CE2 4.18Å; V313-Y315 HydrophobicContact CB-CG 4.47Å; V313-Y315 HydrophobicContact CG1-CE1 4Å; V313-Y315 HydrophobicContact CG1-CE2 4.31Å; V313-Y315 HydrophobicContact CG2-CD2 4.38Å; V313-Y315 HydrophobicContact CG2-CE2 4.22Å; V313-Y315 WeakPolarHBondContact CG2-O 3.2Å
316	A	90.4	Very high	90.3	Very high	48 Å²	48	56 Å²	56	40%	0.397	29%	0.289	S	S	.	.			trans	-74.6	128.8	174.6	0	0	0	0	0	110.9	D320 W321	A316-D320 HydrophobicContact CB-CB 4.14Å; A316-W321 HydrophobicContact CB-CZ2 4.49Å
317	T	93.3	Very high	90.7	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.303	C	S	.	.			trans	-79	165.4	174.7	66.9	0	0	0	0	111.9	L176 V177 F179 V313 M319 D320 W321	L176-T317 WeakPolarHBondContact O-CG2 3.33Å; V177-T317 CarbonylContact O-C 3.55Å; V177-T317 WeakPolarHBondContact O-CA 3.47Å; F179-T317 HydrophobicContact CB-CG2 4.37Å; V313-T317 HydrophobicContact CG2-CG2 4.29Å; T317-M319 PolarHBondContact O-N 3.46Å; T317-M319 PolarHBondContact OG1-N 2.8Å; T317-D320 WeakPolarHBondContact CB-OD2 3.39Å; T317-D320 WeakPolarHBondContact CG2-OD2 3.23Å; T317-D320 PolarHBondContact N-OD2 3.07Å; T317-D320 WeakPolarHBondContact O-CB 3.34Å; T317-D320 PolarHBondContact O-N 2.76Å; T317-D320 PolarHBondContact OG1-N 3.16Å; T317-D320 PolarHBondContact OG1-OD2 2.98Å; T317-W321 PolarHBondContact O-N 3.23Å
318	A	92.4	Very high	91.2	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-57.4	-31.5	171.3	0	0	0	0	0	112.9	V177 F322 Y537 Y541	V177-A318 PolarHBondContact O-N 3.14Å; A318-F322 PolarHBondContact O-N 3.02Å; A318-Y537 WeakPolarHBondContact O-CE2 3.21Å; A318-Y537 PolarHBondContact O-OH 2.89Å; A318-Y541 HydrophobicContact CB-CD1 3.96Å; A318-Y541 HydrophobicContact CB-CE1 3.39Å; A318-Y541 HydrophobicContact CB-CE2 4.18Å
319	M	91.9	Very high	91.7	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	27%	0.271	C	S	.	.	H	α-helix	trans	-66.8	-45.3	170.7	-169.1	-163.2	-149.3	0	0	112.2	F179 F259 T263 A306 L310 T317 W321 F322 I323	F179-M319 HydrophobicContact CD1-CB 4.12Å; F179-M319 HydrophobicContact CD1-SD 4.09Å; F179-M319 HydrophobicContact CE1-CE 4.39Å; F179-M319 HydrophobicContact CE1-SD 3.68Å; F179-M319 PolarHBondContact O-N 3.31Å; F259-M319 HydrophobicContact CD1-CE 3.93Å; T263-M319 HydrophobicContact CG2-CE 3.7Å; T263-M319 VanDerWaalsContact OG1-CE 3.25Å; T263-M319 WeakPolarHBondContact OG1-CE 3.37Å; A306-M319 HydrophobicContact CB-CE 3.63Å; A306-M319 HydrophobicContact CB-SD 4.05Å; L310-M319 HydrophobicContact CD1-SD 4.29Å; T317-M319 PolarHBondContact O-N 3.46Å; T317-M319 PolarHBondContact OG1-N 2.8Å; M319-W321 VanDerWaalsContact C-N 3.34Å; M319-W321 PolarHBondContact O-N 2.92Å; M319-F322 WeakPolarHBondContact O-CB 3.41Å; M319-F322 PolarHBondContact O-N 3.47Å; M319-I323 HydrophobicContact CG-CD1 3.92Å; M319-I323 WeakPolarHBondContact O-CG1 3.47Å; M319-I323 PolarHBondContact O-N 2.87Å; M319-I323 HydrophobicContact SD-CD1 4.45Å
320	D	93.1	Very high	92.7	Very high	17 Å²	17	47 Å²	47	9%	0.091	25%	0.253	C	S	.	.	H	α-helix	trans	-60.3	-42.5	176.4	-70.8	-71.2	0	0	0	111.8	R307 A316 T317 F322 I323 A324	R307-D320 IonicContact CZ-OD1 3.23Å; R307-D320 IonicContact NE-OD1 2.92Å; R307-D320 PolarHBondContact NE-OD1 2.69Å; R307-D320 IonicContact NH2-OD1 3.31Å; R307-D320 PolarHBondContact NH2-OD1 3.15Å; A316-D320 HydrophobicContact CB-CB 4.14Å; T317-D320 WeakPolarHBondContact CB-OD2 3.39Å; T317-D320 WeakPolarHBondContact CG2-OD2 3.23Å; T317-D320 PolarHBondContact N-OD2 3.07Å; T317-D320 WeakPolarHBondContact O-CB 3.34Å; T317-D320 PolarHBondContact O-N 2.76Å; T317-D320 PolarHBondContact OG1-N 3.16Å; T317-D320 PolarHBondContact OG1-OD2 2.98Å; D320-F322 VanDerWaalsContact C-N 3.34Å; D320-F322 PolarHBondContact O-N 3.27Å; D320-I323 PolarHBondContact O-N 2.9Å; D320-A324 VanDerWaalsContact O-CB 3.23Å; D320-A324 WeakPolarHBondContact O-CB 3.31Å; D320-A324 PolarHBondContact O-N 2.93Å
321	W	93.7	Very high	93.1	Very high	156 Å²	156	51.2 Å²	51.2	59%	0.591	27%	0.271	S	S	*	.	H	α-helix	trans	-61.4	-41.3	175.8	-77.1	110.2	0	0	0	112.1	A316 T317 M319 V325	A316-W321 HydrophobicContact CB-CZ2 4.49Å; T317-W321 PolarHBondContact O-N 3.23Å; M319-W321 VanDerWaalsContact C-N 3.34Å; M319-W321 PolarHBondContact O-N 2.92Å; W321-V325 WeakPolarHBondContact O-CG2 3.48Å; W321-V325 PolarHBondContact O-N 3.1Å; W321-V325 VanDerWaalsContact O-N 3.08Å
322	F	94.9	Very high	93.3	Very high	1 Å²	1	52.8 Å²	52.8	0%	0.004	28%	0.282	C	S	.	.	H	α-helix	trans	-63.3	-48.1	175.7	-171.4	-93.5	0	0	0	112.1	Y264 C267 I268 A318 M319 D320 V325 C326 F533 Y537	Y264-F322 AromaticContact CD1-CD1 3.59Å; Y264-F322 HydrophobicContact CD1-CD1 3.59Å; Y264-F322 HydrophobicContact CD1-CD2 4.1Å; Y264-F322 AromaticContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE1 3.54Å; Y264-F322 HydrophobicContact CD1-CE2 4.05Å; Y264-F322 AromaticContact CD1-CG 3.88Å; Y264-F322 HydrophobicContact CD1-CG 3.88Å; Y264-F322 AromaticContact CD1-CZ 3.79Å; Y264-F322 HydrophobicContact CD1-CZ 3.79Å; Y264-F322 HydrophobicContact CE1-CB 4.04Å; Y264-F322 AromaticContact CE1-CD1 3.72Å; Y264-F322 HydrophobicContact CE1-CD1 3.72Å; Y264-F322 AromaticContact CE1-CD2 3.91Å; Y264-F322 HydrophobicContact CE1-CD2 3.91Å; Y264-F322 HydrophobicContact CE1-CE1 4.14Å; Y264-F322 HydrophobicContact CE1-CE2 4.3Å; Y264-F322 AromaticContact CE1-CG 3.6Å; Y264-F322 HydrophobicContact CE1-CG 3.6Å; Y264-F322 HydrophobicContact CE1-CZ 4.42Å; Y264-F322 HydrophobicContact CG-CE1 4.49Å; C267-F322 HydrophobicContact CB-CE1 4.01Å; I268-F322 HydrophobicContact CD1-CZ 4.15Å; I268-F322 HydrophobicContact CG1-CE1 4.43Å; I268-F322 HydrophobicContact CG1-CZ 3.85Å; A318-F322 PolarHBondContact O-N 3.02Å; M319-F322 WeakPolarHBondContact O-CB 3.41Å; M319-F322 PolarHBondContact O-N 3.47Å; D320-F322 VanDerWaalsContact C-N 3.34Å; D320-F322 PolarHBondContact O-N 3.27Å; F322-V325 PolarHBondContact O-N 3.27Å; F322-C326 WeakPolarHBondContact CE1-SG 3.23Å; F322-C326 WeakPolarHBondContact O-CB 3.24Å; F322-C326 PolarHBondContact O-N 3.08Å; F322-C326 PolarHBondContact O-SG 2.88Å; F322-F533 AromaticContact CD2-CE1 3.75Å; F322-F533 HydrophobicContact CD2-CE1 3.75Å; F322-F533 AromaticContact CD2-CZ 3.9Å; F322-F533 HydrophobicContact CD2-CZ 3.9Å; F322-F533 AromaticContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CZ 4.38Å; F322-Y537 HydrophobicContact CB-CE2 3.76Å; F322-Y537 AromaticContact CD2-CD1 3.83Å; F322-Y537 HydrophobicContact CD2-CD1 3.83Å; F322-Y537 AromaticContact CD2-CD2 3.96Å; F322-Y537 HydrophobicContact CD2-CD2 3.96Å; F322-Y537 AromaticContact CD2-CE1 3.76Å; F322-Y537 HydrophobicContact CD2-CE1 3.76Å; F322-Y537 AromaticContact CD2-CE2 3.9Å; F322-Y537 HydrophobicContact CD2-CE2 3.9Å; F322-Y537 AromaticContact CD2-CG 3.94Å; F322-Y537 HydrophobicContact CD2-CG 3.94Å; F322-Y537 AromaticContact CD2-CZ 3.8Å; F322-Y537 HydrophobicContact CE2-CD1 4.23Å; F322-Y537 HydrophobicContact CE2-CE1 4.42Å; F322-Y537 HydrophobicContact CE2-CG 4.48Å; F322-Y537 HydrophobicContact CG-CE1 4.41Å; F322-Y537 HydrophobicContact CG-CE2 4.31Å
323	I	94.4	Very high	93.5	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-42.9	178.7	-71.1	169.8	0	0	0	110.9	T263 M299 S303 A306 M319 D320 C326 F327	T263-I323 HydrophobicContact CG2-CD1 4.07Å; T263-I323 HydrophobicContact CG2-CG1 4.38Å; M299-I323 HydrophobicContact CE-CB 4.31Å; M299-I323 HydrophobicContact CE-CG1 4.49Å; M299-I323 HydrophobicContact CE-CG2 3.91Å; M299-I323 WeakPolarHBondContact CE-O 3.39Å; S303-I323 WeakPolarHBondContact OG-CG2 2.99Å; A306-I323 HydrophobicContact CB-CD1 3.7Å; M319-I323 HydrophobicContact CG-CD1 3.92Å; M319-I323 WeakPolarHBondContact O-CG1 3.47Å; M319-I323 PolarHBondContact O-N 2.87Å; M319-I323 HydrophobicContact SD-CD1 4.45Å; D320-I323 PolarHBondContact O-N 2.9Å; I323-C326 PolarHBondContact O-N 3Å; I323-F327 WeakPolarHBondContact O-CB 3.37Å; I323-F327 PolarHBondContact O-N 2.81Å
324	A	94.6	Very high	93.7	Very high	54 Å²	54	42.3 Å²	42.3	45%	0.446	24%	0.235	S	C	.	.	H	α-helix	trans	-64	-42.3	178.6	0	0	0	0	0	112.5	D320 F327 A328	D320-A324 VanDerWaalsContact O-CB 3.23Å; D320-A324 WeakPolarHBondContact O-CB 3.31Å; D320-A324 PolarHBondContact O-N 2.93Å; A324-F327 PolarHBondContact O-N 3.5Å; A324-A328 WeakPolarHBondContact O-CB 3.35Å; A324-A328 PolarHBondContact O-N 2.6Å
325	V	95.3	Very high	93.8	Very high	42 Å²	42	40.7 Å²	40.7	26%	0.255	22%	0.216	S	C	.	.	H	α-helix	trans	-67.6	-42.4	175.8	172.5	0	0	0	0	111.2	W321 F322 F327 A328 F329 F533	W321-V325 WeakPolarHBondContact O-CG2 3.48Å; W321-V325 PolarHBondContact O-N 3.1Å; W321-V325 VanDerWaalsContact O-N 3.08Å; F322-V325 PolarHBondContact O-N 3.27Å; V325-F327 VanDerWaalsContact C-N 3.34Å; V325-F327 PolarHBondContact O-N 3.5Å; V325-A328 WeakPolarHBondContact O-CB 3.32Å; V325-A328 PolarHBondContact O-N 2.73Å; V325-F329 HydrophobicContact CG1-CD2 3.82Å; V325-F329 HydrophobicContact CG1-CE2 3.62Å; V325-F329 VanDerWaalsContact O-CD2 3.28Å; V325-F329 WeakPolarHBondContact O-CD2 3.34Å; V325-F329 PolarHBondContact O-N 2.84Å; V325-F533 HydrophobicContact CB-CE1 4.05Å; V325-F533 HydrophobicContact CB-CE2 3.99Å; V325-F533 HydrophobicContact CB-CZ 3.7Å; V325-F533 HydrophobicContact CG1-CD1 3.79Å; V325-F533 HydrophobicContact CG1-CD2 3.85Å; V325-F533 HydrophobicContact CG1-CE1 3.66Å; V325-F533 HydrophobicContact CG1-CE2 3.73Å; V325-F533 HydrophobicContact CG1-CG 3.88Å; V325-F533 HydrophobicContact CG1-CZ 3.64Å; V325-F533 HydrophobicContact CG2-CE2 3.94Å; V325-F533 HydrophobicContact CG2-CZ 4.08Å
326	C	95.9	Very high	93.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.3	-42.9	174.5	-69.1	0	0	0	0	111.8	V271 M299 F322 I323 A328 F329 V330	V271-C326 HydrophobicContact CG2-CB 3.67Å; M299-C326 HydrophobicContact CE-CB 3.48Å; M299-C326 VanDerWaalsContact CE-CB 3.48Å; M299-C326 HydrophobicContact SD-CB 4.01Å; F322-C326 WeakPolarHBondContact CE1-SG 3.23Å; F322-C326 WeakPolarHBondContact O-CB 3.24Å; F322-C326 PolarHBondContact O-N 3.08Å; F322-C326 PolarHBondContact O-SG 2.88Å; I323-C326 PolarHBondContact O-N 3Å; C326-A328 PolarHBondContact O-N 2.89Å; C326-F329 PolarHBondContact O-N 3.1Å; C326-V330 WeakPolarHBondContact O-CG2 3.11Å; C326-V330 PolarHBondContact O-N 2.86Å
