A0A087XK15_POEFO Loading...

Gamma-aminobutyric acid type A receptor subunit alpha4

AlphaFold DB , UniProt , Accession A0A087XK15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 556 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	34.9	Very low	32.4	Very low	226 Å²	226	163.1 Å²	163.1	100%	1.113	82%	0.818	S	S	*	*				0	109.7	0	-81.2	178.4	165.2	0	0	107.1
2	L	33.5	Very low	32.4	Very low	137 Å²	137	157.2 Å²	157.2	72%	0.717	81%	0.813	S	S	*	*				69.4	120.3	109.1	-69.3	160.3	0	0	0	110.8
3	F	33	Very low	32.8	Very low	190 Å²	190	155.9 Å²	155.9	83%	0.833	82%	0.817	S	S	*	*			cis	-160	155.4	25.3	-116.2	-78.3	0	0	0	109.3
4	A	32.1	Very low	34	Very low	86 Å²	86	160.9 Å²	160.9	71%	0.711	82%	0.819	S	S	*	*			trans	-97.2	150.4	174.4	0	0	0	0	0	112.8
5	K	34.5	Very low	35	Very low	203 Å²	203	156.2 Å²	156.2	88%	0.883	80%	0.804	S	S	*	*			trans	128.8	146.8	152.1	-86.8	-176	171.6	174.5	0	111.9
6	K	32.7	Very low	36.1	Very low	154 Å²	154	151 Å²	151	67%	0.67	79%	0.792	S	S	*	*			cis	176.4	132.1	-22.1	174.3	179	-179.1	-168.9	0	103	E8	K6-E8 WeakPolarHBondContact CE-OE1 3.21Å; K6-E8 IonicContact NZ-OE1 2.95Å; K6-E8 PolarHBondContact NZ-OE1 2.95Å
7	K	30.1	Very low	37.1	Very low	214 Å²	214	152.2 Å²	152.2	93%	0.93	79%	0.789	S	S	*	*			trans	-165.1	136.3	144.9	-108.2	177.7	-175.1	-176	0	110.2
8	E	31.3	Very low	38.3	Very low	152 Å²	152	150.3 Å²	150.3	71%	0.71	78%	0.779	S	S	*	*			trans	-81.1	159.7	-170.1	-68.9	158.4	178.7	0	0	112.9	K6	K6-E8 WeakPolarHBondContact CE-OE1 3.21Å; K6-E8 IonicContact NZ-OE1 2.95Å; K6-E8 PolarHBondContact NZ-OE1 2.95Å
9	M	26.8	Very low	39.5	Very low	175 Å²	175	151.8 Å²	151.8	86%	0.862	77%	0.774	S	S	*	*				163.6	110.3	109.3	-163.5	158.2	110.2	0	0	113.4
10	V	32.3	Very low	40.7	Very low	124 Å²	124	149 Å²	149	75%	0.752	76%	0.764	S	S	*	*			trans	58.6	140.1	133.9	-171.3	0	0	0	0	122.3
11	T	35.4	Very low	41.9	Very low	133 Å²	133	146.7 Å²	146.7	82%	0.816	75%	0.753	S	S	*	*			trans	84.5	108.5	158.9	13.3	0	0	0	0	119.4
12	A	32.4	Very low	43.5	Very low	92 Å²	92	140 Å²	140	76%	0.76	72%	0.724	S	S	*	*				167.8	102.9	117.8	0	0	0	0	0	110.4
13	T	37.4	Very low	45.1	Very low	141 Å²	141	141.5 Å²	141.5	87%	0.865	72%	0.722	S	S	*	*			trans	-122.7	119.7	161.4	19.7	0	0	0	0	109.7
14	R	49.9	Very low	46.7	Very low	225 Å²	225	139.4 Å²	139.4	85%	0.849	71%	0.712	S	S	*	*			trans	88.8	84.8	166.3	-56.3	-176.9	174.8	-176.7	-1	118.4
15	P	48.5	Very low	48.4	Very low	91 Å²	91	142.1 Å²	142.1	59%	0.591	71%	0.709	S	S	*	*			trans	-118.5	31	161.1	41.4	-29.1	0	0	0	112.8	R19	P15-R19 WeakPolarHBondContact O-CB 3.2Å; P15-R19 WeakPolarHBondContact O-CD 3.46Å
16	A	53.4	Low	49.9	Very low	73 Å²	73	135.7 Å²	135.7	60%	0.603	69%	0.689	S	S	*	*	S	Bend	trans	-89.9	-52.4	176.9	0	0	0	0	0	111.4	I18 R19 T20	A16-I18 PolarHBondContact O-N 3.49Å; A16-R19 PolarHBondContact O-N 2.88Å; A16-T20 PolarHBondContact O-N 2.84Å; A16-T20 PolarHBondContact O-OG1 3.39Å
17	F	52.8	Low	51.3	Low	171 Å²	171	133.9 Å²	133.9	75%	0.75	69%	0.685	S	S	*	*	H	α-helix	trans	-70.9	-36.9	-173.7	-129.7	-95.2	0	0	0	113.6	T20 L21	F17-T20 PolarHBondContact O-N 2.85Å; F17-L21 HydrophobicContact CD1-CD1 4.38Å; F17-L21 PolarHBondContact O-N 3.38Å; F17-L21 VanDerWaalsContact O-N 3.1Å
18	I	59.1	Low	52.7	Low	118 Å²	118	128.6 Å²	128.6	61%	0.605	67%	0.665	S	S	*	*	H	α-helix	trans	-70	-36.5	178.4	-59.8	172.6	0	0	0	110.4	A16 T20 L21 V22	A16-I18 PolarHBondContact O-N 3.49Å; I18-T20 PolarHBondContact O-N 3.5Å; I18-L21 PolarHBondContact O-N 3.1Å; I18-V22 HydrophobicContact CG2-CG2 4.07Å; I18-V22 WeakPolarHBondContact O-CB 3.11Å; I18-V22 WeakPolarHBondContact O-CG2 3.37Å; I18-V22 PolarHBondContact O-N 3.44Å
19	R	60.2	Low	54	Low	180 Å²	180	124.6 Å²	124.6	68%	0.679	65%	0.651	S	S	*	*	H	α-helix	trans	-64	-40.9	175.9	-96.3	-178.5	150.9	-169.6	-5.9	111.9	P15 A16 Y23	P15-R19 WeakPolarHBondContact O-CB 3.2Å; P15-R19 WeakPolarHBondContact O-CD 3.46Å; A16-R19 PolarHBondContact O-N 2.88Å; R19-Y23 WeakPolarHBondContact O-CB 3.48Å; R19-Y23 WeakPolarHBondContact O-CD2 3.33Å; R19-Y23 PolarHBondContact O-N 3.39Å
20	T	63.9	Low	55.5	Low	94 Å²	94	119.3 Å²	119.3	58%	0.577	63%	0.631	S	S	*	*	H	α-helix	trans	-67.7	-40.5	177.4	-24.1	0	0	0	0	111.5	A16 F17 I18 Y23 F24	A16-T20 PolarHBondContact O-N 2.84Å; A16-T20 PolarHBondContact O-OG1 3.39Å; F17-T20 PolarHBondContact O-N 2.85Å; I18-T20 PolarHBondContact O-N 3.5Å; T20-Y23 PolarHBondContact O-N 3.4Å; T20-F24 WeakPolarHBondContact O-CB 3.41Å; T20-F24 PolarHBondContact O-N 2.76Å
21	L	64.8	Low	56.6	Low	101 Å²	101	116.1 Å²	116.1	53%	0.529	62%	0.617	S	S	.	*	H	α-helix	trans	-69.4	-38.8	178.9	-127.1	125.6	0	0	0	112	F17 I18 F24 F25	F17-L21 HydrophobicContact CD1-CD1 4.38Å; F17-L21 PolarHBondContact O-N 3.38Å; F17-L21 VanDerWaalsContact O-N 3.1Å; I18-L21 PolarHBondContact O-N 3.1Å; L21-F24 PolarHBondContact O-N 3.45Å; L21-F25 WeakPolarHBondContact O-CB 3.16Å; L21-F25 PolarHBondContact O-N 2.9Å
22	V	69.4	Low	57.3	Low	86 Å²	86	117.4 Å²	117.4	52%	0.521	61%	0.612	S	S	.	*	H	α-helix	trans	-68.2	-40.3	173.5	172.6	0	0	0	0	110.7	I18 F24 F25 C26	I18-V22 HydrophobicContact CG2-CG2 4.07Å; I18-V22 WeakPolarHBondContact O-CB 3.11Å; I18-V22 WeakPolarHBondContact O-CG2 3.37Å; I18-V22 PolarHBondContact O-N 3.44Å; V22-F24 VanDerWaalsContact C-N 3.32Å; V22-F24 PolarHBondContact O-N 3.38Å; V22-F25 PolarHBondContact O-N 3.27Å; V22-C26 WeakPolarHBondContact O-CB 3.49Å; V22-C26 PolarHBondContact O-N 2.87Å
23	Y	66.6	Low	58	Low	168 Å²	168	118.3 Å²	118.3	66%	0.659	61%	0.608	S	S	*	*	H	α-helix	trans	-62	-40.2	173	-105.3	-88.7	0	0	0	111.9	R19 T20 C26 L27	R19-Y23 WeakPolarHBondContact O-CB 3.48Å; R19-Y23 WeakPolarHBondContact O-CD2 3.33Å; R19-Y23 PolarHBondContact O-N 3.39Å; T20-Y23 PolarHBondContact O-N 3.4Å; Y23-C26 PolarHBondContact O-N 2.78Å; Y23-L27 WeakPolarHBondContact O-CB 3.37Å; Y23-L27 PolarHBondContact O-N 3.09Å
24	F	68.2	Low	58.5	Low	146 Å²	146	118.7 Å²	118.7	64%	0.64	60%	0.603	S	S	*	*	H	α-helix	trans	-69.5	-41.5	177.8	-145.7	-89.5	0	0	0	111.6	T20 L21 V22 C26 L27 M28	T20-F24 WeakPolarHBondContact O-CB 3.41Å; T20-F24 PolarHBondContact O-N 2.76Å; L21-F24 PolarHBondContact O-N 3.45Å; V22-F24 VanDerWaalsContact C-N 3.32Å; V22-F24 PolarHBondContact O-N 3.38Å; F24-C26 VanDerWaalsContact C-N 3.34Å; F24-L27 PolarHBondContact O-N 3.49Å; F24-M28 HydrophobicContact CD1-CG 4.03Å; F24-M28 HydrophobicContact CE1-CG 4.18Å; F24-M28 WeakPolarHBondContact O-CB 3.33Å; F24-M28 WeakPolarHBondContact O-CG 3.4Å; F24-M28 PolarHBondContact O-N 2.87Å
25	F	66.4	Low	58.3	Low	143 Å²	143	112.7 Å²	112.7	63%	0.627	60%	0.596	S	S	*	*	H	α-helix	trans	-66.8	-34.5	173.2	-114.9	-90.5	0	0	0	112.2	L21 V22 M28 T29	L21-F25 WeakPolarHBondContact O-CB 3.16Å; L21-F25 PolarHBondContact O-N 2.9Å; V22-F25 PolarHBondContact O-N 3.27Å; F25-M28 PolarHBondContact O-N 3.43Å; F25-T29 WeakPolarHBondContact O-CB 3.34Å; F25-T29 WeakPolarHBondContact O-CG2 3.34Å; F25-T29 PolarHBondContact O-N 2.81Å; F25-T29 PolarHBondContact O-OG1 3.39Å
26	C	65.3	Low	57.9	Low	69 Å²	69	110.7 Å²	110.7	47%	0.466	59%	0.592	S	S	.	*	H	α-helix	trans	-72.8	-37.2	176.6	-150.2	0	0	0	0	111.3	V22 Y23 F24 T29 C30	V22-C26 WeakPolarHBondContact O-CB 3.49Å; V22-C26 PolarHBondContact O-N 2.87Å; Y23-C26 PolarHBondContact O-N 2.78Å; F24-C26 VanDerWaalsContact C-N 3.34Å; C26-T29 VanDerWaalsContact CA-OG1 3.27Å; C26-T29 WeakPolarHBondContact CA-OG1 3.19Å; C26-T29 PolarHBondContact O-OG1 3.22Å; C26-C30 WeakPolarHBondContact O-CB 3.27Å; C26-C30 PolarHBondContact O-N 2.65Å; C26-C30 PolarHBondContact O-SG 2.8Å
27	L	62.2	Low	57.4	Low	115 Å²	115	115.6 Å²	115.6	60%	0.602	60%	0.603	S	S	*	*	H	α-helix	trans	-66.8	-40.3	170.3	-99.3	142.2	0	0	0	112	Y23 F24 A31	Y23-L27 WeakPolarHBondContact O-CB 3.37Å; Y23-L27 PolarHBondContact O-N 3.09Å; F24-L27 PolarHBondContact O-N 3.49Å; L27-A31 WeakPolarHBondContact O-CB 3.39Å; L27-A31 PolarHBondContact O-N 2.73Å
28	M	59.7	Low	56.7	Low	103 Å²	103	114 Å²	114	51%	0.507	61%	0.607	S	S	.	*	H	α-helix	trans	-74.3	-31.1	177.9	-70.1	-64	-74.2	0	0	112.7	F24 F25 K32	F24-M28 HydrophobicContact CD1-CG 4.03Å; F24-M28 HydrophobicContact CE1-CG 4.18Å; F24-M28 WeakPolarHBondContact O-CB 3.33Å; F24-M28 WeakPolarHBondContact O-CG 3.4Å; F24-M28 PolarHBondContact O-N 2.87Å; F25-M28 PolarHBondContact O-N 3.43Å; M28-K32 WeakPolarHBondContact O-CB 3.26Å; M28-K32 WeakPolarHBondContact O-CG 3.14Å; M28-K32 PolarHBondContact O-N 3.44Å; M28-K32 VanDerWaalsContact O-N 3.09Å
29	T	60.3	Low	55.8	Low	68 Å²	68	118.4 Å²	118.4	42%	0.417	62%	0.616	S	S	.	*	H	α-helix	trans	-74.7	-45.9	170.8	45.4	0	0	0	0	110.6	F25 C26 A31 K32 T33	F25-T29 WeakPolarHBondContact O-CB 3.34Å; F25-T29 WeakPolarHBondContact O-CG2 3.34Å; F25-T29 PolarHBondContact O-N 2.81Å; F25-T29 PolarHBondContact O-OG1 3.39Å; C26-T29 VanDerWaalsContact CA-OG1 3.27Å; C26-T29 WeakPolarHBondContact CA-OG1 3.19Å; C26-T29 PolarHBondContact O-OG1 3.22Å; T29-A31 VanDerWaalsContact C-N 3.32Å; T29-A31 PolarHBondContact O-N 2.77Å; T29-K32 CarbonylContact O-C 3.46Å; T29-K32 WeakPolarHBondContact O-CA 3.35Å; T29-K32 WeakPolarHBondContact O-CB 3.45Å; T29-K32 PolarHBondContact O-N 3.28Å; T29-T33 PolarHBondContact O-N 3.49Å; T29-T33 PolarHBondContact O-OG1 3.35Å
30	C	56.9	Low	54.8	Low	65 Å²	65	118.7 Å²	118.7	44%	0.439	62%	0.622	S	S	.	*	H	α-helix	trans	-59.1	-37.7	171.5	-81.9	0	0	0	0	113.1	C26 K32 T33 I34	C26-C30 WeakPolarHBondContact O-CB 3.27Å; C26-C30 PolarHBondContact O-N 2.65Å; C26-C30 PolarHBondContact O-SG 2.8Å; C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 2.87Å; C30-T33 PolarHBondContact O-N 2.98Å; C30-I34 WeakPolarHBondContact O-CB 3.46Å; C30-I34 VanDerWaalsContact O-CG1 3.26Å; C30-I34 WeakPolarHBondContact O-CG1 3.44Å; C30-I34 PolarHBondContact O-N 2.78Å
31	A	55	Low	53.8	Low	56 Å²	56	120.9 Å²	120.9	46%	0.463	63%	0.631	S	S	.	*	H	α-helix	trans	-66.5	-33.5	173.1	0	0	0	0	0	111.8	L27 T29 S35	L27-A31 WeakPolarHBondContact O-CB 3.39Å; L27-A31 PolarHBondContact O-N 2.73Å; T29-A31 VanDerWaalsContact C-N 3.32Å; T29-A31 PolarHBondContact O-N 2.77Å; A31-S35 WeakPolarHBondContact O-CB 3.35Å; A31-S35 PolarHBondContact O-N 3.29Å; A31-S35 VanDerWaalsContact O-N 3.08Å
32	K	51.3	Low	53.1	Low	160 Å²	160	123 Å²	123	70%	0.696	64%	0.638	S	S	*	*	H	α-helix	trans	-75.4	-29.7	171.9	-77.8	-177.6	176.5	-176.4	0	113.2	M28 T29 C30 S35	M28-K32 WeakPolarHBondContact O-CB 3.26Å; M28-K32 WeakPolarHBondContact O-CG 3.14Å; M28-K32 PolarHBondContact O-N 3.44Å; M28-K32 VanDerWaalsContact O-N 3.09Å; T29-K32 CarbonylContact O-C 3.46Å; T29-K32 WeakPolarHBondContact O-CA 3.35Å; T29-K32 WeakPolarHBondContact O-CB 3.45Å; T29-K32 PolarHBondContact O-N 3.28Å; C30-K32 VanDerWaalsContact C-N 3.31Å; C30-K32 PolarHBondContact O-N 2.87Å; K32-S35 CarbonylContact O-C 3.45Å; K32-S35 PolarHBondContact O-N 3.34Å
33	T	46	Very low	52.1	Low	112 Å²	112	128.5 Å²	128.5	69%	0.687	65%	0.649	S	S	*	*	H	α-helix	trans	-78.8	-24.2	174.2	-17.1	0	0	0	0	112.8	T29 C30 S35	T29-T33 PolarHBondContact O-N 3.49Å; T29-T33 PolarHBondContact O-OG1 3.35Å; C30-T33 PolarHBondContact O-N 2.98Å; T33-S35 VanDerWaalsContact C-N 3.34Å
34	I	48.4	Very low	51.5	Low	148 Å²	148	124.8 Å²	124.8	76%	0.759	64%	0.639	S	S	*	*	H	α-helix	trans	-81.5	-18.7	168.1	-65.2	166.7	0	0	0	111.1	C30 G36	C30-I34 WeakPolarHBondContact O-CB 3.46Å; C30-I34 VanDerWaalsContact O-CG1 3.26Å; C30-I34 WeakPolarHBondContact O-CG1 3.44Å; C30-I34 PolarHBondContact O-N 2.78Å; I34-G36 PolarHBondContact O-N 3.08Å
35	S	45.6	Very low	50.9	Low	99 Å²	99	124.9 Å²	124.9	69%	0.692	64%	0.637	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.8	31	167.8	-165.3	0	0	0	0	112.3	A31 K32 T33	A31-S35 WeakPolarHBondContact O-CB 3.35Å; A31-S35 PolarHBondContact O-N 3.29Å; A31-S35 VanDerWaalsContact O-N 3.08Å; K32-S35 CarbonylContact O-C 3.45Å; K32-S35 PolarHBondContact O-N 3.34Å; T33-S35 VanDerWaalsContact C-N 3.34Å
36	G	41.3	Very low	50.6	Low	50 Å²	50	122.4 Å²	122.4	52%	0.515	64%	0.635	S	S	.	*	S	Bend	trans	-98.8	101.3	166.9	0	0	0	0	0	108.9	I34	I34-G36 PolarHBondContact O-N 3.08Å
37	Q	42	Very low	50.1	Low	176 Å²	176	126.2 Å²	126.2	82%	0.822	65%	0.646	S	S	*	*			trans	50.1	83.7	174.8	-83.9	161.6	-37	0	0	114.4	R39	Q37-R39 PolarHBondContact O-N 2.85Å
38	T	37.5	Very low	50.4	Low	138 Å²	138	124.7 Å²	124.7	85%	0.847	64%	0.638	S	S	*	*				-56.6	87	121	19.3	0	0	0	0	105.5	K40	T38-K40 VanDerWaalsContact C-N 3.25Å; T38-K40 PolarHBondContact O-N 2.79Å
39	R	41.2	Very low	51.2	Low	210 Å²	210	123.1 Å²	123.1	79%	0.792	63%	0.629	S	S	*	*			trans	-45.1	110.2	152.3	-157.1	179.3	-168.4	-179.6	2.7	101.5	Q37 D41	Q37-R39 PolarHBondContact O-N 2.85Å; R39-D41 PolarHBondContact O-N 2.79Å
40	K	39.2	Very low	52.2	Low	185 Å²	185	123.7 Å²	123.7	80%	0.804	63%	0.632	S	S	*	*			trans	-52.7	99.3	159.9	-85	179.6	175.2	177	0	101.7	T38 E42	T38-K40 VanDerWaalsContact C-N 3.25Å; T38-K40 PolarHBondContact O-N 2.79Å; K40-E42 PolarHBondContact O-N 2.69Å
41	D	42.2	Very low	53.5	Low	141 Å²	141	127.8 Å²	127.8	75%	0.754	64%	0.638	S	S	*	*			trans	-52	96.8	144.2	-98.6	-18.8	0	0	0	101.2	R39 R43	R39-D41 PolarHBondContact O-N 2.79Å; D41-R43 PolarHBondContact O-N 2.67Å