327	F	95.1	Very high	93.8	Very high	77 Å²	77	36 Å²	36	34%	0.338	19%	0.188	S	C	.	.	H	α-helix	trans	-61.3	-41.8	174.4	-172.3	-87.9	0	0	0	112.1	V296 M299 I323 A324 V325 F329 V330 F331	V296-F327 HydrophobicContact CG1-CE2 4.02Å; V296-F327 HydrophobicContact CG1-CZ 4.15Å; M299-F327 HydrophobicContact CB-CD2 4.23Å; M299-F327 HydrophobicContact CG-CB 4.09Å; M299-F327 HydrophobicContact CG-CD2 3.88Å; M299-F327 HydrophobicContact CG-CG 4.47Å; I323-F327 WeakPolarHBondContact O-CB 3.37Å; I323-F327 PolarHBondContact O-N 2.81Å; A324-F327 PolarHBondContact O-N 3.5Å; V325-F327 VanDerWaalsContact C-N 3.34Å; V325-F327 PolarHBondContact O-N 3.5Å; F327-F329 VanDerWaalsContact C-N 3.34Å; F327-F329 PolarHBondContact O-N 3.45Å; F327-V330 PolarHBondContact O-N 3.16Å; F327-F331 VanDerWaalsContact O-CB 3.3Å; F327-F331 WeakPolarHBondContact O-CB 3.44Å; F327-F331 PolarHBondContact O-N 2.76Å
328	A	95.7	Very high	93.7	Very high	50 Å²	50	38.7 Å²	38.7	41%	0.413	21%	0.21	S	C	.	.	H	α-helix	trans	-62	-38.1	175	0	0	0	0	0	112.7	A324 V325 C326 S332	A324-A328 WeakPolarHBondContact O-CB 3.35Å; A324-A328 PolarHBondContact O-N 2.6Å; V325-A328 WeakPolarHBondContact O-CB 3.32Å; V325-A328 PolarHBondContact O-N 2.73Å; C326-A328 PolarHBondContact O-N 2.89Å; A328-S332 VanDerWaalsContact O-CB 3.26Å; A328-S332 WeakPolarHBondContact O-CB 3.26Å; A328-S332 PolarHBondContact O-N 3.07Å; A328-S332 PolarHBondContact O-OG 2.84Å
329	F	95.4	Very high	93.6	Very high	31 Å²	31	40.1 Å²	40.1	14%	0.136	22%	0.223	C	C	.	.	H	α-helix	trans	-65.1	-45.8	173.8	-84.7	-69.4	0	0	0	112.8	V271 V325 C326 F327 S332 A333 F526 S529 F530	V271-F329 HydrophobicContact CG1-CB 3.98Å; V271-F329 HydrophobicContact CG1-CG 4.49Å; V325-F329 HydrophobicContact CG1-CD2 3.82Å; V325-F329 HydrophobicContact CG1-CE2 3.62Å; V325-F329 VanDerWaalsContact O-CD2 3.28Å; V325-F329 WeakPolarHBondContact O-CD2 3.34Å; V325-F329 PolarHBondContact O-N 2.84Å; C326-F329 PolarHBondContact O-N 3.1Å; F327-F329 VanDerWaalsContact C-N 3.34Å; F327-F329 PolarHBondContact O-N 3.45Å; F329-S332 PolarHBondContact O-N 3.39Å; F329-A333 PolarHBondContact O-N 3.1Å; F329-A333 VanDerWaalsContact O-N 3.17Å; F329-F526 HydrophobicContact CD1-CD1 4.19Å; F329-S529 WeakPolarHBondContact CE1-OG 3.33Å; F329-F530 AromaticContact CD2-CD2 3.67Å; F329-F530 HydrophobicContact CD2-CD2 3.67Å; F329-F530 HydrophobicContact CD2-CE2 4.35Å; F329-F530 HydrophobicContact CE1-CB 4.28Å; F329-F530 HydrophobicContact CE2-CB 4.31Å; F329-F530 AromaticContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CG-CD2 4.29Å; F329-F530 HydrophobicContact CZ-CB 4.13Å; F329-F530 HydrophobicContact CZ-CD2 4.41Å
330	V	95.7	Very high	93.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-64.2	-44.2	177.7	179.2	0	0	0	0	111	T270 V271 V296 C326 F327 S332 A333 L334	T270-V330 HydrophobicContact CG2-CG2 4.44Å; V271-V330 HydrophobicContact CG2-CG2 3.95Å; V296-V330 HydrophobicContact CB-CG1 4.49Å; V296-V330 HydrophobicContact CG2-CG1 3.71Å; C326-V330 WeakPolarHBondContact O-CG2 3.11Å; C326-V330 PolarHBondContact O-N 2.86Å; F327-V330 PolarHBondContact O-N 3.16Å; V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 2.92Å; V330-A333 WeakPolarHBondContact O-CB 3.47Å; V330-A333 PolarHBondContact O-N 2.97Å; V330-A333 VanDerWaalsContact O-N 3.16Å; V330-L334 PolarHBondContact O-N 3.01Å
331	F	94.6	Very high	93.3	Very high	107 Å²	107	41.5 Å²	41.5	47%	0.469	23%	0.23	S	C	.	.	H	α-helix	trans	-63.3	-36.8	175.7	-172.5	-113.6	0	0	0	112.4	F327 A333 L334 I335	F327-F331 VanDerWaalsContact O-CB 3.3Å; F327-F331 WeakPolarHBondContact O-CB 3.44Å; F327-F331 PolarHBondContact O-N 2.76Å; F331-A333 VanDerWaalsContact C-N 3.27Å; F331-A333 PolarHBondContact O-N 2.7Å; F331-L334 WeakPolarHBondContact O-CB 3.36Å; F331-L334 PolarHBondContact O-N 3.25Å; F331-L334 VanDerWaalsContact O-N 3.15Å; F331-I335 HydrophobicContact CD1-CD1 3.88Å; F331-I335 HydrophobicContact CE1-CD1 3.7Å; F331-I335 HydrophobicContact CE1-CG1 4.38Å; F331-I335 HydrophobicContact CZ-CD1 4.43Å; F331-I335 PolarHBondContact O-N 2.78Å; F331-I335 VanDerWaalsContact O-N 3.12Å
332	S	93.3	Very high	93	Very high	47 Å²	47	41.9 Å²	41.9	33%	0.329	23%	0.232	S	C	.	.	H	α-helix	trans	-64.9	-29.1	174.9	-62.1	0	0	0	0	113	A328 F329 V330 I335 E336	A328-S332 VanDerWaalsContact O-CB 3.26Å; A328-S332 WeakPolarHBondContact O-CB 3.26Å; A328-S332 PolarHBondContact O-N 3.07Å; A328-S332 PolarHBondContact O-OG 2.84Å; F329-S332 PolarHBondContact O-N 3.39Å; V330-S332 VanDerWaalsContact C-N 3.32Å; V330-S332 PolarHBondContact O-N 2.92Å; S332-I335 PolarHBondContact O-N 3.11Å; S332-E336 WeakPolarHBondContact O-CB 3.25Å; S332-E336 PolarHBondContact O-N 3.09Å
333	A	92.4	Very high	92.7	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	26%	0.256	C	S	.	.	H	α-helix	trans	-70.4	-32.4	173.1	0	0	0	0	0	112.6	F278 F329 V330 F331 F337 F526	F278-A333 HydrophobicContact CE1-CB 4.04Å; F278-A333 HydrophobicContact CZ-CB 3.89Å; F329-A333 PolarHBondContact O-N 3.1Å; F329-A333 VanDerWaalsContact O-N 3.17Å; V330-A333 WeakPolarHBondContact O-CB 3.47Å; V330-A333 PolarHBondContact O-N 2.97Å; V330-A333 VanDerWaalsContact O-N 3.16Å; F331-A333 VanDerWaalsContact C-N 3.27Å; F331-A333 PolarHBondContact O-N 2.7Å; A333-F337 PolarHBondContact O-N 2.92Å; A333-F337 VanDerWaalsContact O-N 3.1Å; A333-F526 HydrophobicContact CB-CE1 4.5Å
334	L	92.3	Very high	92.3	Very high	39 Å²	39	48.1 Å²	48.1	20%	0.204	26%	0.262	C	S	.	.	H	α-helix	trans	-67.4	-39.6	169.7	-88.6	176.1	0	0	0	112.3	I293 V296 V330 F331 F337 A338	I293-L334 HydrophobicContact CG1-CD2 4.43Å; V296-L334 HydrophobicContact CB-CD1 4.5Å; V296-L334 HydrophobicContact CG2-CD1 3.61Å; V330-L334 PolarHBondContact O-N 3.01Å; F331-L334 WeakPolarHBondContact O-CB 3.36Å; F331-L334 PolarHBondContact O-N 3.25Å; F331-L334 VanDerWaalsContact O-N 3.15Å; L334-F337 HydrophobicContact CD2-CD1 4.49Å; L334-F337 PolarHBondContact O-N 2.89Å; L334-A338 WeakPolarHBondContact O-CB 3.37Å; L334-A338 PolarHBondContact O-N 3.09Å
335	I	93.1	Very high	91.9	Very high	93 Å²	93	49 Å²	49	48%	0.477	26%	0.259	S	S	.	.	H	α-helix	trans	-64.5	-41.5	175.5	-64.9	172	0	0	0	110.7	F331 S332 A338 A339	F331-I335 HydrophobicContact CD1-CD1 3.88Å; F331-I335 HydrophobicContact CE1-CD1 3.7Å; F331-I335 HydrophobicContact CE1-CG1 4.38Å; F331-I335 HydrophobicContact CZ-CD1 4.43Å; F331-I335 PolarHBondContact O-N 2.78Å; F331-I335 VanDerWaalsContact O-N 3.12Å; S332-I335 PolarHBondContact O-N 3.11Å; I335-A338 PolarHBondContact O-N 3.43Å; I335-A339 WeakPolarHBondContact O-CB 3.39Å; I335-A339 PolarHBondContact O-N 2.84Å
336	E	92.8	Very high	91.4	Very high	13 Å²	13	48.4 Å²	48.4	6%	0.061	26%	0.259	C	S	.	.	H	α-helix	trans	-56.5	-50.4	173.9	-172.9	-76.7	159.2	0	0	111.1	F278 R288 S332 A338 A339 V340 I518 A522	F278-E336 HydrophobicContact CD1-CG 4.15Å; F278-E336 WeakPolarHBondContact CD1-OE2 3.31Å; F278-E336 HydrophobicContact CE1-CB 3.96Å; F278-E336 HydrophobicContact CE1-CG 3.69Å; F278-E336 WeakPolarHBondContact CE1-OE2 3.24Å; F278-E336 HydrophobicContact CZ-CG 4.46Å; R288-E336 IonicContact CZ-OE2 2.69Å; R288-E336 IonicContact NH2-OE1 2.74Å; R288-E336 PolarHBondContact NH2-OE1 2.8Å; R288-E336 IonicContact NH2-OE2 3.8Å; R288-E336 PolarHBondContact NH2-OE2 2.87Å; S332-E336 WeakPolarHBondContact O-CB 3.25Å; S332-E336 PolarHBondContact O-N 3.09Å; E336-A338 PolarHBondContact O-N 2.79Å; E336-A339 PolarHBondContact O-N 2.71Å; E336-V340 WeakPolarHBondContact O-CG2 3.35Å; E336-V340 PolarHBondContact O-N 2.84Å; E336-V340 VanDerWaalsContact OE1-CG2 3.24Å; E336-V340 WeakPolarHBondContact OE1-CG2 3.48Å; E336-I518 HydrophobicContact CG-CG2 3.97Å; E336-A522 HydrophobicContact CG-CB 4.03Å
337	F	90.4	Very high	90.9	Very high	19 Å²	19	53.9 Å²	53.9	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-43.6	177.9	161.9	-116.2	0	0	0	112.1	V285 R288 T289 A333 L334 A339 V340 N341	V285-F337 HydrophobicContact CG1-CE2 4.11Å; V285-F337 HydrophobicContact CG1-CZ 3.78Å; R288-F337 HydrophobicContact CB-CD2 3.52Å; R288-F337 HydrophobicContact CB-CE2 3.62Å; R288-F337 HydrophobicContact CB-CG 4.05Å; R288-F337 HydrophobicContact CB-CZ 4.24Å; R288-F337 HydrophobicContact CG-CD2 4.35Å; T289-F337 VanDerWaalsContact OG1-CE1 3.27Å; T289-F337 WeakPolarHBondContact OG1-CE1 3.44Å; T289-F337 WeakPolarHBondContact OG1-CZ 3.3Å; A333-F337 PolarHBondContact O-N 2.92Å; A333-F337 VanDerWaalsContact O-N 3.1Å; L334-F337 HydrophobicContact CD2-CD1 4.49Å; L334-F337 PolarHBondContact O-N 2.89Å; F337-A339 VanDerWaalsContact C-N 3.31Å; F337-A339 PolarHBondContact O-N 2.87Å; F337-V340 PolarHBondContact O-N 3.43Å; F337-N341 HydrophobicContact CE2-CB 4.28Å; F337-N341 WeakPolarHBondContact O-CB 3.42Å; F337-N341 PolarHBondContact O-N 3.15Å
338	A	90.9	Very high	90.2	Very high	56 Å²	56	53.8 Å²	53.8	46%	0.463	29%	0.286	S	S	.	.	H	α-helix	trans	-60.7	-41.1	176.8	0	0	0	0	0	111.7	L334 I335 E336 Y342	L334-A338 WeakPolarHBondContact O-CB 3.37Å; L334-A338 PolarHBondContact O-N 3.09Å; I335-A338 PolarHBondContact O-N 3.43Å; E336-A338 PolarHBondContact O-N 2.79Å; A338-Y342 WeakPolarHBondContact O-CB 3.42Å; A338-Y342 PolarHBondContact O-N 2.85Å
339	A	89.9	Confident	89.7	Confident	31 Å²	31	55.1 Å²	55.1	26%	0.256	28%	0.283	S	S	.	.	H	α-helix	trans	-65.6	-46.7	174.7	0	0	0	0	0	112	I335 E336 F337 N341 Y342 F343	I335-A339 WeakPolarHBondContact O-CB 3.39Å; I335-A339 PolarHBondContact O-N 2.84Å; E336-A339 PolarHBondContact O-N 2.71Å; F337-A339 VanDerWaalsContact C-N 3.31Å; F337-A339 PolarHBondContact O-N 2.87Å; A339-N341 VanDerWaalsContact C-N 3.34Å; A339-N341 PolarHBondContact O-N 3.33Å; A339-Y342 PolarHBondContact O-N 3Å; A339-F343 HydrophobicContact CB-CD2 4.39Å; A339-F343 HydrophobicContact CB-CE2 4.38Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 PolarHBondContact O-N 2.91Å
340	V	89.3	Confident	89	Confident	3 Å²	3	62.1 Å²	62.1	2%	0.018	31%	0.309	C	S	.	.	H	α-helix	trans	-58.4	-45.1	176.5	168.1	0	0	0	0	111.5	K282 E336 F337 T344 I518	K282-V340 HydrophobicContact CB-CG1 3.99Å; E336-V340 WeakPolarHBondContact O-CG2 3.35Å; E336-V340 PolarHBondContact O-N 2.84Å; E336-V340 VanDerWaalsContact OE1-CG2 3.24Å; E336-V340 WeakPolarHBondContact OE1-CG2 3.48Å; F337-V340 PolarHBondContact O-N 3.43Å; V340-T344 VanDerWaalsContact O-CB 3.26Å; V340-T344 WeakPolarHBondContact O-CB 3.47Å; V340-T344 PolarHBondContact O-N 3.45Å; V340-T344 PolarHBondContact O-OG1 3.45Å; V340-I518 HydrophobicContact CG2-CB 3.78Å; V340-I518 HydrophobicContact CG2-CD1 4.08Å; V340-I518 HydrophobicContact CG2-CG1 4.49Å; V340-I518 HydrophobicContact CG2-CG2 3.89Å
341	N	88.8	Confident	88.3	Confident	45 Å²	45	66.5 Å²	66.5	24%	0.241	33%	0.332	C	S	.	.	H	α-helix	trans	-63.1	-48.8	177.6	-169.1	10.7	0	0	0	110.9	F337 A339 F343 T344 N345	F337-N341 HydrophobicContact CE2-CB 4.28Å; F337-N341 WeakPolarHBondContact O-CB 3.42Å; F337-N341 PolarHBondContact O-N 3.15Å; A339-N341 VanDerWaalsContact C-N 3.34Å; A339-N341 PolarHBondContact O-N 3.33Å; N341-F343 PolarHBondContact O-N 3.17Å; N341-T344 PolarHBondContact O-N 3Å; N341-N345 WeakPolarHBondContact O-CB 3.49Å; N341-N345 VanDerWaalsContact O-CG 3.25Å; N341-N345 PolarHBondContact O-N 3.5Å; N341-N345 PolarHBondContact O-ND2 3.37Å; N341-N345 PolarHBondContact OD1-ND2 3.08Å
342	Y	89.2	Confident	87.5	Confident	164 Å²	164	68.7 Å²	68.7	64%	0.643	34%	0.341	S	S	*	.	H	α-helix	trans	-58.3	-50.4	177.5	179.1	-97.2	0	0	0	112.7	A338 A339 N345 A346	A338-Y342 WeakPolarHBondContact O-CB 3.42Å; A338-Y342 PolarHBondContact O-N 2.85Å; A339-Y342 PolarHBondContact O-N 3Å; Y342-N345 PolarHBondContact O-N 2.81Å; Y342-A346 WeakPolarHBondContact O-CB 3.35Å; Y342-A346 PolarHBondContact O-N 3.44Å
343	F	88.5	Confident	86.6	Confident	114 Å²	114	76 Å²	76	50%	0.5	36%	0.361	S	S	.	.	H	α-helix	trans	-66.9	-38.8	-179.7	-74.3	-62.2	0	0	0	112.4	A339 N341 A346 E347 I518	A339-F343 HydrophobicContact CB-CD2 4.39Å; A339-F343 HydrophobicContact CB-CE2 4.38Å; A339-F343 WeakPolarHBondContact O-CD2 3.48Å; A339-F343 PolarHBondContact O-N 2.91Å; N341-F343 PolarHBondContact O-N 3.17Å; F343-A346 PolarHBondContact O-N 2.67Å; F343-E347 WeakPolarHBondContact O-CG 3.42Å; F343-E347 PolarHBondContact O-N 2.92Å; F343-I518 HydrophobicContact CD2-CD1 3.66Å; F343-I518 HydrophobicContact CE2-CD1 4.22Å
344	T	85.9	Confident	85.5	Confident	23 Å²	23	83.1 Å²	83.1	14%	0.141	39%	0.392	C	S	.	.	H	α-helix	trans	-63	-44.4	176.7	-56.2	0	0	0	0	111	K282 V340 N341 E347 M348	K282-T344 HydrophobicContact CD-CG2 4.45Å; V340-T344 VanDerWaalsContact O-CB 3.26Å; V340-T344 WeakPolarHBondContact O-CB 3.47Å; V340-T344 PolarHBondContact O-N 3.45Å; V340-T344 PolarHBondContact O-OG1 3.45Å; N341-T344 PolarHBondContact O-N 3Å; T344-E347 PolarHBondContact O-N 2.62Å; T344-M348 WeakPolarHBondContact O-CG 3.49Å; T344-M348 PolarHBondContact O-N 3.24Å
345	N	85.7	Confident	83.7	Confident	71 Å²	71	87 Å²	87	38%	0.38	42%	0.42	S	S	.	.	H	α-helix	trans	-66.6	-40.2	176.7	-66.1	-31.4	0	0	0	112	N341 Y342 E347 M348 E349	N341-N345 WeakPolarHBondContact O-CB 3.49Å; N341-N345 VanDerWaalsContact O-CG 3.25Å; N341-N345 PolarHBondContact O-N 3.5Å; N341-N345 PolarHBondContact O-ND2 3.37Å; N341-N345 PolarHBondContact OD1-ND2 3.08Å; Y342-N345 PolarHBondContact O-N 2.81Å; N345-E347 VanDerWaalsContact C-N 3.33Å; N345-E347 PolarHBondContact O-N 3.46Å; N345-M348 PolarHBondContact O-N 2.81Å; N345-M348 WeakPolarHBondContact OD1-CE 3.35Å; N345-E349 WeakPolarHBondContact O-CG 3.49Å; N345-E349 PolarHBondContact O-N 3.42Å
346	A	84.9	Confident	81.9	Confident	31 Å²	31	87.2 Å²	87.2	26%	0.256	44%	0.435	S	S	.	.	H	α-helix	trans	-64	-35	175	0	0	0	0	0	112.8	Y342 F343 R350	Y342-A346 WeakPolarHBondContact O-CB 3.35Å; Y342-A346 PolarHBondContact O-N 3.44Å; F343-A346 PolarHBondContact O-N 2.67Å; A346-R350 WeakPolarHBondContact O-CB 3.45Å; A346-R350 WeakPolarHBondContact O-CD 3.37Å; A346-R350 WeakPolarHBondContact O-CG 3.45Å; A346-R350 PolarHBondContact O-N 3.1Å; A346-R350 VanDerWaalsContact O-N 3.09Å
347	E	84.4	Confident	79.6	Confident	114 Å²	114	96.4 Å²	96.4	53%	0.533	48%	0.475	S	S	.	.	H	α-helix	trans	-69.2	-43.2	171.7	-74.8	-172.6	164.4	0	0	111.9	F343 T344 N345 E349 R350 L351	F343-E347 WeakPolarHBondContact O-CG 3.42Å; F343-E347 PolarHBondContact O-N 2.92Å; T344-E347 PolarHBondContact O-N 2.62Å; N345-E347 VanDerWaalsContact C-N 3.33Å; N345-E347 PolarHBondContact O-N 3.46Å; E347-E349 PolarHBondContact O-N 2.95Å; E347-R350 PolarHBondContact O-N 3.14Å; E347-L351 WeakPolarHBondContact O-CG 3.26Å; E347-L351 PolarHBondContact O-N 2.89Å
348	M	81.8	Confident	77.3	Confident	76 Å²	76	100.3 Å²	100.3	37%	0.374	50%	0.503	S	S	.	.	H	α-helix	trans	-60.7	-43.7	175.1	-71.6	-159.1	-64.8	0	0	112.5	T344 N345 R350 L351 K352 M512	T344-M348 WeakPolarHBondContact O-CG 3.49Å; T344-M348 PolarHBondContact O-N 3.24Å; N345-M348 PolarHBondContact O-N 2.81Å; N345-M348 WeakPolarHBondContact OD1-CE 3.35Å; M348-R350 VanDerWaalsContact C-N 3.33Å; M348-R350 PolarHBondContact O-N 2.86Å; M348-L351 PolarHBondContact O-N 3.2Å; M348-L351 VanDerWaalsContact O-N 3.15Å; M348-K352 WeakPolarHBondContact O-CG 3.41Å; M348-K352 PolarHBondContact O-N 3.15Å; M348-M512 HydrophobicContact CG-CE 4.15Å
349	E	83.5	Confident	75.6	Confident	77 Å²	77	103.2 Å²	103.2	36%	0.36	52%	0.517	S	S	.	.	H	α-helix	trans	-65.1	-35.1	175.2	-72.3	-55.3	126.1	0	0	112.6	N345 E347 L351 K352 R353	N345-E349 WeakPolarHBondContact O-CG 3.49Å; N345-E349 PolarHBondContact O-N 3.42Å; E347-E349 PolarHBondContact O-N 2.95Å; E349-L351 VanDerWaalsContact C-N 3.32Å; E349-K352 WeakPolarHBondContact OE1-CD 3.49Å; E349-K352 WeakPolarHBondContact OE1-CE 3.39Å; E349-K352 IonicContact OE1-NZ 2.68Å; E349-K352 PolarHBondContact OE1-NZ 3.31Å; E349-R353 WeakPolarHBondContact O-CB 3.39Å; E349-R353 VanDerWaalsContact O-CG 3.25Å; E349-R353 WeakPolarHBondContact O-CG 3.42Å; E349-R353 PolarHBondContact O-N 3.3Å; E349-R353 VanDerWaalsContact O-N 3.17Å
350	R	82.1	Confident	73.5	Confident	179 Å²	179	107.7 Å²	107.7	68%	0.675	54%	0.544	S	S	*	.	H	α-helix	trans	-68.1	-29.7	172.2	-76	168.3	175.6	-173.9	-1.3	113	A346 E347 M348	A346-R350 WeakPolarHBondContact O-CB 3.45Å; A346-R350 WeakPolarHBondContact O-CD 3.37Å; A346-R350 WeakPolarHBondContact O-CG 3.45Å; A346-R350 PolarHBondContact O-N 3.1Å; A346-R350 VanDerWaalsContact O-N 3.09Å; E347-R350 PolarHBondContact O-N 3.14Å; M348-R350 VanDerWaalsContact C-N 3.33Å; M348-R350 PolarHBondContact O-N 2.86Å
351	L	79.6	Confident	71.2	Confident	92 Å²	92	111.6 Å²	111.6	48%	0.482	58%	0.576	S	S	.	*	H	α-helix	trans	-74.7	-46.8	174.6	-71	168.9	0	0	0	111.2	E347 M348 E349 R353 K354 M512	E347-L351 WeakPolarHBondContact O-CG 3.26Å; E347-L351 PolarHBondContact O-N 2.89Å; M348-L351 PolarHBondContact O-N 3.2Å; M348-L351 VanDerWaalsContact O-N 3.15Å; E349-L351 VanDerWaalsContact C-N 3.32Å; L351-R353 PolarHBondContact O-N 3.01Å; L351-K354 PolarHBondContact O-N 3.18Å; L351-K354 VanDerWaalsContact O-N 3.08Å; L351-M512 HydrophobicContact CD1-CE 4.2Å; L351-M512 HydrophobicContact CD1-SD 3.93Å
352	K	78.3	Confident	69.1	Low	152 Å²	152	115.5 Å²	115.5	66%	0.661	60%	0.604	S	S	*	*	H	α-helix	trans	-55.3	-34.2	174.3	-69.5	175.2	-170.8	173	0	113.1	M348 E349 K354	M348-K352 WeakPolarHBondContact O-CG 3.41Å; M348-K352 PolarHBondContact O-N 3.15Å; E349-K352 WeakPolarHBondContact OE1-CD 3.49Å; E349-K352 WeakPolarHBondContact OE1-CE 3.39Å; E349-K352 IonicContact OE1-NZ 2.68Å; E349-K352 PolarHBondContact OE1-NZ 3.31Å; K352-K354 VanDerWaalsContact C-N 3.34Å; K352-K354 PolarHBondContact O-N 3.14Å
353	R	75.1	Confident	66.5	Low	201 Å²	201	116.6 Å²	116.6	76%	0.758	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-3.5	-179.8	-70.8	175.7	-171.9	-149.5	1.4	115	E349 L351 P355	E349-R353 WeakPolarHBondContact O-CB 3.39Å; E349-R353 VanDerWaalsContact O-CG 3.25Å; E349-R353 WeakPolarHBondContact O-CG 3.42Å; E349-R353 PolarHBondContact O-N 3.3Å; E349-R353 VanDerWaalsContact O-N 3.17Å; L351-R353 PolarHBondContact O-N 3.01Å; R353-P355 WeakPolarHBondContact O-CD 3.47Å
354	K	68.8	Low	64	Low	153 Å²	153	118 Å²	118	67%	0.665	63%	0.633	S	S	*	*	S	Bend	trans	-91.8	113.7	172.9	-73.7	179.7	-179.9	-178	0	109.6	L351 K352	L351-K354 PolarHBondContact O-N 3.18Å; L351-K354 VanDerWaalsContact O-N 3.08Å; K352-K354 VanDerWaalsContact C-N 3.34Å; K352-K354 PolarHBondContact O-N 3.14Å
355	P	54.1	Low	61.6	Low	121 Å²	121	123 Å²	123	79%	0.786	66%	0.664	S	S	*	*			trans	-63	139.6	174.7	26.7	-33.7	0	0	0	110.3	R353 K357	R353-P355 WeakPolarHBondContact O-CD 3.47Å; P355-K357 PolarHBondContact O-N 3.28Å
356	A	55.2	Low	59.1	Low	96 Å²	96	125.6 Å²	125.6	79%	0.793	69%	0.685	S	S	*	*			trans	-64.1	109	178.9	0	0	0	0	0	110.1	C358	A356-C358 PolarHBondContact O-N 3.03Å
357	K	46.2	Very low	56.9	Low	207 Å²	207	130.3 Å²	130.3	90%	0.9	71%	0.71	S	S	*	*			trans	-84.4	80.9	-178.3	-160.3	173.9	-171.8	179.8	0	109.8	P355	P355-K357 PolarHBondContact O-N 3.28Å
358	C	40.7	Very low	54.2	Low	101 Å²	101	134.7 Å²	134.7	68%	0.682	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-55.1	140.4	176	-63.1	0	0	0	0	111.2	A356	A356-C358 PolarHBondContact O-N 3.03Å
359	P	56.3	Low	51.8	Low	116 Å²	116	137.4 Å²	137.4	75%	0.753	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.3	166.9	-18.5	31.7	0	0	0	110.6
360	P	45.9	Very low	49.1	Very low	126 Å²	126	142 Å²	142	82%	0.818	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-64.1	136.2	169.5	28.6	-33.6	0	0	0	109.9
361	A	40.5	Very low	46.5	Very low	85 Å²	85	141.2 Å²	141.2	70%	0.702	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.5	144.5	175.2	0	0	0	0	0	110.8	Q363	A361-Q363 PolarHBondContact O-N 3.24Å
362	P	44.8	Very low	44.1	Very low	127 Å²	127	143.4 Å²	143.4	83%	0.825	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-60.7	131.2	172.5	-20.8	32.7	0	0	0	110.9
363	Q	34.4	Very low	41.7	Very low	187 Å²	187	143 Å²	143	87%	0.874	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-76	130.7	173.5	-68.8	-178.1	-10.4	0	0	110.1	A361 T365	A361-Q363 PolarHBondContact O-N 3.24Å; Q363-T365 PolarHBondContact O-N 2.83Å