42	E	49.8	Very low	54.9	Low	145 Å²	145	126.4 Å²	126.4	68%	0.678	62%	0.623	S	S	*	*			trans	-54	90.6	159.5	-80.1	-176	144.8	0	0	103	K40 I44	K40-E42 PolarHBondContact O-N 2.69Å; E42-I44 WeakPolarHBondContact O-CG1 3.34Å; E42-I44 PolarHBondContact O-N 3.34Å
43	R	48.9	Very low	56.4	Low	202 Å²	202	121.2 Å²	121.2	76%	0.762	60%	0.603	S	S	*	*			trans	-50.3	104.9	162.1	-75.1	-176.6	-177.6	-178.2	0.9	102.6	D41 Y45	D41-R43 PolarHBondContact O-N 2.67Å; R43-Y45 WeakPolarHBondContact O-CD2 3.01Å; R43-Y45 PolarHBondContact O-N 2.69Å
44	I	54.7	Low	58.2	Low	89 Å²	89	121 Å²	121	46%	0.456	60%	0.598	S	S	.	*			trans	-63.9	98	-172.9	-50	172.3	0	0	0	104.7	E42 F49 P114 V115	E42-I44 WeakPolarHBondContact O-CG1 3.34Å; E42-I44 PolarHBondContact O-N 3.34Å; I44-F49 HydrophobicContact CB-CE2 3.91Å; I44-F49 HydrophobicContact CB-CZ 4.33Å; I44-F49 HydrophobicContact CG2-CD2 4.02Å; I44-F49 HydrophobicContact CG2-CE2 3.11Å; I44-F49 HydrophobicContact CG2-CZ 3.44Å; I44-F49 VanDerWaalsContact CG2-CZ 3.44Å; I44-P114 HydrophobicContact CG2-CG 4.35Å; I44-V115 HydrophobicContact CD1-CG2 3.95Å; I44-V115 HydrophobicContact CG2-CG2 3.94Å
45	Y	55.3	Low	60.1	Low	149 Å²	149	121.7 Å²	121.7	58%	0.584	59%	0.591	S	S	*	*			trans	-64.8	132.4	-172	-73.3	-84.6	0	0	0	108.2	R43 E47 N48	R43-Y45 WeakPolarHBondContact O-CD2 3.01Å; R43-Y45 PolarHBondContact O-N 2.69Å; Y45-E47 PolarHBondContact O-N 2.77Å; Y45-E47 VanDerWaalsContact O-N 3.14Å; Y45-N48 PolarHBondContact O-N 2.73Å; Y45-N48 VanDerWaalsContact O-N 3.08Å
46	P	58.8	Low	62.1	Low	91 Å²	91	117.6 Å²	117.6	59%	0.591	56%	0.561	S	S	*	*	H	α-helix	trans	-56.3	-29.8	179.5	18.7	-29.4	0	0	0	112.9	N48 F49 T50	P46-N48 VanDerWaalsContact C-N 3.26Å; P46-N48 PolarHBondContact O-N 3.39Å; P46-F49 WeakPolarHBondContact O-CB 3.14Å; P46-F49 PolarHBondContact O-N 2.78Å; P46-T50 PolarHBondContact O-N 3.16Å; P46-T50 PolarHBondContact O-OG1 2.94Å
47	E	55.9	Low	64.4	Low	149 Å²	149	117.1 Å²	117.1	70%	0.696	55%	0.546	S	S	*	.	H	α-helix	trans	-55.9	-34.6	176	-64.4	-64.6	153	0	0	113.8	Y45 R51	Y45-E47 PolarHBondContact O-N 2.77Å; Y45-E47 VanDerWaalsContact O-N 3.14Å; E47-R51 PolarHBondContact O-N 3.25Å
48	N	68.8	Low	66.7	Low	83 Å²	83	115.4 Å²	115.4	44%	0.444	54%	0.543	S	S	.	.	H	α-helix	trans	-72.6	-30.3	177.4	-76.8	-21.2	0	0	0	111.9	Y45 P46 I52	Y45-N48 PolarHBondContact O-N 2.73Å; Y45-N48 VanDerWaalsContact O-N 3.08Å; P46-N48 VanDerWaalsContact C-N 3.26Å; P46-N48 PolarHBondContact O-N 3.39Å; N48-I52 VanDerWaalsContact O-CD1 3.28Å; N48-I52 WeakPolarHBondContact O-CD1 3.33Å; N48-I52 WeakPolarHBondContact O-CG1 3.49Å; N48-I52 PolarHBondContact O-N 3.36Å; N48-I52 VanDerWaalsContact O-N 3.15Å
49	F	75.5	Confident	69.3	Low	70 Å²	70	112.6 Å²	112.6	31%	0.307	54%	0.541	S	S	.	.	H	α-helix	trans	-74.8	-44	-178.5	-75.1	-81	0	0	0	112.9	I44 P46 R51 I52 L53 V115 L118	I44-F49 HydrophobicContact CB-CE2 3.91Å; I44-F49 HydrophobicContact CB-CZ 4.33Å; I44-F49 HydrophobicContact CG2-CD2 4.02Å; I44-F49 HydrophobicContact CG2-CE2 3.11Å; I44-F49 HydrophobicContact CG2-CZ 3.44Å; I44-F49 VanDerWaalsContact CG2-CZ 3.44Å; P46-F49 WeakPolarHBondContact O-CB 3.14Å; P46-F49 PolarHBondContact O-N 2.78Å; F49-R51 VanDerWaalsContact C-N 3.31Å; F49-R51 PolarHBondContact O-N 2.89Å; F49-I52 PolarHBondContact O-N 3.06Å; F49-L53 WeakPolarHBondContact O-CB 3.42Å; F49-L53 PolarHBondContact O-N 3.14Å; F49-V115 HydrophobicContact CE1-CB 3.91Å; F49-V115 HydrophobicContact CE1-CG1 4.07Å; F49-V115 HydrophobicContact CE1-CG2 3.4Å; F49-V115 VanDerWaalsContact CE1-CG2 3.4Å; F49-V115 HydrophobicContact CE2-CG2 4.43Å; F49-V115 HydrophobicContact CZ-CB 4.31Å; F49-V115 HydrophobicContact CZ-CG2 3.33Å; F49-L118 HydrophobicContact CD1-CD2 3.89Å; F49-L118 HydrophobicContact CE1-CD2 4.07Å
50	T	81.9	Confident	71.8	Confident	80 Å²	80	104.2 Å²	104.2	49%	0.491	51%	0.51	S	S	.	.	H	α-helix	trans	-61.5	-44.3	178.9	-47.1	0	0	0	0	110.1	P46 I52 L53 D54	P46-T50 PolarHBondContact O-N 3.16Å; P46-T50 PolarHBondContact O-OG1 2.94Å; T50-I52 VanDerWaalsContact C-N 3.34Å; T50-I52 PolarHBondContact O-N 2.91Å; T50-L53 PolarHBondContact O-N 3.46Å; T50-L53 VanDerWaalsContact O-N 3.14Å; T50-D54 PolarHBondContact O-N 2.7Å
51	R	84.4	Confident	74.3	Confident	150 Å²	150	97.4 Å²	97.4	57%	0.566	48%	0.482	S	S	*	.	H	α-helix	trans	-62.8	-37	176.1	-171.1	179.5	-179.6	-178.1	3	113.4	E47 F49 R55	E47-R51 PolarHBondContact O-N 3.25Å; F49-R51 VanDerWaalsContact C-N 3.31Å; F49-R51 PolarHBondContact O-N 2.89Å; R51-R55 WeakPolarHBondContact O-CB 3.16Å; R51-R55 VanDerWaalsContact O-CG 3.27Å; R51-R55 WeakPolarHBondContact O-CG 3.08Å; R51-R55 PolarHBondContact O-N 3.15Å
52	I	85	Confident	76.8	Confident	27 Å²	27	93.7 Å²	93.7	14%	0.138	46%	0.463	C	S	.	.	H	α-helix	trans	-64.8	-46.5	173.6	-71.5	163.4	0	0	0	109.7	N48 F49 T50 R55 L56 Y111 L118	N48-I52 VanDerWaalsContact O-CD1 3.28Å; N48-I52 WeakPolarHBondContact O-CD1 3.33Å; N48-I52 WeakPolarHBondContact O-CG1 3.49Å; N48-I52 PolarHBondContact O-N 3.36Å; N48-I52 VanDerWaalsContact O-N 3.15Å; F49-I52 PolarHBondContact O-N 3.06Å; T50-I52 VanDerWaalsContact C-N 3.34Å; T50-I52 PolarHBondContact O-N 2.91Å; I52-R55 PolarHBondContact O-N 3.02Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 PolarHBondContact O-N 3.14Å; I52-Y111 HydrophobicContact CG2-CD2 3.88Å; I52-Y111 HydrophobicContact CG2-CG 4.03Å; I52-L118 HydrophobicContact CG2-CD1 4.18Å
53	L	82.8	Confident	78.9	Confident	51 Å²	51	95.8 Å²	95.8	27%	0.267	46%	0.464	S	S	.	.	H	α-helix	trans	-66.3	-41.8	-176.7	-169.7	64.1	0	0	0	112.8	F49 T50 L56 L57 L120 M124	F49-L53 WeakPolarHBondContact O-CB 3.42Å; F49-L53 PolarHBondContact O-N 3.14Å; T50-L53 PolarHBondContact O-N 3.46Å; T50-L53 VanDerWaalsContact O-N 3.14Å; L53-L56 WeakPolarHBondContact O-CB 3.5Å; L53-L56 PolarHBondContact O-N 2.91Å; L53-L57 PolarHBondContact O-N 3.34Å; L53-L120 HydrophobicContact CD1-CD1 4.16Å; L53-L120 HydrophobicContact CD1-CD2 3.88Å; L53-L120 HydrophobicContact CD2-CD2 4.43Å; L53-M124 HydrophobicContact CD1-CE 3.63Å; L53-M124 HydrophobicContact CD1-SD 3.8Å
54	D	83.9	Confident	81	Confident	109 Å²	109	89.5 Å²	89.5	58%	0.583	45%	0.445	S	S	*	.	H	α-helix	trans	-65.7	-40.8	177.9	-69.2	-25.8	0	0	0	111.3	T50 L56 D58	T50-D54 PolarHBondContact O-N 2.7Å; D54-L56 VanDerWaalsContact C-N 3.32Å; D54-L56 PolarHBondContact O-N 2.87Å; D54-D58 PolarHBondContact O-N 3.39Å
55	R	87.1	Confident	83	Confident	162 Å²	162	85.9 Å²	85.9	61%	0.611	43%	0.426	S	S	*	.	H	α-helix	trans	-66.9	-33	173.8	-76.4	178	171	-168.8	-9	113	R51 I52 L57 D58	R51-R55 WeakPolarHBondContact O-CB 3.16Å; R51-R55 VanDerWaalsContact O-CG 3.27Å; R51-R55 WeakPolarHBondContact O-CG 3.08Å; R51-R55 PolarHBondContact O-N 3.15Å; I52-R55 PolarHBondContact O-N 3.02Å; R55-L57 PolarHBondContact O-N 3.08Å; R55-D58 PolarHBondContact O-N 3.26Å
56	L	88.5	Confident	84.9	Confident	12 Å²	12	79.2 Å²	79.2	6%	0.063	40%	0.401	C	S	.	.	H	α-helix	trans	-64.6	-30.9	-177.6	-160.4	68.3	0	0	0	112.5	I52 L53 D54 L109 L118 M124 I155	I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 PolarHBondContact O-N 3.14Å; L53-L56 WeakPolarHBondContact O-CB 3.5Å; L53-L56 PolarHBondContact O-N 2.91Å; D54-L56 VanDerWaalsContact C-N 3.32Å; D54-L56 PolarHBondContact O-N 2.87Å; L56-L109 HydrophobicContact CD1-CB 4.26Å; L56-L109 HydrophobicContact CD1-CD2 4.42Å; L56-L109 HydrophobicContact CD2-CB 4.42Å; L56-L109 HydrophobicContact CD2-CD2 4.11Å; L56-L109 HydrophobicContact CG-CB 4.39Å; L56-L109 HydrophobicContact CG-CD2 3.79Å; L56-L118 HydrophobicContact CD2-CD1 4.42Å; L56-M124 HydrophobicContact CD2-CE 4.23Å; L56-I155 HydrophobicContact CD2-CD1 3.66Å
57	L	89.6	Confident	86.5	Confident	41 Å²	41	76.8 Å²	76.8	22%	0.215	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-3.2	-178.9	-68	179.6	0	0	0	113.4	L53 R55 G59 Y60 M124 K127 V128	L53-L57 PolarHBondContact O-N 3.34Å; R55-L57 PolarHBondContact O-N 3.08Å; L57-G59 PolarHBondContact O-N 3.47Å; L57-Y60 HydrophobicContact CD2-CD1 4.41Å; L57-Y60 HydrophobicContact CD2-CG 4.47Å; L57-Y60 PolarHBondContact O-N 3.3Å; L57-M124 HydrophobicContact CD1-CE 3.84Å; L57-M124 HydrophobicContact CD1-SD 3.77Å; L57-M124 HydrophobicContact CD2-CE 3.47Å; L57-M124 VanDerWaalsContact CD2-CE 3.47Å; L57-M124 HydrophobicContact CD2-SD 4.3Å; L57-M124 HydrophobicContact CG-CE 3.67Å; L57-M124 HydrophobicContact CG-SD 4.3Å; L57-K127 HydrophobicContact CD1-CB 4.25Å; L57-K127 HydrophobicContact CD1-CD 3.67Å; L57-K127 HydrophobicContact CD2-CB 4.35Å; L57-V128 HydrophobicContact CD2-CG2 4.33Å
58	D	90.7	Very high	88.2	Confident	139 Å²	139	76.1 Å²	76.1	74%	0.743	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	122.4	178.3	-165.1	10.5	0	0	0	110	D54 R55 Y60	D54-D58 PolarHBondContact O-N 3.39Å; R55-D58 PolarHBondContact O-N 3.26Å; D58-Y60 PolarHBondContact O-N 3.37Å
59	G	90.2	Very high	89.2	Confident	80 Å²	80	76 Å²	76	83%	0.825	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	9.3	-174.1	0	0	0	0	0	115.8	L57	L57-G59 PolarHBondContact O-N 3.47Å
60	Y	93.6	Very high	90	Very high	33 Å²	33	74.7 Å²	74.7	13%	0.129	41%	0.412	C	S	.	.			trans	-79.9	121.5	179.4	-174.1	-85.9	0	0	0	111.8	L57 D58 N62 D106 R108 L109 V128 W129	L57-Y60 HydrophobicContact CD2-CD1 4.41Å; L57-Y60 HydrophobicContact CD2-CG 4.47Å; L57-Y60 PolarHBondContact O-N 3.3Å; D58-Y60 PolarHBondContact O-N 3.37Å; Y60-N62 HydrophobicContact CD1-CB 4.4Å; Y60-N62 HydrophobicContact CE1-CB 3.86Å; Y60-D106 WeakPolarHBondContact CE2-OD2 3.29Å; Y60-D106 PolarHBondContact OH-OD2 3.14Å; Y60-D106 VanDerWaalsContact OH-OD2 3.09Å; Y60-R108 HydrophobicContact CD2-CB 3.97Å; Y60-R108 HydrophobicContact CE2-CB 4Å; Y60-R108 PolarHBondContact OH-NH2 2.8Å; Y60-R108 VanDerWaalsContact OH-NH2 3.09Å; Y60-L109 HydrophobicContact CD2-CD2 3.64Å; Y60-L109 HydrophobicContact CD2-CG 4.33Å; Y60-L109 HydrophobicContact CE2-CD1 4.33Å; Y60-L109 HydrophobicContact CE2-CD2 3.62Å; Y60-L109 HydrophobicContact CE2-CG 3.87Å; Y60-L109 HydrophobicContact CG-CD2 4.41Å; Y60-V128 HydrophobicContact CE1-CG1 4.42Å; Y60-W129 VanDerWaalsContact OH-CB 3.29Å; Y60-W129 WeakPolarHBondContact OH-CB 3.42Å; Y60-W129 PolarHBondContact OH-N 3.35Å
61	D	93.4	Very high	90.6	Very high	42 Å²	42	75.6 Å²	75.6	23%	0.225	42%	0.419	C	S	.	.			trans	-103	114.1	172.2	-165.5	-20.3	0	0	0	111.1	R63 L64 R108	D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3Å; D61-R63 VanDerWaalsContact OD1-CB 3.27Å; D61-R63 WeakPolarHBondContact OD1-CB 3.2Å; D61-R63 WeakPolarHBondContact OD1-CG 3.3Å; D61-R63 IonicContact OD1-CZ 3.87Å; D61-R63 PolarHBondContact OD1-N 2.97Å; D61-R63 IonicContact OD1-NE 2.61Å; D61-R63 PolarHBondContact OD1-NE 3.16Å; D61-R63 IonicContact OD1-NH2 3Å; D61-R63 IonicContact OD2-CZ 3.37Å; D61-R63 IonicContact OD2-NE 3.26Å; D61-R63 PolarHBondContact OD2-NE 3.41Å; D61-R63 IonicContact OD2-NH2 3.16Å; D61-R63 PolarHBondContact OD2-NH2 2.68Å; D61-L64 HydrophobicContact CB-CD1 4.29Å; D61-L64 HydrophobicContact CB-CG 4.43Å; D61-R108 PolarHBondContact O-NH1 3.31Å; D61-R108 VanDerWaalsContact O-NH1 3.07Å
62	N	93.8	Very high	91.1	Very high	64 Å²	64	71.5 Å²	71.5	34%	0.342	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.1	179.9	68.8	-8.5	0	0	0	114.2	Y60 L64 T126 K127 W129	Y60-N62 HydrophobicContact CD1-CB 4.4Å; Y60-N62 HydrophobicContact CE1-CB 3.86Å; N62-L64 VanDerWaalsContact C-N 3.32Å; N62-T126 PolarHBondContact ND2-O 2.76Å; N62-T126 VanDerWaalsContact ND2-O 3.16Å; N62-K127 WeakPolarHBondContact CB-O 3.37Å; N62-W129 WeakPolarHBondContact O-CB 3.48Å; N62-W129 VanDerWaalsContact O-CD1 3.3Å
63	R	93.2	Very high	91.7	Very high	189 Å²	189	70.6 Å²	70.6	71%	0.713	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-20.7	177.5	-57.5	171.8	-65.4	176.2	3.7	111.9	D61	D61-R63 VanDerWaalsContact C-N 3.3Å; D61-R63 PolarHBondContact O-N 3Å; D61-R63 VanDerWaalsContact OD1-CB 3.27Å; D61-R63 WeakPolarHBondContact OD1-CB 3.2Å; D61-R63 WeakPolarHBondContact OD1-CG 3.3Å; D61-R63 IonicContact OD1-CZ 3.87Å; D61-R63 PolarHBondContact OD1-N 2.97Å; D61-R63 IonicContact OD1-NE 2.61Å; D61-R63 PolarHBondContact OD1-NE 3.16Å; D61-R63 IonicContact OD1-NH2 3Å; D61-R63 IonicContact OD2-CZ 3.37Å; D61-R63 IonicContact OD2-NE 3.26Å; D61-R63 PolarHBondContact OD2-NE 3.41Å; D61-R63 IonicContact OD2-NH2 3.16Å; D61-R63 PolarHBondContact OD2-NH2 2.68Å
64	L	94.4	Very high	92.4	Very high	69 Å²	69	72.1 Å²	72.1	36%	0.361	41%	0.412	S	S	.	.	S	Bend	trans	-99	131.1	-177.8	-59.2	177.9	0	0	0	110.8	D61 N62 F68 R108	D61-L64 HydrophobicContact CB-CD1 4.29Å; D61-L64 HydrophobicContact CB-CG 4.43Å; N62-L64 VanDerWaalsContact C-N 3.32Å; L64-F68 HydrophobicContact CD2-CD2 4.45Å; L64-F68 HydrophobicContact CD2-CG 4.4Å; L64-R108 PolarHBondContact O-NH1 3.19Å; L64-R108 PolarHBondContact O-NH2 2.86Å; L64-R108 VanDerWaalsContact O-NH2 3.11Å