364	T	37	Very low	39.3	Very low	144 Å²	144	141.3 Å²	141.3	88%	0.883	79%	0.786	S	S	*	*			trans	-80.8	112.7	173.6	28	0	0	0	0	111.1
365	T	34.1	Very low	37.3	Very low	126 Å²	126	138.9 Å²	138.9	77%	0.773	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-94.7	142.6	161.3	48.6	0	0	0	0	110.3	Q363	Q363-T365 PolarHBondContact O-N 2.83Å
366	P	34.3	Very low	36.1	Very low	127 Å²	127	139.3 Å²	139.3	83%	0.825	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-73.5	157.8	-172	30.3	-36.3	0	0	0	113.5
367	V	37.7	Very low	34.8	Very low	129 Å²	129	142.2 Å²	142.2	78%	0.782	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-67.6	131.3	177.2	177.5	0	0	0	0	111.2	V369	V367-V369 HydrophobicContact CG1-CG2 4.16Å
368	K	27.9	Very low	34	Very low	206 Å²	206	140.2 Å²	140.2	90%	0.896	77%	0.77	S	S	*	*			trans	-130.3	137.3	145.5	-90.4	-166.1	170.9	-171.3	0	109.3
369	V	30.5	Very low	33.3	Very low	133 Å²	133	140.6 Å²	140.6	81%	0.806	77%	0.765	S	S	*	*			trans	-87.9	155.6	175.8	177.2	0	0	0	0	109.5	V367	V367-V369 HydrophobicContact CG1-CG2 4.16Å
370	K	28.2	Very low	32.6	Very low	173 Å²	173	140 Å²	140	75%	0.752	76%	0.761	S	S	*	*			trans	-64.2	150	-177.2	-176.8	-173.6	-176.9	-168.4	0	113.2
371	D	26.9	Very low	31.7	Very low	164 Å²	164	139.6 Å²	139.6	88%	0.877	75%	0.752	S	S	*	*			trans	-135.1	-179	149.8	-94.5	-45.7	0	0	0	109.8
372	M	28.7	Very low	31.3	Very low	137 Å²	137	142.4 Å²	142.4	68%	0.675	76%	0.761	S	S	*	*			trans	-121.7	179.1	-147.4	-155.6	157.9	72.8	0	0	115
373	E	27.6	Very low	30.6	Very low	144 Å²	144	144.1 Å²	144.1	67%	0.673	76%	0.763	S	S	*	*			trans	68.1	148.9	173.6	-96.3	73.9	-131.4	0	0	116.4
374	E	26.3	Very low	30.5	Very low	165 Å²	165	138.9 Å²	138.9	77%	0.771	76%	0.759	S	S	*	*			cis	-164.1	169.4	-8.2	-155.6	-162.2	158.2	0	0	112.3
375	V	27.1	Very low	30.2	Very low	102 Å²	102	139 Å²	139	62%	0.618	76%	0.755	S	S	*	*			trans	76.8	128.1	155.4	-151	0	0	0	0	123.2
376	L	28.5	Very low	30.3	Very low	130 Å²	130	140.2 Å²	140.2	68%	0.681	76%	0.756	S	S	*	*			trans	77.6	115.5	151.1	-107.2	57.4	0	0	0	124.6
377	Q	27.9	Very low	30.2	Very low	157 Å²	157	144.8 Å²	144.8	73%	0.734	76%	0.756	S	S	*	*				50.6	145.4	127.8	-68.1	170.6	-5.7	0	0	120.7
378	H	28	Very low	30	Very low	165 Å²	165	148 Å²	148	76%	0.764	76%	0.76	S	S	*	*			cis	-151.1	145.1	17.2	-149.1	-67.8	0	0	0	110.9
379	N	26.3	Very low	30	Very low	109 Å²	109	148.6 Å²	148.6	58%	0.583	76%	0.756	S	S	*	*			trans	-113.5	156.9	165.3	-139	41.2	0	0	0	107.4	D381	N379-D381 VanDerWaalsContact ND2-CG 3.29Å; N379-D381 PolarHBondContact ND2-OD1 3.09Å; N379-D381 PolarHBondContact ND2-OD2 2.91Å
380	P	41.7	Very low	30	Very low	104 Å²	104	148.9 Å²	148.9	68%	0.675	75%	0.751	S	S	*	*				-144.6	146.4	56.1	38	-18	0	0	0	118
381	D	27.5	Very low	30	Very low	118 Å²	118	147.3 Å²	147.3	63%	0.631	75%	0.751	S	S	*	*				32.5	129.1	124	-41.1	-43.3	0	0	0	121.1	N379	N379-D381 VanDerWaalsContact ND2-CG 3.29Å; N379-D381 PolarHBondContact ND2-OD1 3.09Å; N379-D381 PolarHBondContact ND2-OD2 2.91Å
382	T	31.9	Very low	30	Very low	144 Å²	144	149.4 Å²	149.4	88%	0.883	75%	0.748	S	S	*	*			trans	-147	130.9	134.6	-48.2	0	0	0	0	110.9
383	N	30.3	Very low	30	Very low	162 Å²	162	148.7 Å²	148.7	87%	0.866	74%	0.744	S	S	*	*			trans	-77.5	147.5	174.8	-83.2	-64.9	0	0	0	111.8
384	G	31.9	Very low	30	Very low	77 Å²	77	147 Å²	147	79%	0.794	75%	0.748	S	S	*	*			trans	-161.4	84.2	-179.9	0	0	0	0	0	114.7
385	N	32	Very low	30.1	Very low	148 Å²	148	145.5 Å²	145.5	79%	0.791	74%	0.741	S	S	*	*			trans	-75.4	161.4	-174.7	-110.4	-59.9	0	0	0	115.2
386	L	34.3	Very low	30.1	Very low	151 Å²	151	148.1 Å²	148.1	79%	0.791	75%	0.746	S	S	*	*			trans	81.4	122.5	143.7	-83	164.1	0	0	0	123.4
387	R	33.3	Very low	30	Very low	222 Å²	222	147.1 Å²	147.1	84%	0.838	74%	0.742	S	S	*	*				98.9	88.3	122.6	-157.6	-178.9	-151.6	-171.9	6.4	121.9
388	K	32.4	Very low	30	Very low	198 Å²	198	148 Å²	148	86%	0.861	75%	0.75	S	S	*	*				54.4	118	113.6	-161.1	-177.7	-171	174.8	0	120
389	R	29.6	Very low	30	Very low	217 Å²	217	146.7 Å²	146.7	82%	0.819	74%	0.744	S	S	*	*			trans	128.8	94.5	132.5	-163.8	176.5	-163.8	-171.3	3.7	119.2
390	M	29.2	Very low	29.9	Very low	140 Å²	140	149.7 Å²	149.7	69%	0.69	75%	0.752	S	S	*	*				61	105	121	-157.4	174.4	81	0	0	123.1
391	N	29.3	Very low	29.1	Very low	140 Å²	140	149 Å²	149	75%	0.749	76%	0.755	S	S	*	*			trans	78.4	155.2	134.5	-63.8	11.1	0	0	0	124.1
392	Y	27.3	Very low	29	Very low	207 Å²	207	151.9 Å²	151.9	81%	0.812	77%	0.765	S	S	*	*			trans	79.3	147.9	163.6	-100.9	-133.7	0	0	0	117.1
393	M	28.5	Very low	28.6	Very low	123 Å²	123	149.6 Å²	149.6	61%	0.606	75%	0.754	S	S	*	*			cis	-160.1	152.1	2	-163.5	-179.2	98.6	0	0	112.8
394	S	26.9	Very low	28.4	Very low	107 Å²	107	151.8 Å²	151.8	75%	0.748	75%	0.752	S	S	*	*			trans	159.8	127.1	151.6	53.8	0	0	0	0	109.3
395	Q	27.3	Very low	28.1	Very low	135 Å²	135	152.8 Å²	152.8	63%	0.631	75%	0.747	S	S	*	*			cis	65.2	130.7	15.7	-109.1	-171	-31.2	0	0	114
396	Q	27.6	Very low	27.9	Very low	156 Å²	156	152.5 Å²	152.5	73%	0.729	75%	0.75	S	S	*	*			cis	-144.4	141	27	-74.5	-170.8	-104.8	0	0	112
397	D	26	Very low	27.5	Very low	110 Å²	110	149.8 Å²	149.8	59%	0.588	75%	0.75	S	S	*	*				81.9	134.3	96.8	-63.6	-42.5	0	0	0	118
398	I	29	Very low	27.3	Very low	174 Å²	174	143.4 Å²	143.4	89%	0.892	75%	0.745	S	S	*	*			trans	-169.8	158.3	143.3	-104	162.1	0	0	0	110.5
399	Q	27.8	Very low	27.2	Very low	138 Å²	138	141.1 Å²	141.1	65%	0.645	75%	0.748	S	S	*	*			trans	-144.9	171.9	-172.8	-45.4	-177.8	20.7	0	0	109.5
400	K	24.1	Very low	27.1	Very low	173 Å²	173	134.1 Å²	134.1	75%	0.752	74%	0.743	S	S	*	*			cis	-166	155.2	10.4	-147.9	164.2	-165.8	145.3	0	111.7
401	A	24.7	Very low	27.1	Very low	90 Å²	90	133.9 Å²	133.9	74%	0.744	75%	0.749	S	S	*	*			trans	62.6	168.7	164	0	0	0	0	0	116.1
402	E	25.2	Very low	27.1	Very low	178 Å²	178	134 Å²	134	83%	0.832	76%	0.755	S	S	*	*			cis	-156.3	159.3	5.1	-153.8	166.3	-127.8	0	0	113.2
403	S	24.3	Very low	27.2	Very low	95 Å²	95	135.2 Å²	135.2	66%	0.664	76%	0.758	S	S	*	*			trans	89.4	153.4	145.4	86.1	0	0	0	0	124.9
404	Y	24.7	Very low	27.1	Very low	209 Å²	209	140.3 Å²	140.3	82%	0.82	77%	0.77	S	S	*	*			trans	63.6	94.5	157.5	-71.1	-70.8	0	0	0	126.7
405	S	25.8	Very low	27.5	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	77%	0.77	S	S	*	*				38.3	138.9	123	69.8	0	0	0	0	125.3
406	T	27.6	Very low	27.8	Very low	141 Å²	141	142.3 Å²	142.3	87%	0.865	78%	0.779	S	S	*	*			trans	-155	144.9	136.6	-20.6	0	0	0	0	113.4
407	A	28	Very low	27.8	Very low	95 Å²	95	142.9 Å²	142.9	79%	0.785	78%	0.782	S	S	*	*			trans	15	168	152.8	0	0	0	0	0	124.7
408	A	28.1	Very low	27.9	Very low	87 Å²	87	143.8 Å²	143.8	72%	0.719	80%	0.797	S	S	*	*			cis	-179.7	131.3	-35.2	0	0	0	0	0	111.3
409	T	29.5	Very low	27.8	Very low	151 Å²	151	139.2 Å²	139.2	93%	0.926	79%	0.792	S	S	*	*			trans	178.1	135.6	153.9	14.1	0	0	0	0	107.7
410	G	27.6	Very low	27.7	Very low	69 Å²	69	141.6 Å²	141.6	71%	0.711	80%	0.803	S	S	*	*				84.1	124.4	82.3	0	0	0	0	0	110.7
411	V	29.9	Very low	27.9	Very low	136 Å²	136	138.7 Å²	138.7	82%	0.824	81%	0.805	S	S	*	*			cis	-156.8	137.6	23.4	164.9	0	0	0	0	112.4
412	T	29.6	Very low	28	Very low	142 Å²	142	139 Å²	139	87%	0.871	80%	0.802	S	S	*	*			trans	63.7	157.5	155.6	-55.4	0	0	0	0	121.2
413	R	28.8	Very low	28.1	Very low	233 Å²	233	135.5 Å²	135.5	88%	0.879	80%	0.797	S	S	*	*			trans	-129.5	158.1	-155.8	177.6	178.9	172.3	174	-0.8	112.8
414	R	27.6	Very low	28.3	Very low	229 Å²	229	136 Å²	136	86%	0.864	80%	0.8	S	S	*	*			trans	-74.8	168.4	176.3	-67.3	178.2	168	177.6	-4.3	114.3
415	Q	33.6	Very low	28.5	Very low	158 Å²	158	132.7 Å²	132.7	74%	0.738	80%	0.802	S	S	*	*			trans	93.6	133.5	137.6	-162.1	172.8	15.5	0	0	118.5
416	P	34.5	Very low	28.5	Very low	126 Å²	126	131.6 Å²	131.6	82%	0.818	81%	0.807	S	S	*	*			trans	-113	169.9	145.6	37.8	-30.1	0	0	0	111.9
417	Q	28.1	Very low	28.6	Very low	169 Å²	169	129.8 Å²	129.8	79%	0.79	80%	0.8	S	S	*	*			trans	-146.7	157.3	-177.8	-161.4	-178.6	18.3	0	0	109.8
418	S	27.8	Very low	28.7	Very low	129 Å²	129	132.5 Å²	132.5	90%	0.902	81%	0.807	S	S	*	*			trans	71.4	150.6	165	76.7	0	0	0	0	119.4
419	G	26.4	Very low	28.7	Very low	78 Å²	78	131.2 Å²	131.2	80%	0.804	80%	0.802	S	S	*	*			trans	173.4	125	175.6	0	0	0	0	0	108.4
420	Q	26.9	Very low	28.7	Very low	187 Å²	187	131.3 Å²	131.3	87%	0.874	80%	0.797	S	S	*	*			trans	-150.5	168	-170.1	-146.2	179.6	21.9	0	0	109.9
421	S	27.2	Very low	28.9	Very low	113 Å²	113	133.7 Å²	133.7	79%	0.79	79%	0.793	S	S	*	*			trans	71.4	150.1	176.8	78.9	0	0	0	0	116.4
422	S	27.8	Very low	29	Very low	96 Å²	96	134.3 Å²	134.3	67%	0.671	79%	0.79	S	S	*	*			cis	-171.1	138.8	-17.8	45.4	0	0	0	0	114.9
423	S	27.4	Very low	29	Very low	105 Å²	105	134.8 Å²	134.8	73%	0.734	79%	0.786	S	S	*	*			trans	64.9	160.4	136.8	67.5	0	0	0	0	124.5
424	S	28.4	Very low	29.2	Very low	105 Å²	105	131.2 Å²	131.2	73%	0.734	78%	0.783	S	S	*	*			trans	86.2	152.6	159	77.5	0	0	0	0	119.7
425	T	27.7	Very low	29.9	Very low	139 Å²	139	125.7 Å²	125.7	85%	0.853	78%	0.777	S	S	*	*				-166.8	140.9	-63.3	17.9	0	0	0	0	112.4
426	G	26.9	Very low	29.8	Very low	76 Å²	76	126.6 Å²	126.6	78%	0.784	78%	0.781	S	S	*	*			trans	70.8	174.9	162.5	0	0	0	0	0	117.3
427	S	29.7	Very low	29.4	Very low	103 Å²	103	126.2 Å²	126.2	72%	0.72	78%	0.781	S	S	*	*			cis	-174.9	162.8	-24.4	49.7	0	0	0	0	110.1
428	T	28.9	Very low	29.6	Very low	152 Å²	152	123.5 Å²	123.5	93%	0.933	78%	0.781	S	S	*	*			trans	67.2	153.5	179	72.1	0	0	0	0	115.5
429	G	27.9	Very low	30	Very low	60 Å²	60	123.7 Å²	123.7	62%	0.619	78%	0.779	S	S	*	*			cis	154.4	139.8	-10.2	0	0	0	0	0	112
430	D	30.5	Very low	30	Very low	153 Å²	153	123.2 Å²	123.2	82%	0.818	77%	0.774	S	S	*	*			trans	68	150.3	159	-79.3	27.2	0	0	0	118.4
431	N	31	Very low	30.8	Very low	118 Å²	118	120.2 Å²	120.2	63%	0.631	77%	0.771	S	S	*	*			cis	-163.9	159.5	-9.1	-138.7	-38.6	0	0	0	114.9
432	I	31.8	Very low	30.9	Very low	149 Å²	149	119.2 Å²	119.2	76%	0.764	77%	0.77	S	S	*	*			trans	60.5	175.9	168.7	-27.3	158.8	0	0	0	112.4
433	I	30.3	Very low	30.9	Very low	152 Å²	152	120.4 Å²	120.4	78%	0.779	78%	0.778	S	S	*	*			cis	-140.8	153.1	10.3	-48.1	161.1	0	0	0	111.4
434	L	32.1	Very low	31.2	Very low	159 Å²	159	123.4 Å²	123.4	83%	0.832	78%	0.78	S	S	*	*			trans	-125.3	148.4	164.1	-96.7	170.3	0	0	0	108.6
435	P	44.1	Very low	31.5	Very low	113 Å²	113	124.3 Å²	124.3	73%	0.734	78%	0.784	S	S	*	*				-156.3	169	93	40.7	-21.4	0	0	0	118.7
436	H	30.1	Very low	31.5	Very low	177 Å²	177	124.3 Å²	124.3	82%	0.819	78%	0.778	S	S	*	*			trans	-5	143.6	154.7	-76.3	-93.6	0	0	0	121.6
437	S	26.8	Very low	31.4	Very low	118 Å²	118	127.2 Å²	127.2	83%	0.825	78%	0.781	S	S	*	*				-171.2	158.7	102.4	38.1	0	0	0	0	113.7
438	S	31.7	Very low	31.4	Very low	112 Å²	112	127.1 Å²	127.1	78%	0.783	78%	0.781	S	S	*	*			trans	-120.9	160.9	170	-51	0	0	0	0	109.1
439	P	35.8	Very low	31.4	Very low	132 Å²	132	129.5 Å²	129.5	86%	0.857	78%	0.779	S	S	*	*				-147.5	168.4	118.7	38.3	-24	0	0	0	115.3
440	G	26.3	Very low	31.4	Very low	68 Å²	68	132.8 Å²	132.8	70%	0.701	79%	0.787	S	S	*	*			trans	-121	-156.4	152.2	0	0	0	0	0	109.2
441	P	45.6	Very low	31.4	Very low	125 Å²	125	131.5 Å²	131.5	81%	0.812	79%	0.785	S	S	*	*			cis	-136.5	-172.6	-2	42.6	-25.5	0	0	0	114.7
442	A	27.4	Very low	31.3	Very low	92 Å²	92	133.4 Å²	133.4	76%	0.76	79%	0.794	S	S	*	*			trans	65.3	119.6	149.1	0	0	0	0	0	121.9
443	S	28.7	Very low	31.1	Very low	121 Å²	121	131.1 Å²	131.1	85%	0.846	79%	0.791	S	S	*	*				-173.4	145.8	119.7	37.1	0	0	0	0	111.9
444	Q	33	Very low	31.2	Very low	167 Å²	167	130 Å²	130	78%	0.78	79%	0.791	S	S	*	*			trans	-95.1	165.5	159.2	-76.1	-174	-19.1	0	0	109.2
445	P	35.3	Very low	31.1	Very low	125 Å²	125	131.4 Å²	131.4	81%	0.812	79%	0.79	S	S	*	*				-136.3	159.1	111.7	37.7	-29.7	0	0	0	114.8
446	N	27.9	Very low	30.5	Very low	138 Å²	138	132.5 Å²	132.5	74%	0.738	79%	0.79	S	S	*	*			trans	-72.2	148.7	166.5	-70.9	-46.4	0	0	0	111.6
447	T	25.3	Very low	30.9	Very low	138 Å²	138	129.9 Å²	129.9	85%	0.847	79%	0.787	S	S	*	*			trans	-158.8	151.6	132.5	0.8	0	0	0	0	112
448	S	29.5	Very low	31.5	Very low	101 Å²	101	129.8 Å²	129.8	71%	0.706	78%	0.783	S	S	*	*			trans	-106.1	137	-176.7	53.3	0	0	0	0	111.7
449	F	29.4	Very low	31.9	Very low	202 Å²	202	130.6 Å²	130.6	89%	0.886	79%	0.786	S	S	*	*			trans	-143.6	125	158.6	-92.4	-73	0	0	0	112.7
450	T	27.8	Very low	32	Very low	129 Å²	129	128.6 Å²	128.6	79%	0.791	78%	0.78	S	S	*	*			trans	-111.3	127.8	161.8	45.3	0	0	0	0	108.9
451	T	28.7	Very low	32.8	Very low	126 Å²	126	131.1 Å²	131.1	77%	0.773	79%	0.785	S	S	*	*			trans	-173.9	144.5	138.4	16.7	0	0	0	0	113.7
452	L	29.8	Very low	32.5	Very low	158 Å²	158	131.4 Å²	131.4	83%	0.827	79%	0.786	S	S	*	*			trans	69.3	107.7	143.3	-67.9	166.6	0	0	0	123.1
453	S	27.2	Very low	32.6	Very low	100 Å²	100	133.6 Å²	133.6	70%	0.699	79%	0.79	S	S	*	*				95.5	110.3	112.5	-151.9	0	0	0	0	122.3
454	V	31.8	Very low	32.9	Very low	128 Å²	128	133.9 Å²	133.9	78%	0.776	79%	0.787	S	S	*	*			trans	46.4	108.5	133.6	-173	0	0	0	0	120.3
455	K	30.1	Very low	33	Very low	189 Å²	189	131.5 Å²	131.5	82%	0.822	79%	0.786	S	S	*	*			trans	161.6	154.1	141.2	-95.7	-174.3	176.6	178.3	0	109.3
456	N	32.4	Very low	32.6	Very low	136 Å²	136	132 Å²	132	73%	0.727	79%	0.787	S	S	*	*			cis	-157.6	158.7	-17.6	-128.3	17.1	0	0	0	109.9
457	T	37.3	Very low	33	Very low	122 Å²	122	132.9 Å²	132.9	75%	0.748	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-78	149.6	169.7	-18.1	0	0	0	0	111.8
458	P	41.1	Very low	33.6	Very low	117 Å²	117	132.2 Å²	132.2	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-74.2	142.3	171.3	-15.6	31.3	0	0	0	112.8
459	P	39.8	Very low	33.5	Very low	128 Å²	128	131.9 Å²	131.9	83%	0.831	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-92	167.3	178.8	36.4	-35.6	0	0	0	114.4
460	A	37.3	Very low	33.4	Very low	90 Å²	90	128.7 Å²	128.7	74%	0.744	78%	0.784	S	S	*	*	P	Polyproline II helix	trans	-86.6	161.1	178.5	0	0	0	0	0	113.5
461	P	44.1	Very low	33.4	Very low	122 Å²	122	130.3 Å²	130.3	79%	0.792	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-72.4	155.2	177.7	30.1	-36	0	0	0	113.5
462	P	37.9	Very low	33.2	Very low	130 Å²	130	130.1 Å²	130.1	84%	0.844	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-88.6	155.3	-167.1	34.9	-37.1	0	0	0	115.4
463	T	31	Very low	33.1	Very low	138 Å²	138	131.5 Å²	131.5	85%	0.847	79%	0.788	S	S	*	*			trans	-109	159.5	168.6	49	0	0	0	0	112.3
464	T	35.2	Very low	33.8	Very low	128 Å²	128	131.8 Å²	131.8	79%	0.785	79%	0.787	S	S	*	*			trans	-59.3	142.7	-178.3	-44.2	0	0	0	0	114.1
465	P	34.2	Very low	33.5	Very low	117 Å²	117	132.1 Å²	132.1	76%	0.76	79%	0.79	S	S	*	*			trans	-85.6	152.8	175.9	34.2	-35.8	0	0	0	114.2
466	T	27.5	Very low	33.2	Very low	134 Å²	134	127.1 Å²	127.1	82%	0.822	78%	0.784	S	S	*	*			trans	-145.4	117.7	179.6	-55	0	0	0	0	111.6
467	I	35.8	Very low	32.8	Very low	158 Å²	158	128.3 Å²	128.3	81%	0.81	79%	0.791	S	S	*	*			trans	-158.2	143.9	174.2	-45.9	177.5	0	0	0	109
468	P	38	Very low	32.4	Very low	124 Å²	124	127.6 Å²	127.6	81%	0.805	79%	0.791	S	S	*	*			cis	-120.4	-157.8	-34.3	39.4	-22.6	0	0	0	110.6
469	A	27.1	Very low	31.6	Very low	93 Å²	93	126.9 Å²	126.9	77%	0.769	79%	0.788	S	S	*	*			trans	-130.5	150.6	173.7	0	0	0	0	0	112.5
470	N	26.5	Very low	31	Very low	135 Å²	135	128 Å²	128	72%	0.722	79%	0.786	S	S	*	*				-165.9	143.1	124.6	-138.8	1.3	0	0	0	115.8
471	Q	28	Very low	30.8	Very low	164 Å²	164	132.2 Å²	132.2	77%	0.766	79%	0.791	S	S	*	*			trans	61.7	142.6	147.8	-83	167	11.5	0	0	125.8
472	S	26.2	Very low	30.1	Very low	121 Å²	121	133.4 Å²	133.4	85%	0.846	79%	0.791	S	S	*	*			trans	87.8	120.5	157.2	66.8	0	0	0	0	121.5
473	Q	26.5	Very low	29.6	Very low	188 Å²	188	134.5 Å²	134.5	88%	0.879	79%	0.788	S	S	*	*			trans	-102.1	-179.9	157	-75	178.6	-55.6	0	0	108.5
474	P	41.9	Very low	29.5	Very low	105 Å²	105	136.5 Å²	136.5	68%	0.682	79%	0.793	S	S	*	*			cis	-127.1	176.3	-16.3	33.3	-16.2	0	0	0	113.3
475	T	25	Very low	29.2	Very low	135 Å²	135	133.5 Å²	133.5	83%	0.828	79%	0.787	S	S	*	*				170.6	152.3	117.9	32.4	0	0	0	0	114.2
476	A	24.9	Very low	29.9	Very low	84 Å²	84	134.1 Å²	134.1	69%	0.694	79%	0.791	S	S	*	*			trans	32.5	131.2	146.7	0	0	0	0	0	124.5
477	D	23.5	Very low	29.8	Very low	162 Å²	162	138.9 Å²	138.9	87%	0.866	79%	0.794	S	S	*	*			trans	75.8	160.8	130.8	-69.3	-22.7	0	0	0	124.3
478	S	28.1	Very low	29.4	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	79%	0.794	S	S	*	*			trans	-47.7	150.6	-171	55.8	0	0	0	0	116.3
479	S	26	Very low	28.9	Very low	102 Å²	102	142.2 Å²	142.2	71%	0.713	80%	0.8	S	S	*	*				179.7	167.6	84.4	44.5	0	0	0	0	114.2
480	L	27.2	Very low	28.9	Very low	151 Å²	151	146.2 Å²	146.2	79%	0.791	80%	0.802	S	S	*	*			trans	51.9	116	150.5	-74.1	161.6	0	0	0	120.4
481	Q	32.8	Very low	29.1	Very low	178 Å²	178	146.4 Å²	146.4	83%	0.832	80%	0.802	S	S	*	*			trans	-52.9	141.3	133.3	-81.1	87	-8.4	0	0	110.5
482	D	29	Very low	29	Very low	148 Å²	148	147.5 Å²	147.5	79%	0.791	81%	0.807	S	S	*	*			trans	-155	175	132.5	-140.6	-31.3	0	0	0	111.7
483	L	27.9	Very low	29.1	Very low	152 Å²	152	149.5 Å²	149.5	80%	0.796	81%	0.807	S	S	*	*			trans	64.9	72.1	167	-68.5	153.3	0	0	0	116.3
484	L	27.4	Very low	29.2	Very low	181 Å²	181	149.7 Å²	149.7	95%	0.948	81%	0.81	S	S	*	*				-164.5	115.4	103.4	-104.9	168.5	0	0	0	114.2
485	G	30.2	Very low	28.5	Very low	64 Å²	64	148.1 Å²	148.1	66%	0.66	81%	0.814	S	S	*	*			trans	178	-171.6	166.2	0	0	0	0	0	108.8
486	P	47.4	Very low	28.5	Very low	131 Å²	131	150.9 Å²	150.9	85%	0.851	81%	0.814	S	S	*	*			cis	-123	-172.5	-28.9	39.2	-26.2	0	0	0	110.3
487	R	26.4	Very low	28.5	Very low	233 Å²	233	153.6 Å²	153.6	88%	0.879	82%	0.817	S	S	*	*			trans	-152	139.3	155.7	-126.6	-171.2	179	-168.5	-0.5	114.2
488	L	26.8	Very low	28.6	Very low	153 Å²	153	154 Å²	154	80%	0.801	81%	0.814	S	S	*	*			trans	61.9	86.8	176.1	-70	93.8	0	0	0	117.2
489	E	28	Very low	28.7	Very low	199 Å²	199	154.2 Å²	154.2	93%	0.93	81%	0.812	S	S	*	*				-118.6	148.3	119.6	-79.5	-165	148	0	0	109
490	H	28	Very low	29.2	Very low	177 Å²	177	158.7 Å²	158.7	82%	0.819	82%	0.819	S	S	*	*			trans	-162.2	146.8	170.2	-151.4	-71.1	0	0	0	106.9
491	I	28.9	Very low	29.2	Very low	140 Å²	140	160.3 Å²	160.3	72%	0.718	82%	0.823	S	S	*	*			trans	73.2	120.9	-174.7	-48.7	171.5	0	0	0	110.5
492	Q	27.8	Very low	29.2	Very low	187 Å²	187	157 Å²	157	87%	0.874	82%	0.819	S	S	*	*			cis	-152	157.7	9.3	-131.2	154.2	1.8	0	0	111.7
493	L	27.4	Very low	29.2	Very low	163 Å²	163	155.8 Å²	155.8	85%	0.853	82%	0.819	S	S	*	*			trans	-134.8	115	173.9	-142.2	179.9	0	0	0	109.3
494	M	27.9	Very low	29.1	Very low	191 Å²	191	154.1 Å²	154.1	94%	0.941	82%	0.819	S	S	*	*			trans	-169.6	109.6	165.7	-98.1	-82.3	173.9	0	0	107.5
495	G	28	Very low	29.3	Very low	73 Å²	73	151 Å²	151	75%	0.753	81%	0.813	S	S	*	*			trans	-107.5	150.9	178	0	0	0	0	0	112.3
496	K	25.3	Very low	29.4	Very low	192 Å²	192	156.2 Å²	156.2	84%	0.835	82%	0.819	S	S	*	*			trans	-152.5	117.9	170	-151.7	168	-173.5	176.4	0	112.9
497	N	24.5	Very low	28.6	Very low	141 Å²	141	155.8 Å²	155.8	75%	0.754	82%	0.817	S	S	*	*			trans	47.9	106.7	155.7	-56.8	16.1	0	0	0	120.2
498	E	25.4	Very low	28.7	Very low	171 Å²	171	150 Å²	150	80%	0.799	81%	0.807	S	S	*	*			trans	46.7	159.6	130	-77.5	-144.9	98.6	0	0	123.2
499	P	31	Very low	29.2	Very low	111 Å²	111	148.8 Å²	148.8	72%	0.721	81%	0.807	S	S	*	*			cis	-118.1	176.5	7.9	41.4	-30.1	0	0	0	115.2	Q501	P499-Q501 PolarHBondContact O-N 2.85Å
500	K	37	Very low	29.7	Very low	197 Å²	197	145.2 Å²	145.2	86%	0.857	80%	0.799	S	S	*	*			trans	-61.7	129.7	171.5	-66.8	169.3	-178.7	166.8	0	111.5
501	Q	27.2	Very low	30.2	Very low	185 Å²	185	140.1 Å²	140.1	86%	0.864	79%	0.794	S	S	*	*			trans	-129.1	135.2	159.6	-139.1	170.7	18.8	0	0	108.9	P499	P499-Q501 PolarHBondContact O-N 2.85Å
502	S	32.9	Very low	31	Very low	108 Å²	108	136.8 Å²	136.8	76%	0.755	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.4	129.4	-175.9	35.8	0	0	0	0	111.1	C504	S502-C504 PolarHBondContact O-N 3.07Å
503	P	28.5	Very low	31.8	Very low	122 Å²	122	131.6 Å²	131.6	79%	0.792	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-59.7	133.4	163.5	-18.9	31.8	0	0	0	108.9
504	C	25.8	Very low	33.2	Very low	118 Å²	118	126 Å²	126	80%	0.797	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-57.4	145.4	164.5	-70.4	0	0	0	0	109.1	S502 Q506	S502-C504 PolarHBondContact O-N 3.07Å; C504-Q506 PolarHBondContact O-N 3.45Å