65	R	95.3	Very high	93	Very high	14 Å²	14	66.9 Å²	66.9	5%	0.053	38%	0.384	C	S	.	.	P	Polyproline II helix	trans	-64	149.6	173.7	74.4	174.4	-178.7	84.4	0.8	111.1	G67 F68 P71 T73 W129 Y196 E200	R65-G67 PolarHBondContact NH1-O 2.64Å; R65-G67 PolarHBondContact O-N 3.29Å; R65-F68 HydrophobicContact CG-CB 4.32Å; R65-F68 HydrophobicContact CG-CD2 4.36Å; R65-F68 WeakPolarHBondContact O-CB 3.28Å; R65-F68 PolarHBondContact O-N 2.85Å; R65-F68 VanDerWaalsContact O-N 3.14Å; R65-P71 PolarHBondContact NH1-O 2.88Å; R65-T73 PolarHBondContact NH1-OG1 3.4Å; R65-W129 HydrophobicContact CB-CZ2 3.79Å; R65-Y196 HydrophobicContact CB-CE1 4.18Å; R65-E200 IonicContact NE-OE2 2.69Å; R65-E200 PolarHBondContact NE-OE2 3.21Å; R65-E200 PolarHBondContact NH1-O 2.87Å
66	P	95.8	Very high	93.5	Very high	9 Å²	9	63.3 Å²	63.3	6%	0.058	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	126.6	172.7	-19.5	29.7	0	0	0	110.6	T73 D106 W129	P66-T73 HydrophobicContact CB-CG2 4.47Å; P66-T73 HydrophobicContact CG-CG2 4.36Å; P66-T73 PolarHBondContact O-OG1 3.48Å; P66-D106 HydrophobicContact CB-CB 4.14Å; P66-D106 HydrophobicContact CG-CB 3.97Å; P66-W129 VanDerWaalsContact CD-CD2 3.5Å; P66-W129 HydrophobicContact CG-CD2 4.31Å; P66-W129 HydrophobicContact CG-CE3 3.7Å; P66-W129 HydrophobicContact CG-CZ3 3.92Å
67	G	91.9	Very high	93.9	Very high	40 Å²	40	62.7 Å²	62.7	41%	0.412	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.4	27.3	-176.7	0	0	0	0	0	114.2	R65 G69 G70	R65-G67 PolarHBondContact NH1-O 2.64Å; R65-G67 PolarHBondContact O-N 3.29Å; G67-G69 PolarHBondContact O-N 3.31Å; G67-G70 CarbonylContact O-C 3.27Å; G67-G70 WeakPolarHBondContact O-CA 3.14Å; G67-G70 PolarHBondContact O-N 3.36Å
68	F	92.2	Very high	94.2	Very high	135 Å²	135	61.2 Å²	61.2	59%	0.592	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	131.2	171.1	-174.3	-98.1	0	0	0	111.5	L64 R65 G70	L64-F68 HydrophobicContact CD2-CD2 4.45Å; L64-F68 HydrophobicContact CD2-CG 4.4Å; R65-F68 HydrophobicContact CG-CB 4.32Å; R65-F68 HydrophobicContact CG-CD2 4.36Å; R65-F68 WeakPolarHBondContact O-CB 3.28Å; R65-F68 PolarHBondContact O-N 2.85Å; R65-F68 VanDerWaalsContact O-N 3.14Å; F68-G70 PolarHBondContact O-N 2.99Å
69	G	89.8	Confident	94.5	Very high	79 Å²	79	54.7 Å²	54.7	81%	0.814	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.4	0.8	-173.3	0	0	0	0	0	115.3	G67	G67-G69 PolarHBondContact O-N 3.31Å
70	G	92.4	Very high	94.7	Very high	43 Å²	43	54.3 Å²	54.3	44%	0.443	30%	0.302	S	S	.	.	S	Bend	trans	-127.3	-143.2	179.8	0	0	0	0	0	112.6	G67 F68	G67-G70 CarbonylContact O-C 3.27Å; G67-G70 WeakPolarHBondContact O-CA 3.14Å; G67-G70 PolarHBondContact O-N 3.36Å; F68-G70 PolarHBondContact O-N 2.99Å
71	P	94.6	Very high	94.9	Very high	99 Å²	99	52.8 Å²	52.8	64%	0.643	30%	0.295	S	S	*	.	S	Bend	trans	-63.2	161	-173.7	27.8	-35.1	0	0	0	112.9	R65	R65-P71 PolarHBondContact NH1-O 2.88Å
72	V	95.9	Very high	94.9	Very high	65 Å²	65	52.3 Å²	52.3	39%	0.394	29%	0.294	S	S	.	.	P	Polyproline II helix	trans	-64.1	141.4	174.8	-57.8	0	0	0	0	110.7	E74 T199 E200 I202	V72-E74 PolarHBondContact O-N 3.18Å; V72-T199 WeakPolarHBondContact CG1-O 3.37Å; V72-E200 WeakPolarHBondContact CA-O 3.44Å; V72-I202 HydrophobicContact CG2-CD1 4.09Å; V72-I202 HydrophobicContact CG2-CG1 4.23Å
73	T	96.8	Very high	94.8	Very high	8 Å²	8	51.3 Å²	51.3	5%	0.049	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	116.2	173.6	-47	0	0	0	0	108.5	R65 P66 W129 E200 M201 I202	R65-T73 PolarHBondContact NH1-OG1 3.4Å; P66-T73 HydrophobicContact CB-CG2 4.47Å; P66-T73 HydrophobicContact CG-CG2 4.36Å; P66-T73 PolarHBondContact O-OG1 3.48Å; T73-W129 HydrophobicContact CG2-CH2 4.15Å; T73-W129 HydrophobicContact CG2-CZ3 4.28Å; T73-E200 PolarHBondContact N-O 3.16Å; T73-M201 WeakPolarHBondContact O-CA 3.39Å; T73-M201 WeakPolarHBondContact O-CG 3.39Å; T73-I202 PolarHBondContact O-N 3.33Å
74	E	96.8	Very high	94.8	Very high	82 Å²	82	42.9 Å²	42.9	38%	0.383	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	124.2	173.1	-171.2	-169	-174	0	0	110	V72 K76 I202 T204	V72-E74 PolarHBondContact O-N 3.18Å; E74-K76 VanDerWaalsContact OE1-CE 3.31Å; E74-K76 WeakPolarHBondContact OE1-CE 3.49Å; E74-K76 WeakPolarHBondContact OE2-CE 3.45Å; E74-I202 HydrophobicContact CB-CD1 4.48Å; E74-I202 HydrophobicContact CB-CG1 4.19Å; E74-I202 HydrophobicContact CG-CD1 4.31Å; E74-I202 HydrophobicContact CG-CG1 4.16Å; E74-T204 HydrophobicContact CG-CG2 4.12Å; E74-T204 WeakPolarHBondContact OE1-CB 3.38Å; E74-T204 WeakPolarHBondContact OE1-CG2 3.12Å; E74-T204 PolarHBondContact OE1-OG1 2.89Å
75	V	97.9	Very high	94.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	108.3	174.9	-176.1	0	0	0	0	109.3	T77 Q102 W104 P131 M201 I202 Y203 T204	V75-T77 HydrophobicContact CG1-CG2 4.33Å; V75-Q102 HydrophobicContact CG1-CB 4.17Å; V75-W104 HydrophobicContact CG2-CB 4.18Å; V75-P131 HydrophobicContact CG1-CG 4.16Å; V75-P131 HydrophobicContact CG2-CB 4.19Å; V75-P131 HydrophobicContact CG2-CG 4.44Å; V75-M201 HydrophobicContact CG2-CG 3.91Å; V75-M201 HydrophobicContact CG2-SD 3.62Å; V75-I202 PolarHBondContact N-O 2.86Å; V75-Y203 HydrophobicContact CB-CD1 3.92Å; V75-Y203 HydrophobicContact CB-CE1 4Å; V75-Y203 HydrophobicContact CG1-CD1 4Å; V75-Y203 HydrophobicContact CG1-CE1 3.83Å; V75-Y203 WeakPolarHBondContact O-CA 3.35Å; V75-T204 PolarHBondContact O-N 2.67Å
76	K	97.3	Very high	94.4	Very high	86 Å²	86	44.6 Å²	44.6	37%	0.374	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	125.2	176.4	-63.8	-176.8	-179.8	-174.4	0	110.1	E74 Q102 T103 T204	E74-K76 VanDerWaalsContact OE1-CE 3.31Å; E74-K76 WeakPolarHBondContact OE1-CE 3.49Å; E74-K76 WeakPolarHBondContact OE2-CE 3.45Å; K76-Q102 CarbonylContact O-C 3.56Å; K76-Q102 WeakPolarHBondContact O-CA 3.41Å; K76-T103 PolarHBondContact N-O 2.79Å; K76-T103 PolarHBondContact O-N 3.49Å; K76-T204 CarbonylContact C-O 3.44Å; K76-T204 VanDerWaalsContact CA-O 3.32Å; K76-T204 WeakPolarHBondContact CA-O 3.44Å; K76-T204 WeakPolarHBondContact CG-OG1 3.28Å
77	T	97	Very high	94.3	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	149.1	-178.1	53.7	0	0	0	0	112.4	V75 F100 R101 Q102 F191 Y203 T204 T206	V75-T77 HydrophobicContact CG1-CG2 4.33Å; T77-F100 HydrophobicContact CG2-CZ 4.17Å; T77-R101 WeakPolarHBondContact CA-O 3.49Å; T77-Q102 HydrophobicContact CG2-CG 4.33Å; T77-F191 HydrophobicContact CG2-CE2 3.96Å; T77-Y203 HydrophobicContact CG2-CD1 3.71Å; T77-Y203 HydrophobicContact CG2-CE1 4.16Å; T77-T204 PolarHBondContact N-O 3.11Å; T77-T204 PolarHBondContact OG1-O 3.01Å; T77-T206 VanDerWaalsContact C-OG1 3.27Å; T77-T206 PolarHBondContact N-OG1 2.86Å; T77-T206 PolarHBondContact O-N 3.02Å; T77-T206 PolarHBondContact O-OG1 2.9Å
78	D	95.3	Very high	94.4	Very high	10 Å²	10	44.4 Å²	44.4	5%	0.053	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	136.6	177.8	172.7	30.4	0	0	0	107.8	R101 S212	D78-R101 HydrophobicContact CB-CB 3.99Å; D78-R101 PolarHBondContact N-O 2.97Å; D78-R101 WeakPolarHBondContact O-CA 3.49Å; D78-R101 WeakPolarHBondContact O-CB 3.37Å; D78-R101 PolarHBondContact O-N 3.49Å; D78-R101 VanDerWaalsContact OD2-CD 3.23Å; D78-R101 WeakPolarHBondContact OD2-CD 3.34Å; D78-R101 IonicContact OD2-CZ 3.51Å; D78-R101 IonicContact OD2-NE 3.79Å; D78-R101 IonicContact OD2-NH1 3.11Å; D78-R101 PolarHBondContact OD2-NH1 3.3Å; D78-S212 VanDerWaalsContact OD1-O 3.06Å
79	I	96.7	Very high	94.3	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	121.7	-176.8	-57	-175.6	0	0	0	108.3	V81 V98 F100 L189 F191 W205 S212 V213 E214 V249	I79-V81 HydrophobicContact CG2-CG2 4.2Å; I79-V98 HydrophobicContact CG2-CB 4.13Å; I79-V98 HydrophobicContact CG2-CG1 4.06Å; I79-F100 HydrophobicContact CD1-CD2 4.16Å; I79-F100 HydrophobicContact CD1-CE2 4.1Å; I79-F100 HydrophobicContact CG1-CD2 3.9Å; I79-F100 HydrophobicContact CG1-CE2 4.09Å; I79-L189 HydrophobicContact CD1-CD2 4.31Å; I79-F191 HydrophobicContact CD1-CD1 4.47Å; I79-F191 HydrophobicContact CD1-CE1 3.68Å; I79-F191 HydrophobicContact CD1-CZ 4.18Å; I79-W205 HydrophobicContact CD1-CH2 4.2Å; I79-W205 HydrophobicContact CD1-CZ3 4.28Å; I79-W205 HydrophobicContact CG1-CZ3 4.29Å; I79-S212 PolarHBondContact N-O 2.81Å; I79-V213 HydrophobicContact CB-CG2 4.35Å; I79-V213 WeakPolarHBondContact O-CA 3.41Å; I79-E214 PolarHBondContact O-N 3.44Å; I79-V249 HydrophobicContact CD1-CG2 4.25Å
80	Y	95.8	Very high	94.4	Very high	73 Å²	73	39.2 Å²	39.2	29%	0.286	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	113.3	169.6	-176	-85.3	0	0	0	108.9	T82 V98 F99 E214 P216	Y80-T82 HydrophobicContact CD1-CG2 3.89Å; Y80-T82 HydrophobicContact CE1-CG2 4.02Å; Y80-T82 PolarHBondContact O-N 2.61Å; Y80-V98 CarbonylContact O-C 3.58Å; Y80-V98 WeakPolarHBondContact O-CA 3.31Å; Y80-F99 AromaticContact CD1-CD2 3.97Å; Y80-F99 HydrophobicContact CD1-CD2 3.97Å; Y80-F99 PolarHBondContact N-O 3.35Å; Y80-F99 PolarHBondContact O-N 2.8Å; Y80-E214 HydrophobicContact CD2-CB 3.9Å; Y80-E214 HydrophobicContact CE2-CB 4.42Å; Y80-P216 HydrophobicContact CE1-CG 4.05Å; Y80-P216 HydrophobicContact CE2-CG 3.92Å; Y80-P216 VanDerWaalsContact CZ-CG 3.43Å; Y80-P216 WeakPolarHBondContact OH-CG 3.41Å
81	V	95.9	Very high	94.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	116.6	179.6	-177.7	0	0	0	0	108.4	I79 V98 E214 V215 P216 F251	I79-V81 HydrophobicContact CG2-CG2 4.2Å; V81-V98 HydrophobicContact CG2-CG1 4.14Å; V81-E214 PolarHBondContact N-O 3Å; V81-V215 HydrophobicContact CB-CB 4.42Å; V81-V215 HydrophobicContact CB-CG1 4.22Å; V81-V215 HydrophobicContact CB-CG2 3.97Å; V81-V215 HydrophobicContact CG1-CG1 4.3Å; V81-V215 HydrophobicContact CG2-CG2 3.83Å; V81-P216 WeakPolarHBondContact O-CD 3.34Å; V81-F251 HydrophobicContact CG2-CE1 4.25Å; V81-F251 HydrophobicContact CG2-CZ 4.2Å
82	T	93.6	Very high	94.3	Very high	33 Å²	33	40.4 Å²	40.4	20%	0.202	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	-32.5	179.6	52.2	0	0	0	0	112.3	Y80 D97 F99 S219	Y80-T82 HydrophobicContact CD1-CG2 3.89Å; Y80-T82 HydrophobicContact CE1-CG2 4.02Å; Y80-T82 PolarHBondContact O-N 2.61Å; T82-D97 PolarHBondContact N-O 3.48Å; T82-D97 VanDerWaalsContact OG1-C 3.32Å; T82-D97 WeakPolarHBondContact OG1-CB 3.38Å; T82-D97 PolarHBondContact OG1-O 3.39Å; T82-F99 HydrophobicContact CG2-CD2 3.36Å; T82-F99 HydrophobicContact CG2-CE2 3.32Å; T82-F99 HydrophobicContact CG2-CG 4.39Å; T82-F99 HydrophobicContact CG2-CZ 4.33Å; T82-S219 WeakPolarHBondContact O-CB 3.23Å; T82-S219 PolarHBondContact O-OG 2.94Å
83	S	92.6	Very high	94.3	Very high	42 Å²	42	38.6 Å²	38.6	29%	0.294	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	138.6	174.4	54.9	0	0	0	0	109.4	M96 D97	S83-M96 WeakPolarHBondContact O-CA 3.45Å; S83-D97 PolarHBondContact N-O 2.84Å; S83-D97 PolarHBondContact O-N 2.84Å; S83-D97 WeakPolarHBondContact OG-CB 3.27Å; S83-D97 PolarHBondContact OG-OD2 3.46Å
84	F	92.1	Very high	94.2	Very high	12 Å²	12	38.2 Å²	38.2	5%	0.053	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	118.8	164.5	-147.2	-77.9	0	0	0	108.1	V87 Y94 S219 L222 L227 F251 L253	F84-V87 HydrophobicContact CD1-CG2 4.48Å; F84-V87 HydrophobicContact CE1-CG2 3.89Å; F84-Y94 AromaticContact CE1-CD2 3.68Å; F84-Y94 HydrophobicContact CE1-CD2 3.68Å; F84-Y94 HydrophobicContact CE1-CG 4.33Å; F84-Y94 HydrophobicContact CE2-CD2 4.15Å; F84-Y94 HydrophobicContact CE2-CE2 4.22Å; F84-Y94 AromaticContact CZ-CD2 3.33Å; F84-Y94 HydrophobicContact CZ-CD2 3.33Å; F84-Y94 AromaticContact CZ-CE2 3.75Å; F84-Y94 HydrophobicContact CZ-CE2 3.75Å; F84-Y94 HydrophobicContact CZ-CG 4.21Å; F84-S219 PolarHBondContact N-O 2.71Å; F84-L222 HydrophobicContact CB-CD1 4.35Å; F84-L222 HydrophobicContact CB-CD2 4.17Å; F84-L222 HydrophobicContact CB-CG 4.31Å; F84-L222 HydrophobicContact CD1-CD1 3.62Å; F84-L222 HydrophobicContact CD1-CD2 3.69Å; F84-L222 HydrophobicContact CD1-CG 4.13Å; F84-L222 HydrophobicContact CE1-CD1 4.11Å; F84-L222 HydrophobicContact CG-CD1 4.1Å; F84-L222 HydrophobicContact CG-CD2 4.36Å; F84-L227 HydrophobicContact CD2-CD2 4.45Å; F84-F251 HydrophobicContact CE2-CB 3.96Å; F84-F251 AromaticContact CE2-CD1 3.94Å; F84-F251 HydrophobicContact CE2-CD1 3.94Å; F84-F251 HydrophobicContact CE2-CD2 4.06Å; F84-F251 HydrophobicContact CE2-CE1 4.45Å; F84-F251 AromaticContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CZ-CB 4.22Å; F84-F251 HydrophobicContact CZ-CG 4.36Å; F84-L253 HydrophobicContact CE1-CD1 4.22Å; F84-L253 HydrophobicContact CE1-CD2 4.2Å; F84-L253 HydrophobicContact CZ-CD1 4.22Å; F84-L253 HydrophobicContact CZ-CD2 4.09Å
85	G	89.8	Confident	94.1	Very high	17 Å²	17	35.7 Å²	35.7	18%	0.175	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	-175.8	-179.1	0	0	0	0	0	112.7	T95 L222	G85-T95 CarbonylContact C-O 3.56Å; G85-T95 WeakPolarHBondContact CA-O 3.37Å; G85-T95 WeakPolarHBondContact CA-OG1 3.29Å; G85-T95 PolarHBondContact N-O 2.92Å; G85-L222 WeakPolarHBondContact O-CD2 3.12Å
86	P	92.1	Very high	93.9	Very high	102 Å²	102	35.7 Å²	35.7	66%	0.662	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-59	146.2	177.7	24.6	-35.5	0	0	0	112.5	T95	P86-T95 WeakPolarHBondContact CD-OG1 3.48Å; P86-T95 PolarHBondContact O-N 3.14Å; P86-T95 VanDerWaalsContact O-N 3.15Å; P86-T95 PolarHBondContact O-OG1 3.08Å; P86-T95 VanDerWaalsContact O-OG1 3.09Å