505	S	30.3	Very low	34.8	Very low	116 Å²	116	120.5 Å²	120.5	81%	0.811	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-51.9	130.5	166.9	33.1	0	0	0	0	109.5
506	Q	32.3	Very low	37	Very low	172 Å²	172	118 Å²	118	80%	0.804	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-54.9	144.1	168.3	-69.6	-179.1	-16.7	0	0	108.7	C504 T508	C504-Q506 PolarHBondContact O-N 3.45Å; Q506-T508 PolarHBondContact O-N 3.38Å
507	P	31.1	Very low	39.7	Very low	123 Å²	123	117.1 Å²	117.1	80%	0.799	70%	0.699	S	S	*	*			trans	-62.9	105.7	167.8	27.4	-32.5	0	0	0	107.9	T509	P507-T509 PolarHBondContact O-N 3Å
508	T	28.9	Very low	42.5	Very low	110 Å²	110	113 Å²	113	68%	0.675	68%	0.676	S	S	*	*			trans	-54	129.1	-179.8	-30.4	0	0	0	0	109	Q506 T510	Q506-T508 PolarHBondContact O-N 3.38Å; T508-T510 HydrophobicContact CG2-CG2 3.79Å; T508-T510 PolarHBondContact O-N 3.35Å; T508-T510 PolarHBondContact O-OG1 2.87Å
509	T	36.4	Very low	45.3	Very low	129 Å²	129	105 Å²	105	79%	0.791	64%	0.639	S	S	*	*			trans	-74.3	26.6	-178.3	42.6	0	0	0	0	113.6	P507 G511	P507-T509 PolarHBondContact O-N 3Å; T509-G511 PolarHBondContact O-N 2.9Å
510	T	38.1	Very low	48	Very low	124 Å²	124	106.5 Å²	106.5	76%	0.761	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	72.2	171.1	47.4	0	0	0	0	110.8	T508	T508-T510 HydrophobicContact CG2-CG2 3.79Å; T508-T510 PolarHBondContact O-N 3.35Å; T508-T510 PolarHBondContact O-OG1 2.87Å
511	G	40.1	Very low	50.4	Low	70 Å²	70	105.3 Å²	105.3	72%	0.722	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	178.7	-15.5	178.8	0	0	0	0	0	116.8	T509	T509-G511 PolarHBondContact O-N 2.9Å
512	M	45.2	Very low	53.4	Low	69 Å²	69	96.9 Å²	96.9	34%	0.34	59%	0.587	S	S	.	*			trans	-101.2	-4.8	-174.8	-73.6	-178.4	73.6	0	0	115.9	K282 M348 L351 G514	K282-M512 WeakPolarHBondContact CE-O 3.15Å; K282-M512 PolarHBondContact NZ-O 3.38Å; M348-M512 HydrophobicContact CG-CE 4.15Å; L351-M512 HydrophobicContact CD1-CE 4.2Å; L351-M512 HydrophobicContact CD1-SD 3.93Å; M512-G514 PolarHBondContact O-N 2.85Å
513	G	45.3	Very low	56.1	Low	78 Å²	78	94.4 Å²	94.4	80%	0.804	56%	0.561	S	S	*	*			trans	-66.8	11.3	172.6	0	0	0	0	0	115.9
514	G	55.7	Low	59.1	Low	45 Å²	45	94 Å²	94	46%	0.464	55%	0.551	S	S	.	*	S	Bend	trans	-71.3	136.4	169.8	0	0	0	0	0	111.8	K282 M512	K282-G514 PolarHBondContact NZ-O 3.05Å; M512-G514 PolarHBondContact O-N 2.85Å
515	T	62	Low	62.2	Low	76 Å²	76	93.8 Å²	93.8	47%	0.466	54%	0.541	S	S	.	.	P	Polyproline II helix	trans	-53.8	145.9	166.8	43.2	0	0	0	0	110.5
516	S	74.8	Confident	65.1	Low	20 Å²	20	89.4 Å²	89.4	14%	0.14	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-61.2	145.5	175.6	-174.4	0	0	0	0	109.5	I518 D519 K520	S516-I518 PolarHBondContact O-N 3.46Å; S516-I518 PolarHBondContact OG-N 3.07Å; S516-D519 WeakPolarHBondContact CA-OD2 3.36Å; S516-D519 WeakPolarHBondContact CB-OD2 3.32Å; S516-D519 PolarHBondContact N-OD2 3.04Å; S516-D519 WeakPolarHBondContact O-CB 3.46Å; S516-D519 PolarHBondContact O-N 3.07Å; S516-K520 PolarHBondContact O-N 2.67Å
517	K	81.6	Confident	68	Low	175 Å²	175	83.8 Å²	83.8	76%	0.761	49%	0.487	S	S	*	.	H	α-helix	trans	-56.3	-32.2	169.7	-68.2	176.7	-179.2	171.7	0	110.4	Y521	K517-Y521 WeakPolarHBondContact O-CD2 3.42Å; K517-Y521 PolarHBondContact O-N 3.27Å
518	I	82.6	Confident	70.9	Confident	53 Å²	53	82.6 Å²	82.6	27%	0.272	48%	0.477	S	S	.	.	H	α-helix	trans	-67.6	-55.2	175.7	-54	172.2	0	0	0	110.2	E336 V340 F343 S516 K520 Y521 A522	E336-I518 HydrophobicContact CG-CG2 3.97Å; V340-I518 HydrophobicContact CG2-CB 3.78Å; V340-I518 HydrophobicContact CG2-CD1 4.08Å; V340-I518 HydrophobicContact CG2-CG1 4.49Å; V340-I518 HydrophobicContact CG2-CG2 3.89Å; F343-I518 HydrophobicContact CD2-CD1 3.66Å; F343-I518 HydrophobicContact CE2-CD1 4.22Å; S516-I518 PolarHBondContact O-N 3.46Å; S516-I518 PolarHBondContact OG-N 3.07Å; I518-K520 PolarHBondContact O-N 3.27Å; I518-K520 VanDerWaalsContact O-N 3.12Å; I518-Y521 PolarHBondContact O-N 3.15Å; I518-A522 WeakPolarHBondContact O-CB 3.23Å; I518-A522 PolarHBondContact O-N 2.99Å
519	D	85.3	Confident	74	Confident	3 Å²	3	79.3 Å²	79.3	2%	0.016	46%	0.458	C	S	.	.	H	α-helix	trans	-47.9	-44.8	175.3	-60.5	-49.6	0	0	0	111.2	R288 S516 Y521 A522 R523	R288-D519 IonicContact CZ-OD1 3.37Å; R288-D519 VanDerWaalsContact CZ-OD1 3.23Å; R288-D519 IonicContact NH1-OD1 3.48Å; R288-D519 PolarHBondContact NH1-OD1 3.49Å; R288-D519 IonicContact NH1-OD2 3.02Å; R288-D519 IonicContact NH2-OD1 3.79Å; R288-D519 PolarHBondContact NH2-OD1 2.89Å; S516-D519 WeakPolarHBondContact CA-OD2 3.36Å; S516-D519 WeakPolarHBondContact CB-OD2 3.32Å; S516-D519 PolarHBondContact N-OD2 3.04Å; S516-D519 WeakPolarHBondContact O-CB 3.46Å; S516-D519 PolarHBondContact O-N 3.07Å; D519-Y521 PolarHBondContact O-N 3.28Å; D519-A522 PolarHBondContact O-N 2.93Å; D519-R523 WeakPolarHBondContact O-CB 3.23Å; D519-R523 VanDerWaalsContact O-CG 3.23Å; D519-R523 WeakPolarHBondContact O-CG 2.92Å; D519-R523 PolarHBondContact O-N 3Å
520	K	86.6	Confident	76.8	Confident	143 Å²	143	73.8 Å²	73.8	62%	0.622	42%	0.423	S	S	*	.	H	α-helix	trans	-63.4	-36.9	-177.2	-173.6	175.7	179	179.3	0	113	S516 I518	S516-K520 PolarHBondContact O-N 2.67Å; I518-K520 PolarHBondContact O-N 3.27Å; I518-K520 VanDerWaalsContact O-N 3.12Å
521	Y	88.1	Confident	79.4	Confident	173 Å²	173	69.9 Å²	69.9	68%	0.678	41%	0.407	S	S	*	.	H	α-helix	trans	-78.6	-40.1	173.5	-68.4	-62.4	0	0	0	111.7	K517 I518 D519 R523 I524 L525	K517-Y521 WeakPolarHBondContact O-CD2 3.42Å; K517-Y521 PolarHBondContact O-N 3.27Å; I518-Y521 PolarHBondContact O-N 3.15Å; D519-Y521 PolarHBondContact O-N 3.28Å; Y521-R523 VanDerWaalsContact C-N 3.33Å; Y521-R523 PolarHBondContact O-N 2.71Å; Y521-I524 PolarHBondContact O-N 3.47Å; Y521-I524 VanDerWaalsContact O-N 3.11Å; Y521-L525 WeakPolarHBondContact O-CB 3.23Å; Y521-L525 PolarHBondContact O-N 3.47Å
522	A	89.2	Confident	82	Confident	7 Å²	7	69.1 Å²	69.1	6%	0.058	39%	0.394	C	S	.	.	H	α-helix	trans	-58.2	-43	-179.6	0	0	0	0	0	112.3	F278 E336 I518 D519 I524 L525 F526	F278-A522 HydrophobicContact CD1-CB 4.12Å; F278-A522 HydrophobicContact CD2-CB 3.97Å; F278-A522 HydrophobicContact CE1-CB 4.22Å; F278-A522 HydrophobicContact CE2-CB 4.05Å; F278-A522 HydrophobicContact CG-CB 4.01Å; F278-A522 HydrophobicContact CZ-CB 4.18Å; E336-A522 HydrophobicContact CG-CB 4.03Å; I518-A522 WeakPolarHBondContact O-CB 3.23Å; I518-A522 PolarHBondContact O-N 2.99Å; D519-A522 PolarHBondContact O-N 2.93Å; A522-I524 PolarHBondContact O-N 2.94Å; A522-L525 PolarHBondContact O-N 3.33Å; A522-F526 HydrophobicContact CB-CD2 4.05Å; A522-F526 HydrophobicContact CB-CE2 4.14Å; A522-F526 WeakPolarHBondContact O-CB 3.29Å; A522-F526 PolarHBondContact O-N 3.33Å; A522-F526 VanDerWaalsContact O-N 3.08Å
523	R	91.1	Very high	84.3	Confident	56 Å²	56	68 Å²	68	21%	0.211	39%	0.388	C	S	.	.	H	α-helix	trans	-56.6	-17.7	176	-74.5	173.6	-165.4	-162.1	5.7	115.4	F278 W279 D519 Y521 P527	F278-R523 HydrophobicContact CB-CG 3.83Å; F278-R523 PolarHBondContact O-NE 3.23Å; F278-R523 PolarHBondContact O-NH2 3.2Å; W279-R523 HydrophobicContact CZ2-CG 4.34Å; D519-R523 WeakPolarHBondContact O-CB 3.23Å; D519-R523 VanDerWaalsContact O-CG 3.23Å; D519-R523 WeakPolarHBondContact O-CG 2.92Å; D519-R523 PolarHBondContact O-N 3Å; Y521-R523 VanDerWaalsContact C-N 3.33Å; Y521-R523 PolarHBondContact O-N 2.71Å; R523-P527 WeakPolarHBondContact O-CG 3.29Å
524	I	90.2	Very high	86.6	Confident	115 Å²	115	65.3 Å²	65.3	59%	0.59	36%	0.355	S	S	*	.	H	α-helix	trans	-109.8	-46.5	177.2	-58.3	175.5	0	0	0	110.1	Y521 A522 V528	Y521-I524 PolarHBondContact O-N 3.47Å; Y521-I524 VanDerWaalsContact O-N 3.11Å; A522-I524 PolarHBondContact O-N 2.94Å; I524-V528 HydrophobicContact CG2-CG2 4.32Å; I524-V528 WeakPolarHBondContact O-CB 3.41Å; I524-V528 VanDerWaalsContact O-CG2 3.23Å; I524-V528 WeakPolarHBondContact O-CG2 3.2Å; I524-V528 PolarHBondContact O-N 3.34Å
525	L	91.3	Very high	88.4	Confident	112 Å²	112	69.7 Å²	69.7	59%	0.586	37%	0.365	S	S	*	.	H	α-helix	trans	-66.9	-40.9	-173.1	-172.9	147.2	0	0	0	112.7	Y521 A522 S529	Y521-L525 WeakPolarHBondContact O-CB 3.23Å; Y521-L525 PolarHBondContact O-N 3.47Å; A522-L525 PolarHBondContact O-N 3.33Å; L525-S529 VanDerWaalsContact O-CB 3.31Å; L525-S529 WeakPolarHBondContact O-CB 3.44Å; L525-S529 PolarHBondContact O-N 3.13Å; L525-S529 PolarHBondContact O-OG 3.17Å
526	F	91.6	Very high	89.8	Confident	24 Å²	24	70.5 Å²	70.5	11%	0.105	37%	0.37	C	S	.	.	H	α-helix	trans	-68.6	-50.7	-179.7	-80.9	-111.7	0	0	0	112.8	Q275 F278 F329 A333 A522 V528 S529 F530	Q275-F526 HydrophobicContact CG-CB 4.08Å; F278-F526 HydrophobicContact CE2-CB 3.83Å; F278-F526 AromaticContact CE2-CD1 4Å; F278-F526 HydrophobicContact CE2-CD1 4Å; F278-F526 AromaticContact CE2-CD2 3.88Å; F278-F526 HydrophobicContact CE2-CD2 3.88Å; F278-F526 HydrophobicContact CE2-CE1 4.49Å; F278-F526 HydrophobicContact CE2-CE2 4.4Å; F278-F526 AromaticContact CE2-CG 3.66Å; F278-F526 HydrophobicContact CE2-CG 3.66Å; F278-F526 AromaticContact CZ-CD1 3.85Å; F278-F526 HydrophobicContact CZ-CD1 3.85Å; F278-F526 AromaticContact CZ-CD2 3.93Å; F278-F526 HydrophobicContact CZ-CD2 3.93Å; F278-F526 AromaticContact CZ-CE1 3.89Å; F278-F526 HydrophobicContact CZ-CE1 3.89Å; F278-F526 AromaticContact CZ-CE2 3.99Å; F278-F526 HydrophobicContact CZ-CE2 3.99Å; F278-F526 AromaticContact CZ-CG 3.86Å; F278-F526 HydrophobicContact CZ-CG 3.86Å; F278-F526 AromaticContact CZ-CZ 3.96Å; F278-F526 HydrophobicContact CZ-CZ 3.96Å; F329-F526 HydrophobicContact CD1-CD1 4.19Å; A333-F526 HydrophobicContact CB-CE1 4.5Å; A522-F526 HydrophobicContact CB-CD2 4.05Å; A522-F526 HydrophobicContact CB-CE2 4.14Å; A522-F526 WeakPolarHBondContact O-CB 3.29Å; A522-F526 PolarHBondContact O-N 3.33Å; A522-F526 VanDerWaalsContact O-N 3.08Å; F526-V528 PolarHBondContact O-N 2.9Å; F526-S529 PolarHBondContact O-OG 3Å; F526-F530 WeakPolarHBondContact O-CB 3.19Å; F526-F530 PolarHBondContact O-N 2.75Å