87	V	93.9	Very high	93.8	Very high	11 Å²	11	33 Å²	33	7%	0.067	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	124.2	172.8	-179.3	0	0	0	0	107.4	F84 M175 Y225 L253	F84-V87 HydrophobicContact CD1-CG2 4.48Å; F84-V87 HydrophobicContact CE1-CG2 3.89Å; V87-M175 HydrophobicContact CG1-CE 3.35Å; V87-Y225 HydrophobicContact CB-CD2 3.93Å; V87-Y225 HydrophobicContact CB-CE2 3.83Å; V87-Y225 HydrophobicContact CG1-CD2 4.17Å; V87-Y225 HydrophobicContact CG1-CE2 3.66Å; V87-Y225 HydrophobicContact CG2-CD2 4.19Å; V87-Y225 HydrophobicContact CG2-CE2 4.5Å; V87-L253 HydrophobicContact CG2-CD1 3.92Å
88	S	93.2	Very high	93.8	Very high	34 Å²	34	33 Å²	33	24%	0.238	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	107	-179.8	-177.5	0	0	0	0	109.8	V90 E91 M92 E93	S88-V90 VanDerWaalsContact C-N 3.27Å; S88-V90 PolarHBondContact O-N 3.49Å; S88-E91 WeakPolarHBondContact OG-CB 3.31Å; S88-E91 PolarHBondContact OG-N 3.26Å; S88-M92 WeakPolarHBondContact O-CA 3.43Å; S88-M92 PolarHBondContact O-N 3.42Å; S88-E93 PolarHBondContact N-O 2.92Å; S88-E93 PolarHBondContact O-N 3.22Å
89	D	91.8	Very high	93.9	Very high	12 Å²	12	36 Å²	36	6%	0.064	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-31.4	175.7	-62	-22.1	0	0	0	111.5	Y225 R255 P312	D89-Y225 PolarHBondContact OD1-OH 2.96Å; D89-R255 IonicContact OD1-NH1 4Å; D89-R255 IonicContact OD1-NH2 3.87Å; D89-R255 IonicContact OD2-CZ 3.41Å; D89-R255 IonicContact OD2-NH1 2.95Å; D89-R255 PolarHBondContact OD2-NH1 3.45Å; D89-R255 IonicContact OD2-NH2 3.23Å; D89-R255 PolarHBondContact OD2-NH2 3.33Å; D89-P312 VanDerWaalsContact O-CG 3.28Å; D89-P312 WeakPolarHBondContact O-CG 3.38Å
90	V	90.5	Very high	93.9	Very high	93 Å²	93	36 Å²	36	56%	0.564	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-44.8	-177.7	-179.6	0	0	0	0	111.4	S88	S88-V90 VanDerWaalsContact C-N 3.27Å; S88-V90 PolarHBondContact O-N 3.49Å
91	E	92.3	Very high	93.9	Very high	111 Å²	111	36.2 Å²	36.2	52%	0.519	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-3.8	-178.6	-65.2	174	153.6	0	0	112.5	S88 E93 K139	S88-E91 WeakPolarHBondContact OG-CB 3.31Å; S88-E91 PolarHBondContact OG-N 3.26Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 HydrophobicContact CB-CG 3.86Å; E91-E93 PolarHBondContact O-N 2.89Å; E91-K139 PolarHBondContact O-NZ 2.87Å
92	M	93.3	Very high	94	Very high	57 Å²	57	36.3 Å²	36.3	28%	0.281	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	51	48.2	-175.8	-64	-174.9	174	0	0	111.6	S88 C173	S88-M92 WeakPolarHBondContact O-CA 3.43Å; S88-M92 PolarHBondContact O-N 3.42Å; M92-C173 PolarHBondContact O-N 3.26Å
93	E	95.1	Very high	94.2	Very high	27 Å²	27	36.1 Å²	36.1	13%	0.126	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	159.1	179.8	69.8	177.2	-129.5	0	0	111.7	S88 E91 K139 A171	S88-E93 PolarHBondContact N-O 2.92Å; S88-E93 PolarHBondContact O-N 3.22Å; E91-E93 VanDerWaalsContact C-N 3.27Å; E91-E93 HydrophobicContact CB-CG 3.86Å; E91-E93 PolarHBondContact O-N 2.89Å; E93-K139 HydrophobicContact CB-CD 4.32Å; E93-K139 WeakPolarHBondContact OE2-CD 3.47Å; E93-K139 IonicContact OE2-NZ 3.44Å; E93-A171 VanDerWaalsContact CA-O 3.26Å; E93-A171 WeakPolarHBondContact CA-O 3.33Å; E93-A171 WeakPolarHBondContact CB-O 3.31Å
94	Y	95.2	Very high	94.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	151.9	173.7	68.9	-73.9	0	0	0	109.2	F84 M96 S170 A171 C173 C187 P188 L189 F251	F84-Y94 AromaticContact CE1-CD2 3.68Å; F84-Y94 HydrophobicContact CE1-CD2 3.68Å; F84-Y94 HydrophobicContact CE1-CG 4.33Å; F84-Y94 HydrophobicContact CE2-CD2 4.15Å; F84-Y94 HydrophobicContact CE2-CE2 4.22Å; F84-Y94 AromaticContact CZ-CD2 3.33Å; F84-Y94 HydrophobicContact CZ-CD2 3.33Å; F84-Y94 AromaticContact CZ-CE2 3.75Å; F84-Y94 HydrophobicContact CZ-CE2 3.75Å; F84-Y94 HydrophobicContact CZ-CG 4.21Å; Y94-M96 HydrophobicContact CD2-CE 4.2Å; Y94-M96 HydrophobicContact CE2-CE 3.25Å; Y94-M96 HydrophobicContact CE2-SD 4.03Å; Y94-M96 WeakPolarHBondContact OH-CE 3.21Å; Y94-S170 CarbonylContact O-C 3.6Å; Y94-S170 WeakPolarHBondContact O-CA 3.49Å; Y94-A171 HydrophobicContact CD1-CB 4.3Å; Y94-A171 VanDerWaalsContact CD1-O 3.25Å; Y94-A171 WeakPolarHBondContact CD1-O 3.48Å; Y94-A171 HydrophobicContact CE1-CB 3.61Å; Y94-A171 PolarHBondContact N-O 3.17Å; Y94-A171 PolarHBondContact O-N 3.06Å; Y94-C173 HydrophobicContact CD1-CB 3.63Å; Y94-C173 HydrophobicContact CE1-CB 3.96Å; Y94-C187 HydrophobicContact CD1-CB 4Å; Y94-C187 HydrophobicContact CE1-CB 3.75Å; Y94-P188 PolarHBondContact OH-O 2.95Å; Y94-L189 WeakPolarHBondContact OH-CB 3.42Å; Y94-L189 PolarHBondContact OH-N 2.72Å; Y94-F251 HydrophobicContact CE2-CD2 4.08Å; Y94-F251 HydrophobicContact CE2-CE2 4.44Å
95	T	94.9	Very high	94.6	Very high	28 Å²	28	37.5 Å²	37.5	17%	0.172	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	147.8	180	56.2	0	0	0	0	110	G85 P86 I169 S170	G85-T95 CarbonylContact C-O 3.56Å; G85-T95 WeakPolarHBondContact CA-O 3.37Å; G85-T95 WeakPolarHBondContact CA-OG1 3.29Å; G85-T95 PolarHBondContact N-O 2.92Å; P86-T95 WeakPolarHBondContact CD-OG1 3.48Å; P86-T95 PolarHBondContact O-N 3.14Å; P86-T95 VanDerWaalsContact O-N 3.15Å; P86-T95 PolarHBondContact O-OG1 3.08Å; P86-T95 VanDerWaalsContact O-OG1 3.09Å; T95-I169 CarbonylContact C-O 3.55Å; T95-I169 VanDerWaalsContact CA-O 3.31Å; T95-I169 WeakPolarHBondContact CA-O 3.49Å; T95-S170 WeakPolarHBondContact CG2-OG 3.09Å
96	M	94.5	Very high	94.9	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	148.7	172.7	63.3	-174	132.7	0	0	110.5	S83 Y94 V98 T168 I169 A171 L189 F251	S83-M96 WeakPolarHBondContact O-CA 3.45Å; Y94-M96 HydrophobicContact CD2-CE 4.2Å; Y94-M96 HydrophobicContact CE2-CE 3.25Å; Y94-M96 HydrophobicContact CE2-SD 4.03Å; Y94-M96 WeakPolarHBondContact OH-CE 3.21Å; M96-V98 HydrophobicContact CG-CG1 3.95Å; M96-V98 HydrophobicContact SD-CG1 3.97Å; M96-T168 CarbonylContact O-C 3.51Å; M96-T168 WeakPolarHBondContact O-CA 3.39Å; M96-I169 HydrophobicContact CE-CB 4.48Å; M96-I169 HydrophobicContact CE-CG2 4.46Å; M96-I169 HydrophobicContact CG-CB 4.36Å; M96-I169 PolarHBondContact N-O 3.48Å; M96-I169 PolarHBondContact O-N 2.88Å; M96-A171 HydrophobicContact CE-CB 4.49Å; M96-L189 HydrophobicContact CE-CB 4.04Å; M96-L189 HydrophobicContact CE-CD1 3.48Å; M96-L189 VanDerWaalsContact CE-CD1 3.48Å; M96-L189 HydrophobicContact CE-CD2 3.58Å; M96-L189 HydrophobicContact CE-CG 3.87Å; M96-L189 HydrophobicContact SD-CD2 4.09Å; M96-F251 HydrophobicContact CE-CE2 4.16Å; M96-F251 HydrophobicContact SD-CE2 3.85Å; M96-F251 HydrophobicContact SD-CZ 4.12Å
97	D	94.9	Very high	95	Very high	29 Å²	29	41.6 Å²	41.6	16%	0.155	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.7	167.8	-67.8	-14.7	0	0	0	109.3	T82 S83 R166 L167 T168	T82-D97 PolarHBondContact N-O 3.48Å; T82-D97 VanDerWaalsContact OG1-C 3.32Å; T82-D97 WeakPolarHBondContact OG1-CB 3.38Å; T82-D97 PolarHBondContact OG1-O 3.39Å; S83-D97 PolarHBondContact N-O 2.84Å; S83-D97 PolarHBondContact O-N 2.84Å; S83-D97 WeakPolarHBondContact OG-CB 3.27Å; S83-D97 PolarHBondContact OG-OD2 3.46Å; D97-R166 IonicContact OD2-NH2 3.57Å; D97-L167 CarbonylContact C-O 3.57Å; D97-L167 WeakPolarHBondContact CA-O 3.35Å; D97-T168 VanDerWaalsContact OD1-CB 3.26Å; D97-T168 WeakPolarHBondContact OD1-CB 3.48Å; D97-T168 VanDerWaalsContact OD1-CG2 3.31Å; D97-T168 WeakPolarHBondContact OD1-CG2 3.33Å; D97-T168 PolarHBondContact OD1-OG1 3.22Å
98	V	96.2	Very high	95	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	148.2	-179	-56.3	0	0	0	0	111.4	I79 Y80 V81 M96 F100 R166 L167 I169	I79-V98 HydrophobicContact CG2-CB 4.13Å; I79-V98 HydrophobicContact CG2-CG1 4.06Å; Y80-V98 CarbonylContact O-C 3.58Å; Y80-V98 WeakPolarHBondContact O-CA 3.31Å; V81-V98 HydrophobicContact CG2-CG1 4.14Å; M96-V98 HydrophobicContact CG-CG1 3.95Å; M96-V98 HydrophobicContact SD-CG1 3.97Å; V98-F100 HydrophobicContact CG2-CB 4.33Å; V98-R166 WeakPolarHBondContact O-CA 3.35Å; V98-L167 HydrophobicContact CG2-CB 4.12Å; V98-L167 PolarHBondContact N-O 3.49Å; V98-L167 PolarHBondContact O-N 3.11Å; V98-I169 HydrophobicContact CG2-CD1 3.58Å; V98-I169 HydrophobicContact CG2-CG1 4.46Å
99	F	96.6	Very high	95	Very high	72 Å²	72	43.8 Å²	43.8	32%	0.316	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	106.8	152.7	-69.1	-67.2	0	0	0	108.3	Y80 T82 T164 M165 R166	Y80-F99 AromaticContact CD1-CD2 3.97Å; Y80-F99 HydrophobicContact CD1-CD2 3.97Å; Y80-F99 PolarHBondContact N-O 3.35Å; Y80-F99 PolarHBondContact O-N 2.8Å; T82-F99 HydrophobicContact CG2-CD2 3.36Å; T82-F99 HydrophobicContact CG2-CE2 3.32Å; T82-F99 HydrophobicContact CG2-CG 4.39Å; T82-F99 HydrophobicContact CG2-CZ 4.33Å; F99-T164 HydrophobicContact CB-CG2 4.22Å; F99-T164 HydrophobicContact CD1-CG2 4.34Å; F99-M165 WeakPolarHBondContact CA-O 3.49Å; F99-R166 HydrophobicContact CD1-CB 3.87Å; F99-R166 HydrophobicContact CD1-CG 4.09Å; F99-R166 HydrophobicContact CE1-CB 3.7Å; F99-R166 HydrophobicContact CE1-CG 3.78Å; F99-R166 HydrophobicContact CZ-CG 4.35Å
100	F	97.3	Very high	95.1	Very high	3 Å²	3	48 Å²	48	1%	0.013	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.4	175.9	-170.9	-111.9	0	0	0	109.2	T77 I79 V98 Q102 T133 F135 T164 M165 L167 F191	T77-F100 HydrophobicContact CG2-CZ 4.17Å; I79-F100 HydrophobicContact CD1-CD2 4.16Å; I79-F100 HydrophobicContact CD1-CE2 4.1Å; I79-F100 HydrophobicContact CG1-CD2 3.9Å; I79-F100 HydrophobicContact CG1-CE2 4.09Å; V98-F100 HydrophobicContact CG2-CB 4.33Å; F100-Q102 HydrophobicContact CD1-CG 3.91Å; F100-Q102 HydrophobicContact CE1-CG 3.54Å; F100-Q102 HydrophobicContact CZ-CG 4.22Å; F100-T133 HydrophobicContact CE1-CG2 3.82Å; F100-T133 HydrophobicContact CZ-CG2 3.8Å; F100-F135 HydrophobicContact CD2-CZ 4.32Å; F100-F135 HydrophobicContact CE2-CZ 4.49Å; F100-F135 HydrophobicContact CG-CZ 4.5Å; F100-T164 CarbonylContact O-C 3.42Å; F100-T164 WeakPolarHBondContact O-CA 3.41Å; F100-M165 HydrophobicContact CB-CG 4.08Å; F100-M165 HydrophobicContact CD1-CG 4.47Å; F100-M165 PolarHBondContact N-O 3.32Å; F100-M165 PolarHBondContact O-N 3.11Å; F100-L167 HydrophobicContact CB-CD1 4.07Å; F100-F191 HydrophobicContact CE2-CD1 4.44Å; F100-F191 HydrophobicContact CE2-CD2 4.11Å; F100-F191 HydrophobicContact CE2-CE1 4.26Å; F100-F191 AromaticContact CE2-CE2 3.92Å; F100-F191 HydrophobicContact CE2-CE2 3.92Å; F100-F191 HydrophobicContact CE2-CG 4.36Å; F100-F191 AromaticContact CE2-CZ 3.98Å; F100-F191 HydrophobicContact CE2-CZ 3.98Å; F100-F191 AromaticContact CZ-CD2 3.81Å; F100-F191 HydrophobicContact CZ-CD2 3.81Å; F100-F191 AromaticContact CZ-CE2 3.81Å; F100-F191 HydrophobicContact CZ-CE2 3.81Å; F100-F191 HydrophobicContact CZ-CG 4.36Å; F100-F191 HydrophobicContact CZ-CZ 4.35Å
101	R	96.9	Very high	95.1	Very high	77 Å²	77	44.3 Å²	44.3	29%	0.291	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	138.2	-175.5	-60.9	173.2	174.8	166.2	2.5	110.3	T77 D78 Y163 T164	T77-R101 WeakPolarHBondContact CA-O 3.49Å; D78-R101 HydrophobicContact CB-CB 3.99Å; D78-R101 PolarHBondContact N-O 2.97Å; D78-R101 WeakPolarHBondContact O-CA 3.49Å; D78-R101 WeakPolarHBondContact O-CB 3.37Å; D78-R101 PolarHBondContact O-N 3.49Å; D78-R101 VanDerWaalsContact OD2-CD 3.23Å; D78-R101 WeakPolarHBondContact OD2-CD 3.34Å; D78-R101 IonicContact OD2-CZ 3.51Å; D78-R101 IonicContact OD2-NE 3.79Å; D78-R101 IonicContact OD2-NH1 3.11Å; D78-R101 PolarHBondContact OD2-NH1 3.3Å; R101-Y163 CarbonylContact C-O 3.59Å; R101-Y163 WeakPolarHBondContact CA-O 3.46Å; R101-T164 HydrophobicContact CG-CG2 3.65Å
102	Q	97.4	Very high	94.8	Very high	1 Å²	1	46 Å²	46	1%	0.005	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	134	-179.2	-50.1	-168	-79.9	0	0	109.1	V75 K76 T77 F100 W104 T133 Y163	V75-Q102 HydrophobicContact CG1-CB 4.17Å; K76-Q102 CarbonylContact O-C 3.56Å; K76-Q102 WeakPolarHBondContact O-CA 3.41Å; T77-Q102 HydrophobicContact CG2-CG 4.33Å; F100-Q102 HydrophobicContact CD1-CG 3.91Å; F100-Q102 HydrophobicContact CE1-CG 3.54Å; F100-Q102 HydrophobicContact CZ-CG 4.22Å; Q102-W104 HydrophobicContact CB-CE3 4.28Å; Q102-W104 HydrophobicContact CB-CZ3 4.05Å; Q102-T133 PolarHBondContact NE2-OG1 2.98Å; Q102-Y163 PolarHBondContact N-O 3.42Å; Q102-Y163 PolarHBondContact O-N 2.87Å
103	T	97.4	Very high	94.4	Very high	30 Å²	30	44.3 Å²	44.3	18%	0.184	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	125.3	178.3	-53.9	0	0	0	0	109.5	K76 T160 I161 L162	K76-T103 PolarHBondContact N-O 2.79Å; K76-T103 PolarHBondContact O-N 3.49Å; T103-T160 HydrophobicContact CG2-CG2 3.46Å; T103-T160 VanDerWaalsContact CG2-CG2 3.46Å; T103-I161 WeakPolarHBondContact CA-O 3.29Å; T103-I161 WeakPolarHBondContact CG2-O 3.33Å; T103-L162 WeakPolarHBondContact OG1-CD1 3.34Å
104	W	97.2	Very high	93.8	Very high	3 Å²	3	46.8 Å²	46.8	1%	0.011	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	167	174	68.6	96.4	0	0	0	109.9	V75 Q102 W129 T130 P131 F153 T160 I161 Y163	V75-W104 HydrophobicContact CG2-CB 4.18Å; Q102-W104 HydrophobicContact CB-CE3 4.28Å; Q102-W104 HydrophobicContact CB-CZ3 4.05Å; W104-W129 AromaticContact CD1-CZ3 3.93Å; W104-W129 HydrophobicContact CD2-CZ3 4.49Å; W104-W129 HydrophobicContact CG-CZ3 4.35Å; W104-W129 WeakPolarHBondContact CZ2-O 3.23Å; W104-W129 AromaticContact NE1-CE3 3.76Å; W104-W129 AromaticContact NE1-CZ3 3.78Å; W104-T130 HydrophobicContact CH2-CG2 4.1Å; W104-T130 HydrophobicContact CZ2-CG2 4.28Å; W104-P131 HydrophobicContact CE3-CG 4.2Å; W104-P131 HydrophobicContact CZ3-CG 4.08Å; W104-F153 HydrophobicContact CH2-CE2 4.13Å; W104-F153 HydrophobicContact CZ2-CE2 4.3Å; W104-T160 WeakPolarHBondContact O-CA 3.33Å; W104-I161 HydrophobicContact CD2-CB 4.18Å; W104-I161 HydrophobicContact CH2-CB 4.39Å; W104-I161 HydrophobicContact CH2-CG2 3.76Å; W104-I161 HydrophobicContact CZ2-CB 3.99Å; W104-I161 HydrophobicContact CZ2-CD1 3.81Å; W104-I161 HydrophobicContact CZ2-CG1 4.5Å; W104-I161 HydrophobicContact CZ2-CG2 3.64Å; W104-I161 HydrophobicContact CZ3-CG2 4.28Å; W104-I161 PolarHBondContact N-O 2.86Å; W104-I161 PolarHBondContact O-N 3.07Å; W104-Y163 HydrophobicContact CH2-CD1 4.19Å; W104-Y163 HydrophobicContact CH2-CG 4.2Å; W104-Y163 HydrophobicContact CZ3-CD1 4.29Å; W104-Y163 HydrophobicContact CZ3-CG 4.36Å
105	V	96.7	Very high	93.4	Very high	79 Å²	79	47.9 Å²	47.9	48%	0.479	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	122.4	179.2	-177.1	0	0	0	0	109.2
106	D	96	Very high	93	Very high	2 Å²	2	53.7 Å²	53.7	1%	0.011	26%	0.257	C	S	.	.			trans	-117.1	107.4	167.6	-166.2	-18.1	0	0	0	110.1	Y60 P66 R108 L109 G159 I161	Y60-D106 WeakPolarHBondContact CE2-OD2 3.29Å; Y60-D106 PolarHBondContact OH-OD2 3.14Å; Y60-D106 VanDerWaalsContact OH-OD2 3.09Å; P66-D106 HydrophobicContact CB-CB 4.14Å; P66-D106 HydrophobicContact CG-CB 3.97Å; D106-R108 PolarHBondContact O-N 3.19Å; D106-R108 VanDerWaalsContact OD1-CB 3.29Å; D106-R108 WeakPolarHBondContact OD1-CB 3.32Å; D106-R108 WeakPolarHBondContact OD1-CG 3.49Å; D106-R108 IonicContact OD1-CZ 3.79Å; D106-R108 PolarHBondContact OD1-N 3.19Å; D106-R108 IonicContact OD1-NE 2.98Å; D106-R108 PolarHBondContact OD1-NE 3.45Å; D106-R108 IonicContact OD1-NH2 3.83Å; D106-R108 IonicContact OD2-CZ 3.08Å; D106-R108 IonicContact OD2-NE 2.75Å; D106-R108 PolarHBondContact OD2-NE 2.86Å; D106-R108 IonicContact OD2-NH2 3.86Å; D106-R108 PolarHBondContact OD2-NH2 3.05Å; D106-L109 HydrophobicContact CB-CD1 4.31Å; D106-L109 HydrophobicContact CB-CG 4.39Å; D106-L109 PolarHBondContact O-N 2.89Å; D106-L109 VanDerWaalsContact O-N 3.16Å; D106-G159 PolarHBondContact N-O 3.09Å; D106-G159 WeakPolarHBondContact O-CA 3.46Å; D106-I161 HydrophobicContact CB-CD1 4.02Å
107	R	93.6	Very high	92.9	Very high	204 Å²	204	56.2 Å²	56.2	77%	0.77	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-63.3	-22.6	-179.7	-63.3	-175.2	-176.5	178.1	0.6	112.9	L109 M110	R107-L109 PolarHBondContact O-N 2.98Å; R107-M110 HydrophobicContact CB-SD 4.25Å; R107-M110 HydrophobicContact CG-SD 4.5Å; R107-M110 WeakPolarHBondContact O-CB 3.18Å; R107-M110 WeakPolarHBondContact O-CG 3.33Å; R107-M110 PolarHBondContact O-N 2.8Å
108	R	94.1	Very high	92.6	Very high	90 Å²	90	55.3 Å²	55.3	34%	0.34	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-70.8	-20.8	179.3	-58.3	172.9	-67.9	178.1	1	112.5	Y60 D61 L64 D106	Y60-R108 HydrophobicContact CD2-CB 3.97Å; Y60-R108 HydrophobicContact CE2-CB 4Å; Y60-R108 PolarHBondContact OH-NH2 2.8Å; Y60-R108 VanDerWaalsContact OH-NH2 3.09Å; D61-R108 PolarHBondContact O-NH1 3.31Å; D61-R108 VanDerWaalsContact O-NH1 3.07Å; L64-R108 PolarHBondContact O-NH1 3.19Å; L64-R108 PolarHBondContact O-NH2 2.86Å; L64-R108 VanDerWaalsContact O-NH2 3.11Å; D106-R108 PolarHBondContact O-N 3.19Å; D106-R108 VanDerWaalsContact OD1-CB 3.29Å; D106-R108 WeakPolarHBondContact OD1-CB 3.32Å; D106-R108 WeakPolarHBondContact OD1-CG 3.49Å; D106-R108 IonicContact OD1-CZ 3.79Å; D106-R108 PolarHBondContact OD1-N 3.19Å; D106-R108 IonicContact OD1-NE 2.98Å; D106-R108 PolarHBondContact OD1-NE 3.45Å; D106-R108 IonicContact OD1-NH2 3.83Å; D106-R108 IonicContact OD2-CZ 3.08Å; D106-R108 IonicContact OD2-NE 2.75Å; D106-R108 PolarHBondContact OD2-NE 2.86Å; D106-R108 IonicContact OD2-NH2 3.86Å; D106-R108 PolarHBondContact OD2-NH2 3.05Å
109	L	93.7	Very high	92.2	Very high	0 Å²	0	64 Å²	64	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-102.2	19.4	178.9	-56.3	177.3	0	0	0	112.4	L56 Y60 D106 R107 V128 I155 I161	L56-L109 HydrophobicContact CD1-CB 4.26Å; L56-L109 HydrophobicContact CD1-CD2 4.42Å; L56-L109 HydrophobicContact CD2-CB 4.42Å; L56-L109 HydrophobicContact CD2-CD2 4.11Å; L56-L109 HydrophobicContact CG-CB 4.39Å; L56-L109 HydrophobicContact CG-CD2 3.79Å; Y60-L109 HydrophobicContact CD2-CD2 3.64Å; Y60-L109 HydrophobicContact CD2-CG 4.33Å; Y60-L109 HydrophobicContact CE2-CD1 4.33Å; Y60-L109 HydrophobicContact CE2-CD2 3.62Å; Y60-L109 HydrophobicContact CE2-CG 3.87Å; Y60-L109 HydrophobicContact CG-CD2 4.41Å; D106-L109 HydrophobicContact CB-CD1 4.31Å; D106-L109 HydrophobicContact CB-CG 4.39Å; D106-L109 PolarHBondContact O-N 2.89Å; D106-L109 VanDerWaalsContact O-N 3.16Å; R107-L109 PolarHBondContact O-N 2.98Å; L109-V128 HydrophobicContact CD1-CG1 3.48Å; L109-V128 VanDerWaalsContact CD1-CG1 3.48Å; L109-V128 HydrophobicContact CD1-CG2 4.24Å; L109-I155 HydrophobicContact CB-CG2 4.2Å; L109-I155 HydrophobicContact CD1-CD1 4.16Å; L109-I161 HydrophobicContact CD1-CD1 3.36Å; L109-I161 HydrophobicContact CD1-CG1 4.25Å
110	M	92.6	Very high	91.6	Very high	102 Å²	102	62.2 Å²	62.2	50%	0.502	29%	0.292	S	S	.	.			trans	-68.6	139.6	167.9	-70.6	177.7	65.3	0	0	109.4	R107	R107-M110 HydrophobicContact CB-SD 4.25Å; R107-M110 HydrophobicContact CG-SD 4.5Å; R107-M110 WeakPolarHBondContact O-CB 3.18Å; R107-M110 WeakPolarHBondContact O-CG 3.33Å; R107-M110 PolarHBondContact O-N 2.8Å
111	Y	90.3	Very high	90.9	Very high	15 Å²	15	67.4 Å²	67.4	6%	0.059	32%	0.32	C	S	.	.			trans	-142.2	153	179	68.6	-87.5	0	0	0	110.8	I52 V115 E116 I117 L118 I155 K157	I52-Y111 HydrophobicContact CG2-CD2 3.88Å; I52-Y111 HydrophobicContact CG2-CG 4.03Å; Y111-V115 WeakPolarHBondContact CE2-O 3.39Å; Y111-V115 PolarHBondContact OH-O 2.78Å; Y111-E116 PolarHBondContact OH-O 3.09Å; Y111-I117 PolarHBondContact OH-N 2.78Å; Y111-L118 HydrophobicContact CD1-CD1 3.83Å; Y111-L118 HydrophobicContact CD1-CG 4.47Å; Y111-L118 HydrophobicContact CD2-CD1 4.45Å; Y111-L118 HydrophobicContact CE1-CD1 3.56Å; Y111-L118 HydrophobicContact CE1-CG 3.73Å; Y111-L118 HydrophobicContact CE2-CD1 4.23Å; Y111-L118 HydrophobicContact CE2-CD2 4.33Å; Y111-L118 HydrophobicContact CE2-CG 4.12Å; Y111-L118 HydrophobicContact CG-CD1 4.28Å; Y111-I155 HydrophobicContact CD1-CG2 4.48Å; Y111-I155 HydrophobicContact CE1-CG2 4.24Å; Y111-K157 HydrophobicContact CE2-CG 4.47Å; Y111-K157 WeakPolarHBondContact O-CG 3.37Å
112	E	87.9	Confident	90.1	Very high	145 Å²	145	65.1 Å²	65.1	68%	0.678	31%	0.313	S	S	*	.			trans	-105	128.6	172.4	-74	-60.4	140.9	0	0	109.5	K157	E112-K157 VanDerWaalsContact CD-CE 3.41Å; E112-K157 WeakPolarHBondContact OE1-CE 3.36Å; E112-K157 IonicContact OE1-NZ 3.31Å; E112-K157 WeakPolarHBondContact OE2-CE 3.34Å; E112-K157 IonicContact OE2-NZ 3.71Å; E112-K157 PolarHBondContact OE2-NZ 3.44Å
113	G	83.9	Confident	89.3	Confident	23 Å²	23	71.3 Å²	71.3	24%	0.237	35%	0.346	C	S	.	.	S	Bend	trans	-179.8	170	-178.8	0	0	0	0	0	112.3	V115	G113-V115 PolarHBondContact O-N 3.09Å
114	P	83.1	Confident	88.6	Confident	78 Å²	78	70.6 Å²	70.6	51%	0.506	34%	0.34	S	S	.	.	S	Bend	trans	-71.9	-14.2	-179.8	29.4	-35.1	0	0	0	113	I44	I44-P114 HydrophobicContact CG2-CG 4.35Å
115	V	85.5	Confident	88	Confident	24 Å²	24	70.8 Å²	70.8	15%	0.145	34%	0.342	C	S	.	.			trans	-102	124.8	-176	-179.3	0	0	0	0	111.1	I44 F49 Y111 G113 I117	I44-V115 HydrophobicContact CD1-CG2 3.95Å; I44-V115 HydrophobicContact CG2-CG2 3.94Å; F49-V115 HydrophobicContact CE1-CB 3.91Å; F49-V115 HydrophobicContact CE1-CG1 4.07Å; F49-V115 HydrophobicContact CE1-CG2 3.4Å; F49-V115 VanDerWaalsContact CE1-CG2 3.4Å; F49-V115 HydrophobicContact CE2-CG2 4.43Å; F49-V115 HydrophobicContact CZ-CB 4.31Å; F49-V115 HydrophobicContact CZ-CG2 3.33Å; Y111-V115 WeakPolarHBondContact CE2-O 3.39Å; Y111-V115 PolarHBondContact OH-O 2.78Å; G113-V115 PolarHBondContact O-N 3.09Å; V115-I117 VanDerWaalsContact CG1-O 3.3Å; V115-I117 WeakPolarHBondContact CG1-O 3.35Å
116	E	87.6	Confident	87.5	Confident	150 Å²	150	72 Å²	72	70%	0.701	35%	0.35	S	S	*	.	S	Bend	trans	-73.9	-30.2	179.8	-64.5	-175.4	165.5	0	0	113.9	Y111 M156 K157	Y111-E116 PolarHBondContact OH-O 3.09Å; E116-M156 CarbonylContact O-C 3.59Å; E116-M156 WeakPolarHBondContact O-CA 3.27Å; E116-K157 PolarHBondContact O-N 3.44Å
117	I	91.1	Very high	87.2	Confident	54 Å²	54	77.6 Å²	77.6	28%	0.277	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	113.9	-175.4	-53.2	176.2	0	0	0	110.6	Y111 V115 R119 R154 I155 M156	Y111-I117 PolarHBondContact OH-N 2.78Å; V115-I117 VanDerWaalsContact CG1-O 3.3Å; V115-I117 WeakPolarHBondContact CG1-O 3.35Å; I117-R119 HydrophobicContact CG2-CG 4.46Å; I117-R119 PolarHBondContact O-N 3.23Å; I117-R154 HydrophobicContact CG2-CB 3.91Å; I117-R154 HydrophobicContact CG2-CG 4.22Å; I117-I155 WeakPolarHBondContact CA-O 3.36Å; I117-M156 HydrophobicContact CG1-CG 4.5Å
118	L	88.9	Confident	87.2	Confident	9 Å²	9	68.1 Å²	68.1	5%	0.047	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	117.6	168.7	-61.1	176.2	0	0	0	109.5	F49 I52 L56 Y111 L120 R154 I155	F49-L118 HydrophobicContact CD1-CD2 3.89Å; F49-L118 HydrophobicContact CE1-CD2 4.07Å; I52-L118 HydrophobicContact CG2-CD1 4.18Å; L56-L118 HydrophobicContact CD2-CD1 4.42Å; Y111-L118 HydrophobicContact CD1-CD1 3.83Å; Y111-L118 HydrophobicContact CD1-CG 4.47Å; Y111-L118 HydrophobicContact CD2-CD1 4.45Å; Y111-L118 HydrophobicContact CE1-CD1 3.56Å; Y111-L118 HydrophobicContact CE1-CG 3.73Å; Y111-L118 HydrophobicContact CE2-CD1 4.23Å; Y111-L118 HydrophobicContact CE2-CD2 4.33Å; Y111-L118 HydrophobicContact CE2-CG 4.12Å; Y111-L118 HydrophobicContact CG-CD1 4.28Å; L118-L120 HydrophobicContact CB-CD1 4.33Å; L118-L120 HydrophobicContact CB-CD2 4.19Å; L118-L120 HydrophobicContact CB-CG 4.14Å; L118-R154 VanDerWaalsContact O-CA 3.28Å; L118-R154 WeakPolarHBondContact O-CA 3.35Å; L118-I155 HydrophobicContact CB-CB 4.38Å; L118-I155 PolarHBondContact N-O 3.43Å; L118-I155 PolarHBondContact O-N 2.76Å; L118-I155 VanDerWaalsContact O-N 3.08Å
119	R	88.9	Confident	87.2	Confident	182 Å²	182	64.1 Å²	64.1	69%	0.687	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.7	106.2	174.5	-60	179.9	-176.9	101.5	-1	107.9	I117 R154	I117-R119 HydrophobicContact CG2-CG 4.46Å; I117-R119 PolarHBondContact O-N 3.23Å; R119-R154 HydrophobicContact CG-CG 4.5Å
120	L	84.3	Confident	87.3	Confident	35 Å²	35	66.4 Å²	66.4	18%	0.183	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	151.8	-168.1	-59.6	173.5	0	0	0	111.6	L53 L118 M124 F153 I155	L53-L120 HydrophobicContact CD1-CD1 4.16Å; L53-L120 HydrophobicContact CD1-CD2 3.88Å; L53-L120 HydrophobicContact CD2-CD2 4.43Å; L118-L120 HydrophobicContact CB-CD1 4.33Å; L118-L120 HydrophobicContact CB-CD2 4.19Å; L118-L120 HydrophobicContact CB-CG 4.14Å; L120-M124 HydrophobicContact CB-CB 4.03Å; L120-M124 HydrophobicContact CB-CG 4.35Å; L120-M124 HydrophobicContact CD1-CB 4.31Å; L120-M124 HydrophobicContact CD1-CE 4.3Å; L120-M124 HydrophobicContact CD1-CG 3.69Å; L120-M124 HydrophobicContact CD1-SD 4.48Å; L120-F153 HydrophobicContact CB-CD1 4.45Å; L120-F153 HydrophobicContact CD1-CD1 4.23Å; L120-F153 PolarHBondContact N-O 2.9Å; L120-F153 VanDerWaalsContact N-O 3.11Å; L120-I155 HydrophobicContact CD1-CD1 3.49Å; L120-I155 VanDerWaalsContact CD1-CD1 3.49Å; L120-I155 HydrophobicContact CD1-CG1 3.86Å
121	N	82	Confident	87.5	Confident	113 Å²	113	62 Å²	62	60%	0.604	32%	0.316	S	S	*	.			trans	-75.4	161.5	173.2	-166.8	-2.2	0	0	0	110.5	L123 M124	N121-L123 PolarHBondContact O-N 3Å; N121-M124 WeakPolarHBondContact O-CB 3.37Å; N121-M124 PolarHBondContact O-N 3.21Å
122	N	79.4	Confident	87.7	Confident	29 Å²	29	63.5 Å²	63.5	16%	0.155	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-54.1	-27.2	-179.3	-65.5	-32.5	0	0	0	114.7	M124 V125 P149 K151	N122-M124 PolarHBondContact O-N 3.32Å; N122-V125 WeakPolarHBondContact O-CB 3.44Å; N122-V125 PolarHBondContact O-N 2.98Å; N122-V125 VanDerWaalsContact O-N 3.11Å; N122-P149 HydrophobicContact CB-CB 4.43Å; N122-P149 WeakPolarHBondContact ND2-CB 3.44Å; N122-P149 PolarHBondContact ND2-O 3.31Å; N122-K151 VanDerWaalsContact OD1-CB 3.31Å; N122-K151 WeakPolarHBondContact OD1-CB 3.23Å; N122-K151 PolarHBondContact OD1-O 2.82Å
123	L	81	Confident	88.2	Confident	131 Å²	131	58 Å²	58	69%	0.686	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-60.9	-26.2	176.5	-67.1	173	0	0	0	113	N121 T126	N121-L123 PolarHBondContact O-N 3Å; L123-T126 PolarHBondContact O-OG1 3.07Å; L123-T126 VanDerWaalsContact O-OG1 3.11Å