527	P	92.5	Very high	90.6	Very high	55 Å²	55	70.1 Å²	70.1	36%	0.357	37%	0.365	S	S	.	.	H	α-helix	trans	-59.3	-43.2	176.3	-23.4	30.5	0	0	0	113.3	Q275 R523 G531	Q275-P527 VanDerWaalsContact OE1-CG 3.31Å; R523-P527 WeakPolarHBondContact O-CG 3.29Å; P527-G531 PolarHBondContact O-N 2.97Å
528	V	93.3	Very high	91	Very high	97 Å²	97	64.1 Å²	64.1	59%	0.588	34%	0.338	S	S	*	.	H	α-helix	trans	-68.3	-44.1	-177.4	172.8	0	0	0	0	111.5	I524 F526 G531 A532	I524-V528 HydrophobicContact CG2-CG2 4.32Å; I524-V528 WeakPolarHBondContact O-CB 3.41Å; I524-V528 VanDerWaalsContact O-CG2 3.23Å; I524-V528 WeakPolarHBondContact O-CG2 3.2Å; I524-V528 PolarHBondContact O-N 3.34Å; F526-V528 PolarHBondContact O-N 2.9Å; V528-G531 PolarHBondContact O-N 2.76Å; V528-A532 WeakPolarHBondContact O-CB 3.33Å; V528-A532 PolarHBondContact O-N 3.32Å
529	S	94.2	Very high	91.3	Very high	42 Å²	42	65.6 Å²	65.6	29%	0.294	35%	0.349	S	S	.	.	H	α-helix	trans	-68.8	-37.7	178.1	55.3	0	0	0	0	112.7	F329 L525 F526 F533	F329-S529 WeakPolarHBondContact CE1-OG 3.33Å; L525-S529 VanDerWaalsContact O-CB 3.31Å; L525-S529 WeakPolarHBondContact O-CB 3.44Å; L525-S529 PolarHBondContact O-N 3.13Å; L525-S529 PolarHBondContact O-OG 3.17Å; F526-S529 PolarHBondContact O-OG 3Å; S529-F533 WeakPolarHBondContact O-CB 3.45Å; S529-F533 PolarHBondContact O-N 3.31Å
530	F	94.5	Very high	91.4	Very high	13 Å²	13	68.6 Å²	68.6	6%	0.057	37%	0.367	C	S	.	.	H	α-helix	trans	-69	-37.7	174.2	-174.6	-119.4	0	0	0	112.5	I268 V271 F329 F526 F533 N534	I268-F530 HydrophobicContact CG1-CE1 4.45Å; I268-F530 HydrophobicContact CG1-CZ 4.1Å; I268-F530 HydrophobicContact CG2-CE1 4.27Å; V271-F530 HydrophobicContact CB-CD1 4.48Å; V271-F530 HydrophobicContact CB-CE1 3.94Å; V271-F530 HydrophobicContact CB-CE2 4.17Å; V271-F530 HydrophobicContact CB-CZ 3.77Å; V271-F530 HydrophobicContact CG1-CD1 3.73Å; V271-F530 HydrophobicContact CG1-CD2 3.81Å; V271-F530 HydrophobicContact CG1-CE1 3.69Å; V271-F530 HydrophobicContact CG1-CE2 3.78Å; V271-F530 HydrophobicContact CG1-CG 3.78Å; V271-F530 HydrophobicContact CG1-CZ 3.72Å; V271-F530 HydrophobicContact CG2-CE2 4.1Å; V271-F530 HydrophobicContact CG2-CZ 4.01Å; F329-F530 AromaticContact CD2-CD2 3.67Å; F329-F530 HydrophobicContact CD2-CD2 3.67Å; F329-F530 HydrophobicContact CD2-CE2 4.35Å; F329-F530 HydrophobicContact CE1-CB 4.28Å; F329-F530 HydrophobicContact CE2-CB 4.31Å; F329-F530 AromaticContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CE2-CD2 3.75Å; F329-F530 HydrophobicContact CG-CD2 4.29Å; F329-F530 HydrophobicContact CZ-CB 4.13Å; F329-F530 HydrophobicContact CZ-CD2 4.41Å; F526-F530 WeakPolarHBondContact O-CB 3.19Å; F526-F530 PolarHBondContact O-N 2.75Å; F530-F533 HydrophobicContact CD2-CD1 4.14Å; F530-F533 HydrophobicContact CE2-CD1 4.15Å; F530-F533 PolarHBondContact O-N 2.92Å; F530-N534 WeakPolarHBondContact CE1-ND2 3.4Å; F530-N534 VanDerWaalsContact CE2-ND2 3.28Å; F530-N534 WeakPolarHBondContact CE2-ND2 3.32Å; F530-N534 WeakPolarHBondContact CZ-ND2 3.45Å; F530-N534 PolarHBondContact O-N 3.09Å; F530-N534 PolarHBondContact O-ND2 3.15Å
531	G	93.4	Very high	91.2	Very high	41 Å²	41	63.8 Å²	63.8	42%	0.423	35%	0.345	S	S	.	.	H	α-helix	trans	-63	-45.9	173.3	0	0	0	0	0	112.5	P527 V528 N534 M535	P527-G531 PolarHBondContact O-N 2.97Å; V528-G531 PolarHBondContact O-N 2.76Å; G531-N534 PolarHBondContact O-N 3.05Å; G531-M535 PolarHBondContact O-N 2.89Å
532	A	93.8	Very high	90.8	Very high	54 Å²	54	59.3 Å²	59.3	45%	0.446	33%	0.333	S	S	.	.	H	α-helix	trans	-62.1	-42.2	174.8	0	0	0	0	0	112.2	V528 M535 V536	V528-A532 WeakPolarHBondContact O-CB 3.33Å; V528-A532 PolarHBondContact O-N 3.32Å; A532-M535 PolarHBondContact O-N 2.92Å; A532-V536 WeakPolarHBondContact O-CG2 3.02Å; A532-V536 PolarHBondContact O-N 3.06Å
533	F	94.3	Very high	90	Very high	46 Å²	46	61.6 Å²	61.6	20%	0.202	35%	0.349	C	S	.	.	H	α-helix	trans	-58.2	-48.8	173.5	166.5	-107.1	0	0	0	112	F322 V325 S529 F530 M535 V536 Y537	F322-F533 AromaticContact CD2-CE1 3.75Å; F322-F533 HydrophobicContact CD2-CE1 3.75Å; F322-F533 AromaticContact CD2-CZ 3.9Å; F322-F533 HydrophobicContact CD2-CZ 3.9Å; F322-F533 AromaticContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CE1 3.78Å; F322-F533 HydrophobicContact CE2-CZ 4.38Å; V325-F533 HydrophobicContact CB-CE1 4.05Å; V325-F533 HydrophobicContact CB-CE2 3.99Å; V325-F533 HydrophobicContact CB-CZ 3.7Å; V325-F533 HydrophobicContact CG1-CD1 3.79Å; V325-F533 HydrophobicContact CG1-CD2 3.85Å; V325-F533 HydrophobicContact CG1-CE1 3.66Å; V325-F533 HydrophobicContact CG1-CE2 3.73Å; V325-F533 HydrophobicContact CG1-CG 3.88Å; V325-F533 HydrophobicContact CG1-CZ 3.64Å; V325-F533 HydrophobicContact CG2-CE2 3.94Å; V325-F533 HydrophobicContact CG2-CZ 4.08Å; S529-F533 WeakPolarHBondContact O-CB 3.45Å; S529-F533 PolarHBondContact O-N 3.31Å; F530-F533 HydrophobicContact CD2-CD1 4.14Å; F530-F533 HydrophobicContact CE2-CD1 4.15Å; F530-F533 PolarHBondContact O-N 2.92Å; F533-M535 PolarHBondContact O-N 3.49Å; F533-V536 PolarHBondContact O-N 2.83Å; F533-Y537 HydrophobicContact CE2-CD2 4.38Å; F533-Y537 HydrophobicContact CZ-CD2 4.08Å; F533-Y537 HydrophobicContact CZ-CG 4.44Å; F533-Y537 VanDerWaalsContact O-CB 3.3Å; F533-Y537 WeakPolarHBondContact O-CB 3.41Å; F533-Y537 PolarHBondContact O-N 2.82Å
534	N	93.1	Very high	88.9	Confident	21 Å²	21	63.3 Å²	63.3	11%	0.112	36%	0.358	C	S	.	.	H	α-helix	trans	-61.1	-44.4	177.9	-84	-92.2	0	0	0	111.5	F530 G531 V536 Y537 W538	F530-N534 WeakPolarHBondContact CE1-ND2 3.4Å; F530-N534 VanDerWaalsContact CE2-ND2 3.28Å; F530-N534 WeakPolarHBondContact CE2-ND2 3.32Å; F530-N534 WeakPolarHBondContact CZ-ND2 3.45Å; F530-N534 PolarHBondContact O-N 3.09Å; F530-N534 PolarHBondContact O-ND2 3.15Å; G531-N534 PolarHBondContact O-N 3.05Å; N534-V536 PolarHBondContact O-N 3.12Å; N534-Y537 PolarHBondContact O-N 3.26Å; N534-W538 PolarHBondContact O-N 3.33Å
535	M	92.2	Very high	87.4	Confident	137 Å²	137	59.1 Å²	59.1	68%	0.675	34%	0.336	S	S	*	.	H	α-helix	trans	-57.4	-49.6	176.8	-176.7	-176.7	176.2	0	0	111.5	G531 A532 F533 V539	G531-M535 PolarHBondContact O-N 2.89Å; A532-M535 PolarHBondContact O-N 2.92Å; F533-M535 PolarHBondContact O-N 3.49Å; M535-V539 HydrophobicContact CG-CG2 4.48Å; M535-V539 VanDerWaalsContact O-CB 3.29Å; M535-V539 WeakPolarHBondContact O-CB 3.25Å; M535-V539 WeakPolarHBondContact O-CG2 3.45Å; M535-V539 PolarHBondContact O-N 3.45Å
536	V	92.8	Very high	85.8	Confident	94 Å²	94	58.3 Å²	58.3	57%	0.57	34%	0.336	S	S	*	.	H	α-helix	trans	-63.7	-44.1	178.7	173	0	0	0	0	111.3	A532 F533 N534 V539 V540	A532-V536 WeakPolarHBondContact O-CG2 3.02Å; A532-V536 PolarHBondContact O-N 3.06Å; F533-V536 PolarHBondContact O-N 2.83Å; N534-V536 PolarHBondContact O-N 3.12Å; V536-V539 PolarHBondContact O-N 2.87Å; V536-V540 HydrophobicContact CG1-CG2 4.28Å; V536-V540 WeakPolarHBondContact O-CB 3.24Å; V536-V540 VanDerWaalsContact O-CG2 3.27Å; V536-V540 WeakPolarHBondContact O-CG2 3.41Å; V536-V540 PolarHBondContact O-N 2.81Å
537	Y	92	Very high	83.8	Confident	11 Å²	11	63 Å²	63	4%	0.043	36%	0.36	C	S	.	.	H	α-helix	trans	-58.1	-56.6	178.8	-176.9	-89.8	0	0	0	111.6	M181 Y264 A318 F322 F533 N534 V539 V540 Y541	M181-Y537 HydrophobicContact CE-CE1 3.89Å; Y264-Y537 AromaticContact CE1-CE1 3.68Å; Y264-Y537 HydrophobicContact CE1-CE1 3.68Å; Y264-Y537 AromaticContact CE1-CZ 3.92Å; Y264-Y537 PolarHBondContact OH-OH 3.36Å; A318-Y537 WeakPolarHBondContact O-CE2 3.21Å; A318-Y537 PolarHBondContact O-OH 2.89Å; F322-Y537 HydrophobicContact CB-CE2 3.76Å; F322-Y537 AromaticContact CD2-CD1 3.83Å; F322-Y537 HydrophobicContact CD2-CD1 3.83Å; F322-Y537 AromaticContact CD2-CD2 3.96Å; F322-Y537 HydrophobicContact CD2-CD2 3.96Å; F322-Y537 AromaticContact CD2-CE1 3.76Å; F322-Y537 HydrophobicContact CD2-CE1 3.76Å; F322-Y537 AromaticContact CD2-CE2 3.9Å; F322-Y537 HydrophobicContact CD2-CE2 3.9Å; F322-Y537 AromaticContact CD2-CG 3.94Å; F322-Y537 HydrophobicContact CD2-CG 3.94Å; F322-Y537 AromaticContact CD2-CZ 3.8Å; F322-Y537 HydrophobicContact CE2-CD1 4.23Å; F322-Y537 HydrophobicContact CE2-CE1 4.42Å; F322-Y537 HydrophobicContact CE2-CG 4.48Å; F322-Y537 HydrophobicContact CG-CE1 4.41Å; F322-Y537 HydrophobicContact CG-CE2 4.31Å; F533-Y537 HydrophobicContact CE2-CD2 4.38Å; F533-Y537 HydrophobicContact CZ-CD2 4.08Å; F533-Y537 HydrophobicContact CZ-CG 4.44Å; F533-Y537 VanDerWaalsContact O-CB 3.3Å; F533-Y537 WeakPolarHBondContact O-CB 3.41Å; F533-Y537 PolarHBondContact O-N 2.82Å; N534-Y537 PolarHBondContact O-N 3.26Å; Y537-V539 PolarHBondContact O-N 3.31Å; Y537-V540 PolarHBondContact O-N 3.32Å; Y537-Y541 HydrophobicContact CD1-CD2 4.23Å; Y537-Y541 AromaticContact CD2-CD2 3.84Å; Y537-Y541 HydrophobicContact CD2-CD2 3.84Å; Y537-Y541 AromaticContact CD2-CE2 3.57Å; Y537-Y541 HydrophobicContact CD2-CE2 3.57Å; Y537-Y541 HydrophobicContact CE1-CD2 4.11Å; Y537-Y541 AromaticContact CE2-CD2 3.71Å; Y537-Y541 HydrophobicContact CE2-CD2 3.71Å; Y537-Y541 AromaticContact CE2-CE2 3.37Å; Y537-Y541 HydrophobicContact CE2-CE2 3.37Å; Y537-Y541 HydrophobicContact CG-CD2 4.1Å; Y537-Y541 HydrophobicContact CG-CE2 4.27Å; Y537-Y541 AromaticContact CZ-CD2 3.84Å; Y537-Y541 AromaticContact CZ-CE2 3.94Å; Y537-Y541 VanDerWaalsContact O-CD2 3.29Å; Y537-Y541 WeakPolarHBondContact O-CD2 3.27Å; Y537-Y541 PolarHBondContact O-N 2.82Å; Y537-Y541 VanDerWaalsContact O-N 3.1Å