124	M	82.3	Confident	88.7	Confident	14 Å²	14	60 Å²	60	7%	0.069	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-74	-30.7	176.8	-171.2	70.6	172.3	0	0	112.2	L53 L56 L57 L120 N121 N122 T126 K127 V128 F153 I155	L53-M124 HydrophobicContact CD1-CE 3.63Å; L53-M124 HydrophobicContact CD1-SD 3.8Å; L56-M124 HydrophobicContact CD2-CE 4.23Å; L57-M124 HydrophobicContact CD1-CE 3.84Å; L57-M124 HydrophobicContact CD1-SD 3.77Å; L57-M124 HydrophobicContact CD2-CE 3.47Å; L57-M124 VanDerWaalsContact CD2-CE 3.47Å; L57-M124 HydrophobicContact CD2-SD 4.3Å; L57-M124 HydrophobicContact CG-CE 3.67Å; L57-M124 HydrophobicContact CG-SD 4.3Å; L120-M124 HydrophobicContact CB-CB 4.03Å; L120-M124 HydrophobicContact CB-CG 4.35Å; L120-M124 HydrophobicContact CD1-CB 4.31Å; L120-M124 HydrophobicContact CD1-CE 4.3Å; L120-M124 HydrophobicContact CD1-CG 3.69Å; L120-M124 HydrophobicContact CD1-SD 4.48Å; N121-M124 WeakPolarHBondContact O-CB 3.37Å; N121-M124 PolarHBondContact O-N 3.21Å; N122-M124 PolarHBondContact O-N 3.32Å; M124-T126 PolarHBondContact O-N 2.88Å; M124-K127 PolarHBondContact O-N 2.84Å; M124-V128 HydrophobicContact CE-CG2 3.76Å; M124-V128 HydrophobicContact CG-CG2 4.12Å; M124-V128 PolarHBondContact O-N 2.79Å; M124-V128 HydrophobicContact SD-CG2 4.43Å; M124-F153 HydrophobicContact CG-CD1 4.46Å; M124-F153 HydrophobicContact CG-CE1 4.42Å; M124-I155 HydrophobicContact CE-CD1 4.4Å
125	V	84.6	Confident	89.4	Confident	8 Å²	8	57.6 Å²	57.6	5%	0.048	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-32.1	-174.4	-178.5	0	0	0	0	111.7	N122 K127 T130 F153 Y163	N122-V125 WeakPolarHBondContact O-CB 3.44Å; N122-V125 PolarHBondContact O-N 2.98Å; N122-V125 VanDerWaalsContact O-N 3.11Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-T130 HydrophobicContact CG1-CG2 4.15Å; V125-F153 HydrophobicContact CG2-CB 3.66Å; V125-F153 HydrophobicContact CG2-CD2 3.94Å; V125-F153 HydrophobicContact CG2-CG 3.88Å; V125-Y163 HydrophobicContact CG1-CE2 3.8Å; V125-Y163 HydrophobicContact CG2-CE2 4.34Å
126	T	85.9	Confident	89.9	Confident	105 Å²	105	60.3 Å²	60.3	64%	0.644	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-18.4	178.7	56.8	0	0	0	0	113.4	N62 L123 M124	N62-T126 PolarHBondContact ND2-O 2.76Å; N62-T126 VanDerWaalsContact ND2-O 3.16Å; L123-T126 PolarHBondContact O-OG1 3.07Å; L123-T126 VanDerWaalsContact O-OG1 3.11Å; M124-T126 PolarHBondContact O-N 2.88Å
127	K	90.3	Very high	90.3	Very high	119 Å²	119	54.2 Å²	54.2	52%	0.517	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-12.5	-179.9	-62	-170.1	-179.5	-175.4	0	113.4	L57 N62 M124 V125	L57-K127 HydrophobicContact CD1-CB 4.25Å; L57-K127 HydrophobicContact CD1-CD 3.67Å; L57-K127 HydrophobicContact CD2-CB 4.35Å; N62-K127 WeakPolarHBondContact CB-O 3.37Å; M124-K127 PolarHBondContact O-N 2.84Å; V125-K127 VanDerWaalsContact C-N 3.33Å
128	V	93	Very high	90.5	Very high	4 Å²	4	53 Å²	53	2%	0.024	27%	0.266	C	S	.	.	S	Bend	trans	-109	150	-179.2	-178.2	0	0	0	0	109.6	L57 Y60 L109 M124 T130 F153 I161	L57-V128 HydrophobicContact CD2-CG2 4.33Å; Y60-V128 HydrophobicContact CE1-CG1 4.42Å; L109-V128 HydrophobicContact CD1-CG1 3.48Å; L109-V128 VanDerWaalsContact CD1-CG1 3.48Å; L109-V128 HydrophobicContact CD1-CG2 4.24Å; M124-V128 HydrophobicContact CE-CG2 3.76Å; M124-V128 HydrophobicContact CG-CG2 4.12Å; M124-V128 PolarHBondContact O-N 2.79Å; M124-V128 HydrophobicContact SD-CG2 4.43Å; V128-T130 PolarHBondContact O-N 3.46Å; V128-F153 HydrophobicContact CB-CZ 4.01Å; V128-F153 HydrophobicContact CG1-CZ 3.85Å; V128-F153 HydrophobicContact CG2-CE1 4.34Å; V128-F153 HydrophobicContact CG2-CZ 4.31Å; V128-I161 HydrophobicContact CG1-CD1 4.04Å
129	W	95.5	Very high	90.7	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.027	29%	0.285	C	S	.	.			trans	-66.2	133	174.1	177	91.5	0	0	0	108.8	Y60 N62 R65 P66 T73 W104 P131 Y196 M201	Y60-W129 VanDerWaalsContact OH-CB 3.29Å; Y60-W129 WeakPolarHBondContact OH-CB 3.42Å; Y60-W129 PolarHBondContact OH-N 3.35Å; N62-W129 WeakPolarHBondContact O-CB 3.48Å; N62-W129 VanDerWaalsContact O-CD1 3.3Å; R65-W129 HydrophobicContact CB-CZ2 3.79Å; P66-W129 VanDerWaalsContact CD-CD2 3.5Å; P66-W129 HydrophobicContact CG-CD2 4.31Å; P66-W129 HydrophobicContact CG-CE3 3.7Å; P66-W129 HydrophobicContact CG-CZ3 3.92Å; T73-W129 HydrophobicContact CG2-CH2 4.15Å; T73-W129 HydrophobicContact CG2-CZ3 4.28Å; W104-W129 AromaticContact CD1-CZ3 3.93Å; W104-W129 HydrophobicContact CD2-CZ3 4.49Å; W104-W129 HydrophobicContact CG-CZ3 4.35Å; W104-W129 WeakPolarHBondContact CZ2-O 3.23Å; W104-W129 AromaticContact NE1-CE3 3.76Å; W104-W129 AromaticContact NE1-CZ3 3.78Å; W129-P131 HydrophobicContact CH2-CB 4.04Å; W129-P131 HydrophobicContact CZ3-CB 4.41Å; W129-Y196 HydrophobicContact CZ2-CD2 4.37Å; W129-Y196 AromaticContact CZ2-CE2 3.79Å; W129-Y196 HydrophobicContact CZ2-CE2 3.79Å; W129-Y196 AromaticContact NE1-CE2 3.98Å; W129-Y196 AromaticContact NE1-CZ 3.72Å; W129-Y196 PolarHBondContact NE1-OH 3.37Å; W129-M201 HydrophobicContact CH2-SD 3.69Å; W129-M201 HydrophobicContact CZ2-SD 4.11Å
130	T	95.1	Very high	90.8	Very high	48 Å²	48	57.3 Å²	57.3	29%	0.294	29%	0.285	S	S	.	.			trans	-129.4	142	176.3	51.1	0	0	0	0	109.2	W104 V125 V128 D132 F153 Y163	W104-T130 HydrophobicContact CH2-CG2 4.1Å; W104-T130 HydrophobicContact CZ2-CG2 4.28Å; V125-T130 HydrophobicContact CG1-CG2 4.15Å; V128-T130 PolarHBondContact O-N 3.46Å; T130-D132 PolarHBondContact O-N 3.45Å; T130-F153 HydrophobicContact CG2-CE2 4.44Å; T130-Y163 HydrophobicContact CG2-CD1 4.5Å; T130-Y163 HydrophobicContact CG2-CE1 4.44Å
131	P	96.6	Very high	91.2	Very high	8 Å²	8	58.6 Å²	58.6	5%	0.052	30%	0.296	C	S	.	.			trans	-64.8	134	-179.6	27.1	-34.4	0	0	0	110.5	V75 W104 W129 T133 M201	V75-P131 HydrophobicContact CG1-CG 4.16Å; V75-P131 HydrophobicContact CG2-CB 4.19Å; V75-P131 HydrophobicContact CG2-CG 4.44Å; W104-P131 HydrophobicContact CE3-CG 4.2Å; W104-P131 HydrophobicContact CZ3-CG 4.08Å; W129-P131 HydrophobicContact CH2-CB 4.04Å; W129-P131 HydrophobicContact CZ3-CB 4.41Å; P131-T133 PolarHBondContact O-N 2.95Å; P131-T133 PolarHBondContact O-OG1 2.95Å; P131-M201 HydrophobicContact CB-CE 4.1Å; P131-M201 HydrophobicContact CB-SD 3.89Å
132	D	95.8	Very high	91.8	Very high	47 Å²	47	57 Å²	57	25%	0.251	29%	0.291	S	S	.	.			trans	-77.8	54	-176.7	66.1	-20.1	0	0	0	112.6	T130 F134 S193 Y194 A195 Y196	T130-D132 PolarHBondContact O-N 3.45Å; D132-F134 PolarHBondContact O-N 2.89Å; D132-S193 WeakPolarHBondContact OD1-CB 3.47Å; D132-S193 PolarHBondContact OD1-OG 3.39Å; D132-S193 PolarHBondContact OD2-OG 2.83Å; D132-Y194 PolarHBondContact O-N 3.08Å; D132-Y194 PolarHBondContact OD2-N 2.98Å; D132-A195 VanDerWaalsContact OD2-CB 3.22Å; D132-A195 WeakPolarHBondContact OD2-CB 3.4Å; D132-A195 PolarHBondContact OD2-N 3.16Å; D132-Y196 WeakPolarHBondContact OD1-CD2 3.44Å
133	T	96.8	Very high	92.5	Very high	31 Å²	31	58.2 Å²	58.2	19%	0.19	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.6	-172.9	-47.3	0	0	0	0	110.1	F100 Q102 P131 F191 G192 Y203	F100-T133 HydrophobicContact CE1-CG2 3.82Å; F100-T133 HydrophobicContact CZ-CG2 3.8Å; Q102-T133 PolarHBondContact NE2-OG1 2.98Å; P131-T133 PolarHBondContact O-N 2.95Å; P131-T133 PolarHBondContact O-OG1 2.95Å; T133-F191 HydrophobicContact CG2-CB 4.3Å; T133-F191 HydrophobicContact CG2-CD2 3.86Å; T133-G192 WeakPolarHBondContact CA-O 3.42Å; T133-Y203 WeakPolarHBondContact CB-OH 3.48Å; T133-Y203 HydrophobicContact CG2-CE1 4.18Å; T133-Y203 PolarHBondContact OG1-OH 3.08Å
134	F	96.2	Very high	93	Very high	64 Å²	64	54.3 Å²	54.3	28%	0.281	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	152.2	177.3	82.7	-72.9	0	0	0	111.2	D132 R136 F191 G192 S193 Y194	D132-F134 PolarHBondContact O-N 2.89Å; F134-R136 HydrophobicContact CD2-CG 4.39Å; F134-R136 HydrophobicContact CE1-CG 4.14Å; F134-R136 HydrophobicContact CE2-CB 4.3Å; F134-R136 HydrophobicContact CE2-CG 3.59Å; F134-R136 HydrophobicContact CZ-CG 3.45Å; F134-R136 VanDerWaalsContact CZ-CG 3.45Å; F134-F191 VanDerWaalsContact O-CA 3.25Å; F134-F191 WeakPolarHBondContact O-CA 3.37Å; F134-F191 WeakPolarHBondContact O-CB 3.32Å; F134-G192 VanDerWaalsContact CD1-O 3.23Å; F134-G192 WeakPolarHBondContact CD1-O 3.28Å; F134-G192 PolarHBondContact N-O 3.15Å; F134-G192 PolarHBondContact O-N 2.94Å; F134-G192 VanDerWaalsContact O-N 3.15Å; F134-S193 WeakPolarHBondContact CE1-O 3.25Å; F134-Y194 HydrophobicContact CD1-CD2 4.16Å; F134-Y194 HydrophobicContact CD1-CG 4.42Å; F134-Y194 VanDerWaalsContact CE1-CA 3.5Å; F134-Y194 HydrophobicContact CE1-CD2 4.01Å; F134-Y194 HydrophobicContact CE1-CG 4.47Å; F134-Y194 HydrophobicContact CE2-CD2 4.42Å; F134-Y194 HydrophobicContact CG-CD2 4.44Å; F134-Y194 HydrophobicContact CZ-CD2 4.12Å
135	F	97.1	Very high	93.4	Very high	27 Å²	27	58.8 Å²	58.8	12%	0.118	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	114.3	175.1	-63.5	-80.6	0	0	0	109.2	F100 N137 G138 L167 I169 L189 K190 F191	F100-F135 HydrophobicContact CD2-CZ 4.32Å; F100-F135 HydrophobicContact CE2-CZ 4.49Å; F100-F135 HydrophobicContact CG-CZ 4.5Å; F135-N137 PolarHBondContact O-N 3.11Å; F135-G138 PolarHBondContact O-N 3.43Å; F135-L167 HydrophobicContact CE2-CD1 3.61Å; F135-L167 HydrophobicContact CZ-CD1 3.96Å; F135-I169 HydrophobicContact CD1-CD1 4.11Å; F135-I169 HydrophobicContact CD1-CG2 4.49Å; F135-I169 HydrophobicContact CD2-CD1 4.21Å; F135-I169 HydrophobicContact CD2-CG1 4.38Å; F135-I169 HydrophobicContact CE1-CD1 3.54Å; F135-I169 HydrophobicContact CE2-CD1 3.67Å; F135-I169 HydrophobicContact CE2-CG1 4.13Å; F135-I169 HydrophobicContact CG-CD1 4.42Å; F135-I169 HydrophobicContact CG-CG2 4.31Å; F135-I169 HydrophobicContact CZ-CD1 3.3Å; F135-I169 HydrophobicContact CZ-CG1 4.25Å; F135-L189 HydrophobicContact CD1-CD1 3.56Å; F135-L189 HydrophobicContact CD1-CG 4.16Å; F135-L189 HydrophobicContact CE1-CD1 4Å; F135-L189 HydrophobicContact CE1-CD2 4.23Å; F135-L189 HydrophobicContact CE1-CG 4.25Å; F135-L189 HydrophobicContact CG-CD1 4.5Å; F135-K190 CarbonylContact C-O 3.52Å; F135-K190 VanDerWaalsContact CA-O 3.32Å; F135-K190 WeakPolarHBondContact CA-O 3.28Å; F135-F191 HydrophobicContact CD1-CB 3.77Å; F135-F191 HydrophobicContact CE1-CB 3.9Å; F135-F191 HydrophobicContact CE1-CD1 4.3Å; F135-F191 HydrophobicContact CE1-CG 4.32Å
136	R	95.3	Very high	93.6	Very high	82 Å²	82	65 Å²	65	31%	0.309	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-36.2	-174.1	-76.6	-179	173.5	-99.7	-2.5	113.1	F134 K190 V246	F134-R136 HydrophobicContact CD2-CG 4.39Å; F134-R136 HydrophobicContact CE1-CG 4.14Å; F134-R136 HydrophobicContact CE2-CB 4.3Å; F134-R136 HydrophobicContact CE2-CG 3.59Å; F134-R136 HydrophobicContact CZ-CG 3.45Å; F134-R136 VanDerWaalsContact CZ-CG 3.45Å; R136-K190 HydrophobicContact CB-CB 4.09Å; R136-K190 PolarHBondContact N-O 2.9Å; R136-V246 VanDerWaalsContact NE-CG2 3.3Å
137	N	96.6	Very high	93.6	Very high	22 Å²	22	67 Å²	67	12%	0.118	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	17.3	174.5	68.4	-40.7	0	0	0	112	F135 K139 A171 E172 P188 K190	F135-N137 PolarHBondContact O-N 3.11Å; N137-K139 PolarHBondContact O-N 2.79Å; N137-A171 CarbonylContact O-C 3.54Å; N137-A171 WeakPolarHBondContact O-CA 3.11Å; N137-E172 HydrophobicContact CB-CB 4.38Å; N137-E172 PolarHBondContact ND2-O 2.75Å; N137-E172 PolarHBondContact O-N 2.87Å; N137-P188 PolarHBondContact ND2-O 3.4Å; N137-K190 PolarHBondContact OD1-N 2.8Å
138	G	94.8	Very high	93.3	Very high	28 Å²	28	63.9 Å²	63.9	29%	0.289	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	119.9	173.9	0	0	0	0	0	110.3	F135	F135-G138 PolarHBondContact O-N 3.43Å
139	K	93.1	Very high	93	Very high	99 Å²	99	66.6 Å²	66.6	43%	0.43	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-46.9	171.7	-74.9	178.9	171.3	179.9	0	110.9	E91 E93 N137 S170 E172	E91-K139 PolarHBondContact O-NZ 2.87Å; E93-K139 HydrophobicContact CB-CD 4.32Å; E93-K139 WeakPolarHBondContact OE2-CD 3.47Å; E93-K139 IonicContact OE2-NZ 3.44Å; N137-K139 PolarHBondContact O-N 2.79Å; K139-S170 PolarHBondContact N-O 2.8Å; K139-E172 HydrophobicContact CG-CB 4.46Å
140	R	91.8	Very high	92.6	Very high	183 Å²	183	68.9 Å²	68.9	69%	0.691	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	138.3	177.9	-63	177.3	65.9	-170.1	-0.9	108.1	S170	R140-S170 PolarHBondContact N-O 2.92Å; R140-S170 WeakPolarHBondContact O-CA 3.38Å; R140-S170 VanDerWaalsContact O-CB 3.31Å; R140-S170 WeakPolarHBondContact O-CB 3.4Å; R140-S170 PolarHBondContact O-N 2.86Å
141	S	92.1	Very high	92.4	Very high	61 Å²	61	70.6 Å²	70.6	43%	0.427	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135	175.9	-57.9	0	0	0	0	109.1	T168	S141-T168 CarbonylContact C-O 3.55Å; S141-T168 VanDerWaalsContact CA-O 3.31Å; S141-T168 WeakPolarHBondContact CA-O 3.44Å
142	V	94.4	Very high	92.1	Very high	81 Å²	81	73.2 Å²	73.2	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	122.4	-175.7	-177.2	0	0	0	0	108.4	L167 T168	V142-L167 WeakPolarHBondContact O-CA 3.39Å; V142-T168 PolarHBondContact N-O 3.4Å; V142-T168 PolarHBondContact O-N 2.99Å
143	A	93.8	Very high	91.9	Very high	54 Å²	54	71.1 Å²	71.1	45%	0.446	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.7	167	0	0	0	0	0	109.2	L167	A143-L167 HydrophobicContact CB-CD2 3.77Å
144	H	91.9	Very high	91.7	Very high	48 Å²	48	73.7 Å²	73.7	22%	0.222	39%	0.389	C	S	.	.			trans	-69.5	136.7	-179	-63.3	-88.9	0	0	0	111.4	N150 R166 T168	H144-N150 VanDerWaalsContact C-OD1 3.29Å; H144-N150 HydrophobicContact CB-CB 4.16Å; H144-N150 PolarHBondContact O-N 3.4Å; H144-N150 PolarHBondContact O-OD1 3.11Å; H144-N150 VanDerWaalsContact O-OD1 3.1Å; H144-R166 VanDerWaalsContact CD2-CG 3.48Å; H144-R166 WeakPolarHBondContact CD2-CG 3.34Å; H144-R166 PolarHBondContact CD2-O 3.01Å; H144-R166 PolarHBondContact N-O 3.25Å; H144-R166 PolarHBondContact NE2-NE 3.32Å; H144-T168 PolarHBondContact CE1-OG1 3.25Å; H144-T168 PolarHBondContact NE2-OG1 2.97Å
145	N	91.3	Very high	91.6	Very high	109 Å²	109	70.6 Å²	70.6	58%	0.583	38%	0.376	S	S	*	.			trans	-130.8	12.3	-176	68.1	-15.8	0	0	0	115.4	A148	N145-A148 CarbonylContact C-O 3.58Å; N145-A148 VanDerWaalsContact C-O 3.27Å; N145-A148 CarbonylContact O-C 3.56Å; N145-A148 VanDerWaalsContact O-C 3.27Å; N145-A148 PolarHBondContact O-N 2.74Å
146	I	87.4	Confident	91.5	Very high	138 Å²	138	72.2 Å²	72.2	71%	0.708	38%	0.384	S	S	*	.	S	Bend	trans	-114.2	130.6	-175.2	-57.1	177.2	0	0	0	109.6	A148 N150	I146-A148 VanDerWaalsContact C-N 3.35Å; I146-N150 PolarHBondContact O-OD1 3.35Å
147	T	86.3	Confident	91.3	Very high	148 Å²	148	71.8 Å²	71.8	91%	0.908	39%	0.385	S	S	*	.	S	Bend	cis	-79.5	-11.4	-5.3	51.1	0	0	0	0	113.9
148	A	85.1	Confident	91.2	Very high	52 Å²	52	75 Å²	75	43%	0.43	40%	0.402	S	S	.	.	S	Bend	trans	-138.6	163.1	171.6	0	0	0	0	0	108.5	N145 I146 N150	N145-A148 CarbonylContact C-O 3.58Å; N145-A148 VanDerWaalsContact C-O 3.27Å; N145-A148 CarbonylContact O-C 3.56Å; N145-A148 VanDerWaalsContact O-C 3.27Å; N145-A148 PolarHBondContact O-N 2.74Å; I146-A148 VanDerWaalsContact C-N 3.35Å; A148-N150 PolarHBondContact O-N 3.4Å; A148-N150 VanDerWaalsContact O-N 3.13Å; A148-N150 PolarHBondContact O-OD1 2.87Å
149	P	87	Confident	91.1	Very high	62 Å²	62	73.6 Å²	73.6	40%	0.403	39%	0.388	S	S	.	.			trans	-50.6	121.7	175.4	-24.3	32.5	0	0	0	111.8	N122 K151	N122-P149 HydrophobicContact CB-CB 4.43Å; N122-P149 WeakPolarHBondContact ND2-CB 3.44Å; N122-P149 PolarHBondContact ND2-O 3.31Å; P149-K151 PolarHBondContact O-N 2.76Å
150	N	86.9	Confident	91.3	Very high	54 Å²	54	69.7 Å²	69.7	29%	0.289	37%	0.372	S	S	.	.			trans	-80.7	59.9	-177.1	-61.3	67.5	0	0	0	110.2	H144 I146 A148 M165 R166	H144-N150 VanDerWaalsContact C-OD1 3.29Å; H144-N150 HydrophobicContact CB-CB 4.16Å; H144-N150 PolarHBondContact O-N 3.4Å; H144-N150 PolarHBondContact O-OD1 3.11Å; H144-N150 VanDerWaalsContact O-OD1 3.1Å; I146-N150 PolarHBondContact O-OD1 3.35Å; A148-N150 PolarHBondContact O-N 3.4Å; A148-N150 VanDerWaalsContact O-N 3.13Å; A148-N150 PolarHBondContact O-OD1 2.87Å; N150-M165 WeakPolarHBondContact O-CA 3.5Å; N150-R166 HydrophobicContact CB-CB 3.92Å; N150-R166 PolarHBondContact O-N 3.19Å; N150-R166 VanDerWaalsContact O-N 3.11Å
151	K	90.3	Very high	91.5	Very high	84 Å²	84	61 Å²	61	37%	0.365	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	138.6	176.3	-68	175.6	-179.8	-168.8	0	107.7	N122 P149 Y163 T164 M165	N122-K151 VanDerWaalsContact OD1-CB 3.31Å; N122-K151 WeakPolarHBondContact OD1-CB 3.23Å; N122-K151 PolarHBondContact OD1-O 2.82Å; P149-K151 PolarHBondContact O-N 2.76Å; K151-Y163 HydrophobicContact CB-CE2 4.12Å; K151-Y163 HydrophobicContact CD-CE2 4.28Å; K151-Y163 WeakPolarHBondContact CD-OH 3.47Å; K151-Y163 WeakPolarHBondContact CE-OH 3.5Å; K151-Y163 HydrophobicContact CG-CE2 4.19Å; K151-T164 CarbonylContact C-O 3.51Å; K151-T164 WeakPolarHBondContact CA-O 3.19Å; K151-M165 HydrophobicContact CG-CB 4.34Å
152	L	89.2	Confident	91.6	Very high	64 Å²	64	59.9 Å²	59.9	34%	0.335	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	125.8	174.7	172.1	157	0	0	0	106.9	R154 L162 Y163 T164	L152-R154 HydrophobicContact CD2-CG 3.82Å; L152-L162 HydrophobicContact CD2-CD2 4.43Å; L152-Y163 WeakPolarHBondContact O-CA 3.35Å; L152-T164 PolarHBondContact N-O 2.86Å; L152-T164 PolarHBondContact O-N 2.82Å
153	F	91.9	Very high	91.7	Very high	2 Å²	2	56.5 Å²	56.5	1%	0.009	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120.8	-178.2	-164.4	-97.7	0	0	0	109.6	W104 L120 M124 V125 V128 T130 I155 I161 L162 Y163	W104-F153 HydrophobicContact CH2-CE2 4.13Å; W104-F153 HydrophobicContact CZ2-CE2 4.3Å; L120-F153 HydrophobicContact CB-CD1 4.45Å; L120-F153 HydrophobicContact CD1-CD1 4.23Å; L120-F153 PolarHBondContact N-O 2.9Å; L120-F153 VanDerWaalsContact N-O 3.11Å; M124-F153 HydrophobicContact CG-CD1 4.46Å; M124-F153 HydrophobicContact CG-CE1 4.42Å; V125-F153 HydrophobicContact CG2-CB 3.66Å; V125-F153 HydrophobicContact CG2-CD2 3.94Å; V125-F153 HydrophobicContact CG2-CG 3.88Å; V128-F153 HydrophobicContact CB-CZ 4.01Å; V128-F153 HydrophobicContact CG1-CZ 3.85Å; V128-F153 HydrophobicContact CG2-CE1 4.34Å; V128-F153 HydrophobicContact CG2-CZ 4.31Å; T130-F153 HydrophobicContact CG2-CE2 4.44Å; F153-I155 HydrophobicContact CD1-CG1 4.12Å; F153-I155 HydrophobicContact CE1-CD1 3.85Å; F153-I155 HydrophobicContact CE1-CG1 3.61Å; F153-I161 HydrophobicContact CD2-CG2 4.06Å; F153-I161 HydrophobicContact CE1-CG2 4.05Å; F153-I161 HydrophobicContact CE2-CG2 3.32Å; F153-I161 HydrophobicContact CZ-CD1 4.07Å; F153-I161 HydrophobicContact CZ-CG2 3.32Å; F153-L162 WeakPolarHBondContact CA-O 3.48Å; F153-Y163 AromaticContact CD2-CD2 3.79Å; F153-Y163 HydrophobicContact CD2-CD2 3.79Å; F153-Y163 HydrophobicContact CD2-CG 4.19Å
154	R	93.1	Very high	91.7	Very high	85 Å²	85	54.7 Å²	54.7	32%	0.321	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	131	-179.3	-65.6	-179.4	-177.8	-177.7	2	109.7	I117 L118 R119 L152 I161 L162	I117-R154 HydrophobicContact CG2-CB 3.91Å; I117-R154 HydrophobicContact CG2-CG 4.22Å; L118-R154 VanDerWaalsContact O-CA 3.28Å; L118-R154 WeakPolarHBondContact O-CA 3.35Å; R119-R154 HydrophobicContact CG-CG 4.5Å; L152-R154 HydrophobicContact CD2-CG 3.82Å; R154-I161 CarbonylContact O-C 3.27Å; R154-I161 WeakPolarHBondContact O-CA 3.42Å; R154-L162 HydrophobicContact CB-CB 4.31Å; R154-L162 PolarHBondContact N-O 2.92Å; R154-L162 PolarHBondContact O-N 2.69Å
155	I	93.8	Very high	91.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	122.9	173.6	-51.5	178.7	0	0	0	107.4	L56 L109 Y111 I117 L118 L120 M124 F153	L56-I155 HydrophobicContact CD2-CD1 3.66Å; L109-I155 HydrophobicContact CB-CG2 4.2Å; L109-I155 HydrophobicContact CD1-CD1 4.16Å; Y111-I155 HydrophobicContact CD1-CG2 4.48Å; Y111-I155 HydrophobicContact CE1-CG2 4.24Å; I117-I155 WeakPolarHBondContact CA-O 3.36Å; L118-I155 HydrophobicContact CB-CB 4.38Å; L118-I155 PolarHBondContact N-O 3.43Å; L118-I155 PolarHBondContact O-N 2.76Å; L118-I155 VanDerWaalsContact O-N 3.08Å; L120-I155 HydrophobicContact CD1-CD1 3.49Å; L120-I155 VanDerWaalsContact CD1-CD1 3.49Å; L120-I155 HydrophobicContact CD1-CG1 3.86Å; M124-I155 HydrophobicContact CE-CD1 4.4Å; F153-I155 HydrophobicContact CD1-CG1 4.12Å; F153-I155 HydrophobicContact CE1-CD1 3.85Å; F153-I155 HydrophobicContact CE1-CG1 3.61Å
156	M	95.1	Very high	92	Very high	61 Å²	61	52.4 Å²	52.4	30%	0.3	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	153.6	173.2	-58	173.9	-169.6	0	0	109.7	E116 I117 N158 G159 T160	E116-M156 CarbonylContact O-C 3.59Å; E116-M156 WeakPolarHBondContact O-CA 3.27Å; I117-M156 HydrophobicContact CG1-CG 4.5Å; M156-N158 WeakPolarHBondContact CB-OD1 3.4Å; M156-N158 PolarHBondContact O-N 2.91Å; M156-G159 PolarHBondContact O-N 3.44Å; M156-T160 WeakPolarHBondContact CB-O 3.19Å; M156-T160 HydrophobicContact CE-CG2 4.25Å; M156-T160 WeakPolarHBondContact CG-O 3.43Å; M156-T160 PolarHBondContact N-O 2.84Å; M156-T160 HydrophobicContact SD-CG2 3.74Å
157	K	92.1	Very high	92.4	Very high	73 Å²	73	46.5 Å²	46.5	32%	0.317	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.2	-36.3	-179.6	-165.3	-177.1	175.3	177.3	0	114.2	Y111 E112 E116 G159	Y111-K157 HydrophobicContact CE2-CG 4.47Å; Y111-K157 WeakPolarHBondContact O-CG 3.37Å; E112-K157 VanDerWaalsContact CD-CE 3.41Å; E112-K157 WeakPolarHBondContact OE1-CE 3.36Å; E112-K157 IonicContact OE1-NZ 3.31Å; E112-K157 WeakPolarHBondContact OE2-CE 3.34Å; E112-K157 IonicContact OE2-NZ 3.71Å; E112-K157 PolarHBondContact OE2-NZ 3.44Å; E116-K157 PolarHBondContact O-N 3.44Å; K157-G159 PolarHBondContact O-N 2.87Å
158	N	93.9	Very high	92.9	Very high	88 Å²	88	41 Å²	41	47%	0.471	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	6.5	179.3	70	-5.8	0	0	0	114.6	M156 T160	M156-N158 WeakPolarHBondContact CB-OD1 3.4Å; M156-N158 PolarHBondContact O-N 2.91Å; N158-T160 VanDerWaalsContact C-N 3.33Å; N158-T160 VanDerWaalsContact CG-OG1 3.26Å; N158-T160 PolarHBondContact ND2-OG1 3.32Å; N158-T160 VanDerWaalsContact ND2-OG1 3.16Å; N158-T160 WeakPolarHBondContact OD1-CB 3.34Å; N158-T160 PolarHBondContact OD1-N 3.48Å; N158-T160 PolarHBondContact OD1-OG1 2.98Å
159	G	93.6	Very high	93.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	82	6.1	-176.9	0	0	0	0	0	114.2	D106 M156 K157 I161	D106-G159 PolarHBondContact N-O 3.09Å; D106-G159 WeakPolarHBondContact O-CA 3.46Å; M156-G159 PolarHBondContact O-N 3.44Å; K157-G159 PolarHBondContact O-N 2.87Å; G159-I161 PolarHBondContact O-N 2.85Å
160	T	96.4	Very high	93.9	Very high	17 Å²	17	36.4 Å²	36.4	10%	0.104	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	128	173	-54.6	0	0	0	0	109.7	T103 W104 M156 N158	T103-T160 HydrophobicContact CG2-CG2 3.46Å; T103-T160 VanDerWaalsContact CG2-CG2 3.46Å; W104-T160 WeakPolarHBondContact O-CA 3.33Å; M156-T160 WeakPolarHBondContact CB-O 3.19Å; M156-T160 HydrophobicContact CE-CG2 4.25Å; M156-T160 WeakPolarHBondContact CG-O 3.43Å; M156-T160 PolarHBondContact N-O 2.84Å; M156-T160 HydrophobicContact SD-CG2 3.74Å; N158-T160 VanDerWaalsContact C-N 3.33Å; N158-T160 VanDerWaalsContact CG-OG1 3.26Å; N158-T160 PolarHBondContact ND2-OG1 3.32Å; N158-T160 VanDerWaalsContact ND2-OG1 3.16Å; N158-T160 WeakPolarHBondContact OD1-CB 3.34Å; N158-T160 PolarHBondContact OD1-N 3.48Å; N158-T160 PolarHBondContact OD1-OG1 2.98Å
161	I	95.6	Very high	94.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	130.5	179.7	-53.9	-175.5	0	0	0	108.3	T103 W104 D106 L109 V128 F153 R154 G159	T103-I161 WeakPolarHBondContact CA-O 3.29Å; T103-I161 WeakPolarHBondContact CG2-O 3.33Å; W104-I161 HydrophobicContact CD2-CB 4.18Å; W104-I161 HydrophobicContact CH2-CB 4.39Å; W104-I161 HydrophobicContact CH2-CG2 3.76Å; W104-I161 HydrophobicContact CZ2-CB 3.99Å; W104-I161 HydrophobicContact CZ2-CD1 3.81Å; W104-I161 HydrophobicContact CZ2-CG1 4.5Å; W104-I161 HydrophobicContact CZ2-CG2 3.64Å; W104-I161 HydrophobicContact CZ3-CG2 4.28Å; W104-I161 PolarHBondContact N-O 2.86Å; W104-I161 PolarHBondContact O-N 3.07Å; D106-I161 HydrophobicContact CB-CD1 4.02Å; L109-I161 HydrophobicContact CD1-CD1 3.36Å; L109-I161 HydrophobicContact CD1-CG1 4.25Å; V128-I161 HydrophobicContact CG1-CD1 4.04Å; F153-I161 HydrophobicContact CD2-CG2 4.06Å; F153-I161 HydrophobicContact CE1-CG2 4.05Å; F153-I161 HydrophobicContact CE2-CG2 3.32Å; F153-I161 HydrophobicContact CZ-CD1 4.07Å; F153-I161 HydrophobicContact CZ-CG2 3.32Å; R154-I161 CarbonylContact O-C 3.27Å; R154-I161 WeakPolarHBondContact O-CA 3.42Å; G159-I161 PolarHBondContact O-N 2.85Å
162	L	95.5	Very high	94.7	Very high	38 Å²	38	34.2 Å²	34.2	20%	0.199	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	117	165.8	172.5	65.9	0	0	0	108.6	T103 L152 F153 R154	T103-L162 WeakPolarHBondContact OG1-CD1 3.34Å; L152-L162 HydrophobicContact CD2-CD2 4.43Å; F153-L162 WeakPolarHBondContact CA-O 3.48Å; R154-L162 HydrophobicContact CB-CB 4.31Å; R154-L162 PolarHBondContact N-O 2.92Å; R154-L162 PolarHBondContact O-N 2.69Å
163	Y	95.2	Very high	95	Very high	10 Å²	10	31.2 Å²	31.2	4%	0.039	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	121.6	175.6	-178.6	-139.7	0	0	0	109.9	R101 Q102 W104 V125 T130 K151 L152 F153 M165	R101-Y163 CarbonylContact C-O 3.59Å; R101-Y163 WeakPolarHBondContact CA-O 3.46Å; Q102-Y163 PolarHBondContact N-O 3.42Å; Q102-Y163 PolarHBondContact O-N 2.87Å; W104-Y163 HydrophobicContact CH2-CD1 4.19Å; W104-Y163 HydrophobicContact CH2-CG 4.2Å; W104-Y163 HydrophobicContact CZ3-CD1 4.29Å; W104-Y163 HydrophobicContact CZ3-CG 4.36Å; V125-Y163 HydrophobicContact CG1-CE2 3.8Å; V125-Y163 HydrophobicContact CG2-CE2 4.34Å; T130-Y163 HydrophobicContact CG2-CD1 4.5Å; T130-Y163 HydrophobicContact CG2-CE1 4.44Å; K151-Y163 HydrophobicContact CB-CE2 4.12Å; K151-Y163 HydrophobicContact CD-CE2 4.28Å; K151-Y163 WeakPolarHBondContact CD-OH 3.47Å; K151-Y163 WeakPolarHBondContact CE-OH 3.5Å; K151-Y163 HydrophobicContact CG-CE2 4.19Å; L152-Y163 WeakPolarHBondContact O-CA 3.35Å; F153-Y163 AromaticContact CD2-CD2 3.79Å; F153-Y163 HydrophobicContact CD2-CD2 3.79Å; F153-Y163 HydrophobicContact CD2-CG 4.19Å; Y163-M165 HydrophobicContact CD1-CE 3.92Å; Y163-M165 HydrophobicContact CE1-CE 3.12Å; Y163-M165 VanDerWaalsContact CZ-CE 3.47Å; Y163-M165 WeakPolarHBondContact OH-CE 3.45Å