538	W	90	Very high	82	Confident	50 Å²	50	64.6 Å²	64.6	19%	0.189	36%	0.362	C	S	.	.	H	α-helix	trans	-65.5	-37.5	-178	-67.3	116.4	0	0	0	112.2	M181 M260 Y264 N534 L542	M181-W538 HydrophobicContact CE-CZ3 4.31Å; M181-W538 HydrophobicContact SD-CE3 4.3Å; M181-W538 HydrophobicContact SD-CZ3 3.89Å; M260-W538 HydrophobicContact CE-CH2 3.98Å; M260-W538 HydrophobicContact CE-CZ2 4.2Å; M260-W538 HydrophobicContact CE-CZ3 4.5Å; M260-W538 HydrophobicContact SD-CH2 3.4Å; M260-W538 WeakPolarHBondContact SD-CH2 3.16Å; M260-W538 HydrophobicContact SD-CZ2 4.11Å; M260-W538 HydrophobicContact SD-CZ3 3.95Å; Y264-W538 AromaticContact CD1-CH2 3.55Å; Y264-W538 HydrophobicContact CD1-CH2 3.55Å; Y264-W538 AromaticContact CD1-CZ2 3.46Å; Y264-W538 HydrophobicContact CD1-CZ2 3.46Å; Y264-W538 VanDerWaalsContact CD1-CZ2 3.46Å; Y264-W538 AromaticContact CD2-CH2 3.97Å; Y264-W538 HydrophobicContact CD2-CH2 3.97Å; Y264-W538 AromaticContact CE1-CH2 3.65Å; Y264-W538 HydrophobicContact CE1-CH2 3.65Å; Y264-W538 AromaticContact CE1-CZ2 3.9Å; Y264-W538 HydrophobicContact CE1-CZ2 3.9Å; Y264-W538 HydrophobicContact CE2-CH2 4.08Å; Y264-W538 AromaticContact CG-CH2 3.71Å; Y264-W538 HydrophobicContact CG-CH2 3.71Å; Y264-W538 AromaticContact CG-CZ2 3.83Å; Y264-W538 HydrophobicContact CG-CZ2 3.83Å; Y264-W538 AromaticContact CZ-CH2 3.92Å; N534-W538 PolarHBondContact O-N 3.33Å; W538-L542 HydrophobicContact CB-CD1 4.23Å; W538-L542 HydrophobicContact CE3-CD1 4.22Å; W538-L542 HydrophobicContact CE3-CG 4.35Å; W538-L542 WeakPolarHBondContact O-CB 3.44Å; W538-L542 WeakPolarHBondContact O-CG 3.41Å; W538-L542 PolarHBondContact O-N 2.97Å
539	V	88.9	Confident	80	Confident	83 Å²	83	62.5 Å²	62.5	50%	0.503	36%	0.355	S	S	.	.	H	α-helix	trans	-62.8	-46.2	173.9	168.6	0	0	0	0	111.4	M535 V536 Y537 S543	M535-V539 HydrophobicContact CG-CG2 4.48Å; M535-V539 VanDerWaalsContact O-CB 3.29Å; M535-V539 WeakPolarHBondContact O-CB 3.25Å; M535-V539 WeakPolarHBondContact O-CG2 3.45Å; M535-V539 PolarHBondContact O-N 3.45Å; V536-V539 PolarHBondContact O-N 2.87Å; Y537-V539 PolarHBondContact O-N 3.31Å; V539-S543 WeakPolarHBondContact O-CB 3.49Å; V539-S543 PolarHBondContact O-N 3.49Å; V539-S543 PolarHBondContact O-OG 3.41Å
540	V	87.4	Confident	77.7	Confident	66 Å²	66	68 Å²	68	40%	0.4	37%	0.374	S	S	.	.	H	α-helix	trans	-63.1	-51.7	-178.1	167.2	0	0	0	0	111.6	V536 Y537 S543 K544	V536-V540 HydrophobicContact CG1-CG2 4.28Å; V536-V540 WeakPolarHBondContact O-CB 3.24Å; V536-V540 VanDerWaalsContact O-CG2 3.27Å; V536-V540 WeakPolarHBondContact O-CG2 3.41Å; V536-V540 PolarHBondContact O-N 2.81Å; Y537-V540 PolarHBondContact O-N 3.32Å; V540-S543 PolarHBondContact O-OG 2.86Å; V540-K544 PolarHBondContact O-N 3.48Å
541	Y	82.1	Confident	75.3	Confident	42 Å²	42	74.4 Å²	74.4	17%	0.165	40%	0.402	C	S	.	.	H	α-helix	trans	-78.1	-34.1	-173.7	-66.4	-76.1	0	0	0	113.4	D178 M181 A318 Y537 D545	D178-Y541 WeakPolarHBondContact OD1-CD1 3.25Å; D178-Y541 WeakPolarHBondContact OD1-CE1 3.34Å; M181-Y541 VanDerWaalsContact CE-CB 3.45Å; M181-Y541 HydrophobicContact CE-CD1 4.38Å; M181-Y541 HydrophobicContact CE-CD2 4.17Å; M181-Y541 HydrophobicContact CE-CG 3.76Å; M181-Y541 VanDerWaalsContact SD-CB 3.5Å; M181-Y541 HydrophobicContact SD-CG 4.46Å; A318-Y541 HydrophobicContact CB-CD1 3.96Å; A318-Y541 HydrophobicContact CB-CE1 3.39Å; A318-Y541 HydrophobicContact CB-CE2 4.18Å; Y537-Y541 HydrophobicContact CD1-CD2 4.23Å; Y537-Y541 AromaticContact CD2-CD2 3.84Å; Y537-Y541 HydrophobicContact CD2-CD2 3.84Å; Y537-Y541 AromaticContact CD2-CE2 3.57Å; Y537-Y541 HydrophobicContact CD2-CE2 3.57Å; Y537-Y541 HydrophobicContact CE1-CD2 4.11Å; Y537-Y541 AromaticContact CE2-CD2 3.71Å; Y537-Y541 HydrophobicContact CE2-CD2 3.71Å; Y537-Y541 AromaticContact CE2-CE2 3.37Å; Y537-Y541 HydrophobicContact CE2-CE2 3.37Å; Y537-Y541 HydrophobicContact CG-CD2 4.1Å; Y537-Y541 HydrophobicContact CG-CE2 4.27Å; Y537-Y541 AromaticContact CZ-CD2 3.84Å; Y537-Y541 AromaticContact CZ-CE2 3.94Å; Y537-Y541 VanDerWaalsContact O-CD2 3.29Å; Y537-Y541 WeakPolarHBondContact O-CD2 3.27Å; Y537-Y541 PolarHBondContact O-N 2.82Å; Y537-Y541 VanDerWaalsContact O-N 3.1Å; Y541-D545 PolarHBondContact O-N 2.93Å
542	L	79.1	Confident	73.2	Confident	79 Å²	79	78.4 Å²	78.4	41%	0.414	41%	0.405	S	S	.	.	H	α-helix	trans	-76.7	-28.7	175.4	-58.8	173.1	0	0	0	112.8	M181 W538 T546	M181-L542 HydrophobicContact SD-CD2 4.22Å; W538-L542 HydrophobicContact CB-CD1 4.23Å; W538-L542 HydrophobicContact CE3-CD1 4.22Å; W538-L542 HydrophobicContact CE3-CG 4.35Å; W538-L542 WeakPolarHBondContact O-CB 3.44Å; W538-L542 WeakPolarHBondContact O-CG 3.41Å; W538-L542 PolarHBondContact O-N 2.97Å; L542-T546 WeakPolarHBondContact O-CB 3.43Å; L542-T546 PolarHBondContact O-N 2.84Å; L542-T546 PolarHBondContact O-OG1 3.3Å
543	S	72.5	Confident	70.8	Confident	56 Å²	56	79 Å²	79	39%	0.392	42%	0.416	S	S	.	.	H	α-helix	trans	-73.2	-38.9	175.7	65.7	0	0	0	0	112.4	V539 V540 D545 T546 M547	V539-S543 WeakPolarHBondContact O-CB 3.49Å; V539-S543 PolarHBondContact O-N 3.49Å; V539-S543 PolarHBondContact O-OG 3.41Å; V540-S543 PolarHBondContact O-OG 2.86Å; S543-D545 VanDerWaalsContact C-N 3.32Å; S543-D545 PolarHBondContact O-N 2.79Å; S543-T546 PolarHBondContact O-N 3.36Å; S543-M547 WeakPolarHBondContact O-CB 3.47Å; S543-M547 WeakPolarHBondContact O-CG 3.29Å; S543-M547 PolarHBondContact O-N 2.9Å
544	K	67	Low	68	Low	92 Å²	92	84.5 Å²	84.5	40%	0.4	44%	0.442	S	S	.	.	H	α-helix	trans	-47.9	-56.1	166.7	-88.4	-173.4	166.8	-168.1	0	111.1	D178 V540 T546 M547 E548	D178-K544 IonicContact OD1-NZ 2.73Å; D178-K544 PolarHBondContact OD1-NZ 3.16Å; D178-K544 IonicContact OD2-NZ 3.79Å; D178-K544 PolarHBondContact OD2-NZ 2.85Å; V540-K544 PolarHBondContact O-N 3.48Å; K544-T546 VanDerWaalsContact C-N 3.29Å; K544-T546 PolarHBondContact O-N 2.91Å; K544-M547 WeakPolarHBondContact O-CB 3.42Å; K544-M547 PolarHBondContact O-N 3.35Å; K544-E548 PolarHBondContact O-N 3.4Å
545	D	59	Low	65.3	Low	27 Å²	27	93.6 Å²	93.6	14%	0.144	49%	0.488	C	S	.	.	H	α-helix	trans	-62	-36.7	-174.7	-167.1	24.4	0	0	0	112.1	K253 Y541 S543 A549	K253-D545 WeakPolarHBondContact CE-OD1 3.44Å; K253-D545 WeakPolarHBondContact CE-OD2 3.48Å; K253-D545 IonicContact NZ-OD1 3.87Å; K253-D545 PolarHBondContact NZ-OD1 3.46Å; K253-D545 IonicContact NZ-OD2 2.77Å; K253-D545 PolarHBondContact NZ-OD2 3.44Å; Y541-D545 PolarHBondContact O-N 2.93Å; S543-D545 VanDerWaalsContact C-N 3.32Å; S543-D545 PolarHBondContact O-N 2.79Å; D545-A549 WeakPolarHBondContact O-CB 3.33Å; D545-A549 PolarHBondContact O-N 3.49Å
546	T	58.1	Low	64	Low	95 Å²	95	91.4 Å²	91.4	58%	0.583	48%	0.479	S	S	*	.	H	α-helix	trans	-70.5	-39.6	172.8	-54.3	0	0	0	0	112.7	L542 S543 K544 A549 K550	L542-T546 WeakPolarHBondContact O-CB 3.43Å; L542-T546 PolarHBondContact O-N 2.84Å; L542-T546 PolarHBondContact O-OG1 3.3Å; S543-T546 PolarHBondContact O-N 3.36Å; K544-T546 VanDerWaalsContact C-N 3.29Å; K544-T546 PolarHBondContact O-N 2.91Å; T546-A549 PolarHBondContact O-N 3.42Å; T546-K550 PolarHBondContact O-N 3.27Å
547	M	49.6	Very low	62.5	Low	123 Å²	123	91.3 Å²	91.3	61%	0.606	47%	0.474	S	S	*	.	H	α-helix	trans	-67.3	-45	179.5	-69.4	-107	-76.2	0	0	111.3	S543 K544 A549 K550 F551	S543-M547 WeakPolarHBondContact O-CB 3.47Å; S543-M547 WeakPolarHBondContact O-CG 3.29Å; S543-M547 PolarHBondContact O-N 2.9Å; K544-M547 WeakPolarHBondContact O-CB 3.42Å; K544-M547 PolarHBondContact O-N 3.35Å; M547-A549 PolarHBondContact O-N 2.88Å; M547-K550 PolarHBondContact O-N 2.94Å; M547-F551 WeakPolarHBondContact O-CD2 3.48Å; M547-F551 PolarHBondContact O-N 3.34Å
548	E	54.7	Low	60.8	Low	87 Å²	87	95.7 Å²	95.7	41%	0.407	50%	0.498	S	S	.	.	H	α-helix	trans	-64.5	-39.1	175.5	-66.5	-166.8	-177.4	0	0	112.5	K544 K550 F551 R552	K544-E548 PolarHBondContact O-N 3.4Å; E548-K550 VanDerWaalsContact C-N 3.28Å; E548-K550 PolarHBondContact O-N 3.12Å; E548-F551 PolarHBondContact O-N 3.29Å; E548-R552 WeakPolarHBondContact O-CB 3.49Å; E548-R552 WeakPolarHBondContact O-CG 3.36Å; E548-R552 PolarHBondContact O-N 3.01Å; E548-R552 IonicContact OE2-CZ 3.94Å; E548-R552 IonicContact OE2-NH1 3.23Å; E548-R552 PolarHBondContact OE2-NH1 3.49Å; E548-R552 IonicContact OE2-NH2 3.31Å; E548-R552 PolarHBondContact OE2-NH2 3.33Å
549	A	52.4	Low	59.1	Low	53 Å²	53	98.4 Å²	98.4	44%	0.438	52%	0.516	S	S	.	.	H	α-helix	trans	-59.8	-40.3	173.5	0	0	0	0	0	111.7	D545 T546 M547 R552 G553	D545-A549 WeakPolarHBondContact O-CB 3.33Å; D545-A549 PolarHBondContact O-N 3.49Å; T546-A549 PolarHBondContact O-N 3.42Å; M547-A549 PolarHBondContact O-N 2.88Å; A549-R552 PolarHBondContact O-N 3.4Å; A549-G553 PolarHBondContact O-N 3.3Å; A549-G553 VanDerWaalsContact O-N 3.13Å
550	K	44.5	Very low	57.3	Low	158 Å²	158	99.4 Å²	99.4	69%	0.687	52%	0.517	S	S	*	.	H	α-helix	trans	-68	-37.4	177.4	-166.4	174.2	-177.6	179.9	0	113	T546 M547 E548 G553	T546-K550 PolarHBondContact O-N 3.27Å; M547-K550 PolarHBondContact O-N 2.94Å; E548-K550 VanDerWaalsContact C-N 3.28Å; E548-K550 PolarHBondContact O-N 3.12Å; K550-G553 PolarHBondContact O-N 3.27Å
551	F	43.7	Very low	55.3	Low	148 Å²	148	101.6 Å²	101.6	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-69.1	-39.1	172.6	-91.8	-80.8	0	0	0	112.7	M547 E548 G553 Q554	M547-F551 WeakPolarHBondContact O-CD2 3.48Å; M547-F551 PolarHBondContact O-N 3.34Å; E548-F551 PolarHBondContact O-N 3.29Å; F551-G553 PolarHBondContact O-N 3.39Å; F551-Q554 PolarHBondContact O-N 2.65Å
552	R	50.5	Low	53.3	Low	125 Å²	125	105.9 Å²	105.9	47%	0.472	55%	0.551	S	S	.	*	H	α-helix	trans	-68.7	-16.7	176	-74.8	-173	-79.9	-104.9	1.8	113.6	E548 A549 Q554	E548-R552 WeakPolarHBondContact O-CB 3.49Å; E548-R552 WeakPolarHBondContact O-CG 3.36Å; E548-R552 PolarHBondContact O-N 3.01Å; E548-R552 IonicContact OE2-CZ 3.94Å; E548-R552 IonicContact OE2-NH1 3.23Å; E548-R552 PolarHBondContact OE2-NH1 3.49Å; E548-R552 IonicContact OE2-NH2 3.31Å; E548-R552 PolarHBondContact OE2-NH2 3.33Å; A549-R552 PolarHBondContact O-N 3.4Å; R552-Q554 VanDerWaalsContact C-N 3.34Å
553	G	42.3	Very low	51.4	Low	66 Å²	66	107.9 Å²	107.9	68%	0.68	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	11.1	175.2	0	0	0	0	0	115.8	A549 K550 F551	A549-G553 PolarHBondContact O-N 3.3Å; A549-G553 VanDerWaalsContact O-N 3.13Å; K550-G553 PolarHBondContact O-N 3.27Å; F551-G553 PolarHBondContact O-N 3.39Å
554	Q	37.1	Very low	49.6	Very low	162 Å²	162	112.3 Å²	112.3	76%	0.757	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.6	21.5	-178.3	-60.2	-163.8	-66	0	0	113.9	F551 R552	F551-Q554 PolarHBondContact O-N 2.65Å; R552-Q554 VanDerWaalsContact C-N 3.34Å
555	I	36.4	Very low	48	Very low	211 Å²	211	114.1 Å²	114.1	100%	1.082	59%	0.591	S	S	*	*			trans	-130.2	0	-179.5	-52.6	-180	0	0	0	109.4

Retrieved 555 of 555 residues in 3137.3 ms (Link to these results)

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