164	T	95.1	Very high	95.1	Very high	16 Å²	16	35.4 Å²	35.4	10%	0.098	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	139.3	177.9	-53.3	0	0	0	0	109.4	F99 F100 R101 K151 L152	F99-T164 HydrophobicContact CB-CG2 4.22Å; F99-T164 HydrophobicContact CD1-CG2 4.34Å; F100-T164 CarbonylContact O-C 3.42Å; F100-T164 WeakPolarHBondContact O-CA 3.41Å; R101-T164 HydrophobicContact CG-CG2 3.65Å; K151-T164 CarbonylContact C-O 3.51Å; K151-T164 WeakPolarHBondContact CA-O 3.19Å; L152-T164 PolarHBondContact N-O 2.86Å; L152-T164 PolarHBondContact O-N 2.82Å
165	M	93.9	Very high	95.1	Very high	29 Å²	29	31.9 Å²	31.9	14%	0.143	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.2	172.2	61.1	179.6	91	0	0	111	F99 F100 N150 K151 Y163 L167	F99-M165 WeakPolarHBondContact CA-O 3.49Å; F100-M165 HydrophobicContact CB-CG 4.08Å; F100-M165 HydrophobicContact CD1-CG 4.47Å; F100-M165 PolarHBondContact N-O 3.32Å; F100-M165 PolarHBondContact O-N 3.11Å; N150-M165 WeakPolarHBondContact O-CA 3.5Å; K151-M165 HydrophobicContact CG-CB 4.34Å; Y163-M165 HydrophobicContact CD1-CE 3.92Å; Y163-M165 HydrophobicContact CE1-CE 3.12Å; Y163-M165 VanDerWaalsContact CZ-CE 3.47Å; Y163-M165 WeakPolarHBondContact OH-CE 3.45Å; M165-L167 HydrophobicContact CG-CD1 4Å; M165-L167 HydrophobicContact CG-CD2 4.08Å; M165-L167 HydrophobicContact CG-CG 3.83Å; M165-L167 HydrophobicContact SD-CD1 3.73Å; M165-L167 HydrophobicContact SD-CD2 3.71Å; M165-L167 HydrophobicContact SD-CG 3.91Å
166	R	95	Very high	95	Very high	80 Å²	80	40 Å²	40	30%	0.302	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.8	168.8	-165.7	-170.7	163.8	171	-0.4	109.4	D97 V98 F99 H144 N150	D97-R166 IonicContact OD2-NH2 3.57Å; V98-R166 WeakPolarHBondContact O-CA 3.35Å; F99-R166 HydrophobicContact CD1-CB 3.87Å; F99-R166 HydrophobicContact CD1-CG 4.09Å; F99-R166 HydrophobicContact CE1-CB 3.7Å; F99-R166 HydrophobicContact CE1-CG 3.78Å; F99-R166 HydrophobicContact CZ-CG 4.35Å; H144-R166 VanDerWaalsContact CD2-CG 3.48Å; H144-R166 WeakPolarHBondContact CD2-CG 3.34Å; H144-R166 PolarHBondContact CD2-O 3.01Å; H144-R166 PolarHBondContact N-O 3.25Å; H144-R166 PolarHBondContact NE2-NE 3.32Å; N150-R166 HydrophobicContact CB-CB 3.92Å; N150-R166 PolarHBondContact O-N 3.19Å; N150-R166 VanDerWaalsContact O-N 3.11Å
167	L	95.9	Very high	94.8	Very high	13 Å²	13	37.2 Å²	37.2	7%	0.068	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.4	-179.2	-59.5	176.9	0	0	0	110.6	D97 V98 F100 F135 V142 A143 M165 I169	D97-L167 CarbonylContact C-O 3.57Å; D97-L167 WeakPolarHBondContact CA-O 3.35Å; V98-L167 HydrophobicContact CG2-CB 4.12Å; V98-L167 PolarHBondContact N-O 3.49Å; V98-L167 PolarHBondContact O-N 3.11Å; F100-L167 HydrophobicContact CB-CD1 4.07Å; F135-L167 HydrophobicContact CE2-CD1 3.61Å; F135-L167 HydrophobicContact CZ-CD1 3.96Å; V142-L167 WeakPolarHBondContact O-CA 3.39Å; A143-L167 HydrophobicContact CB-CD2 3.77Å; M165-L167 HydrophobicContact CG-CD1 4Å; M165-L167 HydrophobicContact CG-CD2 4.08Å; M165-L167 HydrophobicContact CG-CG 3.83Å; M165-L167 HydrophobicContact SD-CD1 3.73Å; M165-L167 HydrophobicContact SD-CD2 3.71Å; M165-L167 HydrophobicContact SD-CG 3.91Å; L167-I169 HydrophobicContact CB-CD1 4.26Å; L167-I169 HydrophobicContact CB-CG1 3.96Å; L167-I169 HydrophobicContact CD1-CD1 4.38Å
168	T	96.3	Very high	94.8	Very high	34 Å²	34	37.2 Å²	37.2	21%	0.209	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	121.2	157.3	-58.1	0	0	0	0	107.8	M96 D97 S141 V142 H144	M96-T168 CarbonylContact O-C 3.51Å; M96-T168 WeakPolarHBondContact O-CA 3.39Å; D97-T168 VanDerWaalsContact OD1-CB 3.26Å; D97-T168 WeakPolarHBondContact OD1-CB 3.48Å; D97-T168 VanDerWaalsContact OD1-CG2 3.31Å; D97-T168 WeakPolarHBondContact OD1-CG2 3.33Å; D97-T168 PolarHBondContact OD1-OG1 3.22Å; S141-T168 CarbonylContact C-O 3.55Å; S141-T168 VanDerWaalsContact CA-O 3.31Å; S141-T168 WeakPolarHBondContact CA-O 3.44Å; V142-T168 PolarHBondContact N-O 3.4Å; V142-T168 PolarHBondContact O-N 2.99Å; H144-T168 PolarHBondContact CE1-OG1 3.25Å; H144-T168 PolarHBondContact NE2-OG1 2.97Å
169	I	96.8	Very high	94.7	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.3	-176.5	-56.9	163.1	0	0	0	108.8	T95 M96 V98 F135 L167 A171 L189	T95-I169 CarbonylContact C-O 3.55Å; T95-I169 VanDerWaalsContact CA-O 3.31Å; T95-I169 WeakPolarHBondContact CA-O 3.49Å; M96-I169 HydrophobicContact CE-CB 4.48Å; M96-I169 HydrophobicContact CE-CG2 4.46Å; M96-I169 HydrophobicContact CG-CB 4.36Å; M96-I169 PolarHBondContact N-O 3.48Å; M96-I169 PolarHBondContact O-N 2.88Å; V98-I169 HydrophobicContact CG2-CD1 3.58Å; V98-I169 HydrophobicContact CG2-CG1 4.46Å; F135-I169 HydrophobicContact CD1-CD1 4.11Å; F135-I169 HydrophobicContact CD1-CG2 4.49Å; F135-I169 HydrophobicContact CD2-CD1 4.21Å; F135-I169 HydrophobicContact CD2-CG1 4.38Å; F135-I169 HydrophobicContact CE1-CD1 3.54Å; F135-I169 HydrophobicContact CE2-CD1 3.67Å; F135-I169 HydrophobicContact CE2-CG1 4.13Å; F135-I169 HydrophobicContact CG-CD1 4.42Å; F135-I169 HydrophobicContact CG-CG2 4.31Å; F135-I169 HydrophobicContact CZ-CD1 3.3Å; F135-I169 HydrophobicContact CZ-CG1 4.25Å; L167-I169 HydrophobicContact CB-CD1 4.26Å; L167-I169 HydrophobicContact CB-CG1 3.96Å; L167-I169 HydrophobicContact CD1-CD1 4.38Å; I169-A171 HydrophobicContact CG2-CB 4.26Å; I169-L189 HydrophobicContact CG2-CD1 4.05Å
170	S	96.6	Very high	94.7	Very high	17 Å²	17	35.5 Å²	35.5	12%	0.119	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.6	164	-54.8	0	0	0	0	108.5	Y94 T95 K139 R140	Y94-S170 CarbonylContact O-C 3.6Å; Y94-S170 WeakPolarHBondContact O-CA 3.49Å; T95-S170 WeakPolarHBondContact CG2-OG 3.09Å; K139-S170 PolarHBondContact N-O 2.8Å; R140-S170 PolarHBondContact N-O 2.92Å; R140-S170 WeakPolarHBondContact O-CA 3.38Å; R140-S170 VanDerWaalsContact O-CB 3.31Å; R140-S170 WeakPolarHBondContact O-CB 3.4Å; R140-S170 PolarHBondContact O-N 2.86Å
171	A	97.1	Very high	94.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	144.1	-178.7	0	0	0	0	0	111.3	E93 Y94 M96 N137 I169 L189	E93-A171 VanDerWaalsContact CA-O 3.26Å; E93-A171 WeakPolarHBondContact CA-O 3.33Å; E93-A171 WeakPolarHBondContact CB-O 3.31Å; Y94-A171 HydrophobicContact CD1-CB 4.3Å; Y94-A171 VanDerWaalsContact CD1-O 3.25Å; Y94-A171 WeakPolarHBondContact CD1-O 3.48Å; Y94-A171 HydrophobicContact CE1-CB 3.61Å; Y94-A171 PolarHBondContact N-O 3.17Å; Y94-A171 PolarHBondContact O-N 3.06Å; M96-A171 HydrophobicContact CE-CB 4.49Å; N137-A171 CarbonylContact O-C 3.54Å; N137-A171 WeakPolarHBondContact O-CA 3.11Å; I169-A171 HydrophobicContact CG2-CB 4.26Å; A171-L189 HydrophobicContact CB-CD1 4.15Å
172	E	97	Very high	94.3	Very high	91 Å²	91	35.2 Å²	35.2	43%	0.425	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	130.7	173.2	-173.4	-178	167.5	0	0	110.3	N137 K139	N137-E172 HydrophobicContact CB-CB 4.38Å; N137-E172 PolarHBondContact ND2-O 2.75Å; N137-E172 PolarHBondContact O-N 2.87Å; K139-E172 HydrophobicContact CG-CB 4.46Å
173	C	96.1	Very high	94.1	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.007	17%	0.172	C	C	.	.			trans	-123.2	104.1	172.5	177.5	0	0	0	0	109.4	M92 Y94 M175 C187	M92-C173 PolarHBondContact O-N 3.26Å; Y94-C173 HydrophobicContact CD1-CB 3.63Å; Y94-C173 HydrophobicContact CE1-CB 3.96Å; C173-M175 HydrophobicContact CB-CE 4.04Å; C173-M175 PolarHBondContact O-N 2.64Å; C173-C187 HydrophobicContact CB-CB 3.67Å; C173-C187 WeakPolarHBondContact CB-SG 3.41Å; C173-C187 WeakPolarHBondContact SG-CA 3.48Å; C173-C187 WeakPolarHBondContact SG-CB 3.22Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 3.36Å
174	P	93.6	Very high	93.9	Very high	91 Å²	91	36 Å²	36	59%	0.591	20%	0.198	S	C	*	.			trans	-72.3	97.5	178.6	29	-33.5	0	0	0	110.3
175	M	91.6	Very high	93.8	Very high	10 Å²	10	35.9 Å²	35.9	5%	0.049	20%	0.196	C	C	.	.			trans	-87.9	145.2	-179.2	-62.5	172	-164.1	0	0	111.7	V87 C173 L177 H185	V87-M175 HydrophobicContact CG1-CE 3.35Å; C173-M175 HydrophobicContact CB-CE 4.04Å; C173-M175 PolarHBondContact O-N 2.64Å; M175-L177 HydrophobicContact CB-CD2 4.2Å; M175-L177 HydrophobicContact CB-CG 4.47Å; M175-H185 HydrophobicContact CG-CB 4.45Å
176	K	91.7	Very high	93.9	Very high	172 Å²	172	36.8 Å²	36.8	75%	0.748	21%	0.209	S	C	*	.			trans	-112.3	109	170	-67.3	-178.3	-178.8	177.9	0	108.3	V178 H185	K176-V178 VanDerWaalsContact C-N 3.32Å; K176-V178 PolarHBondContact O-N 2.81Å; K176-H185 PolarHBondContact O-CE1 3.35Å
177	L	92.5	Very high	93.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	20%	0.195	C	C	.	.			trans	-95.9	25.9	-170.7	-58.7	173.7	0	0	0	112.6	M175 D179 F180 D183 L311 P312 V314 Y316 T318	M175-L177 HydrophobicContact CB-CD2 4.2Å; M175-L177 HydrophobicContact CB-CG 4.47Å; L177-D179 PolarHBondContact O-N 2.74Å; L177-F180 HydrophobicContact CB-CB 4.24Å; L177-F180 HydrophobicContact CD2-CD2 4.35Å; L177-F180 VanDerWaalsContact O-CB 3.25Å; L177-F180 WeakPolarHBondContact O-CB 3.49Å; L177-F180 PolarHBondContact O-N 3.28Å; L177-D183 WeakPolarHBondContact CD2-OD2 3.47Å; L177-L311 HydrophobicContact CD1-CD2 4.34Å; L177-P312 HydrophobicContact CD1-CG 3.36Å; L177-V314 HydrophobicContact CD1-CG1 4.42Å; L177-Y316 PolarHBondContact N-OH 2.88Å; L177-T318 WeakPolarHBondContact O-CG2 3.48Å
178	V	91.8	Very high	94	Very high	74 Å²	74	32.9 Å²	32.9	45%	0.448	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-45.4	-175.3	178.9	0	0	0	0	110.9	K176 F180 Y316 T318 A319	K176-V178 VanDerWaalsContact C-N 3.32Å; K176-V178 PolarHBondContact O-N 2.81Å; V178-F180 VanDerWaalsContact C-N 3.29Å; V178-F180 PolarHBondContact O-N 2.95Å; V178-Y316 HydrophobicContact CB-CE2 4.47Å; V178-Y316 HydrophobicContact CG2-CD2 4.12Å; V178-Y316 HydrophobicContact CG2-CE2 3.78Å; V178-T318 CarbonylContact O-C 3.57Å; V178-A319 PolarHBondContact O-N 3.13Å
179	D	92	Very high	94	Very high	50 Å²	50	31.3 Å²	31.3	27%	0.267	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	16.4	-179.7	-62.5	-60.5	0	0	0	112.6	L177 M182 Y545 K548	L177-D179 PolarHBondContact O-N 2.74Å; D179-M182 CarbonylContact O-C 3.36Å; D179-M182 WeakPolarHBondContact O-CA 3.35Å; D179-M182 PolarHBondContact O-N 3.28Å; D179-Y545 WeakPolarHBondContact OD1-CE1 3.3Å; D179-K548 IonicContact OD1-NZ 2.78Å; D179-K548 PolarHBondContact OD1-NZ 3.14Å; D179-K548 VanDerWaalsContact OD1-NZ 3.11Å
180	F	92.1	Very high	94	Very high	1 Å²	1	33.9 Å²	33.9	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	133.3	-177.9	178.5	-87.8	0	0	0	112.7	L177 V178 R255 F260 L311 T318 A319 M320	L177-F180 HydrophobicContact CB-CB 4.24Å; L177-F180 HydrophobicContact CD2-CD2 4.35Å; L177-F180 VanDerWaalsContact O-CB 3.25Å; L177-F180 WeakPolarHBondContact O-CB 3.49Å; L177-F180 PolarHBondContact O-N 3.28Å; V178-F180 VanDerWaalsContact C-N 3.29Å; V178-F180 PolarHBondContact O-N 2.95Å; F180-R255 VanDerWaalsContact CE2-CZ 3.44Å; F180-F260 HydrophobicContact CE1-CD1 4.22Å; F180-F260 AromaticContact CE1-CE1 3.79Å; F180-F260 HydrophobicContact CE1-CE1 3.79Å; F180-F260 HydrophobicContact CE1-CZ 4.21Å; F180-F260 HydrophobicContact CE2-CE1 4.37Å; F180-F260 AromaticContact CE2-CZ 3.99Å; F180-F260 HydrophobicContact CE2-CZ 3.99Å; F180-F260 HydrophobicContact CZ-CD1 4.17Å; F180-F260 AromaticContact CZ-CE1 3.34Å; F180-F260 HydrophobicContact CZ-CE1 3.34Å; F180-F260 HydrophobicContact CZ-CE2 4.24Å; F180-F260 AromaticContact CZ-CZ 3.38Å; F180-F260 HydrophobicContact CZ-CZ 3.38Å; F180-L311 HydrophobicContact CD1-CD1 3.81Å; F180-L311 HydrophobicContact CD1-CD2 3.8Å; F180-L311 HydrophobicContact CD1-CG 4.26Å; F180-L311 HydrophobicContact CD2-CD2 3.63Å; F180-L311 HydrophobicContact CE1-CD1 3.62Å; F180-L311 HydrophobicContact CE1-CD2 3.6Å; F180-L311 HydrophobicContact CE1-CG 3.8Å; F180-L311 HydrophobicContact CE2-CD2 3.38Å; F180-L311 HydrophobicContact CE2-CG 4.34Å; F180-L311 HydrophobicContact CG-CD2 3.81Å; F180-L311 HydrophobicContact CZ-CD1 4.18Å; F180-L311 HydrophobicContact CZ-CD2 3.36Å; F180-L311 HydrophobicContact CZ-CG 3.81Å; F180-T318 HydrophobicContact CB-CG2 4.32Å; F180-A319 WeakPolarHBondContact O-CB 3.16Å; F180-M320 HydrophobicContact CD1-CB 4.08Å; F180-M320 HydrophobicContact CD1-SD 4Å; F180-M320 HydrophobicContact CE1-SD 3.59Å; F180-M320 VanDerWaalsContact CE1-SD 3.59Å; F180-M320 PolarHBondContact O-N 3.11Å; F180-M320 VanDerWaalsContact O-N 3.08Å
181	P	92.3	Very high	94.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	cis	-93.8	8.6	3	30.6	-23.7	0	0	0	114.9	D183 R255 M257 F260 Y265	P181-D183 PolarHBondContact O-N 3.39Å; P181-D183 VanDerWaalsContact O-N 3.14Å; P181-R255 WeakPolarHBondContact O-CD 3.4Å; P181-M257 HydrophobicContact CB-SD 3.84Å; P181-M257 HydrophobicContact CG-CE 3.88Å; P181-M257 HydrophobicContact CG-SD 3.72Å; P181-F260 HydrophobicContact CB-CB 4.39Å; P181-F260 HydrophobicContact CB-CD1 4.36Å; P181-F260 HydrophobicContact CB-CD2 3.51Å; P181-F260 HydrophobicContact CB-CE2 3.82Å; P181-F260 HydrophobicContact CB-CG 3.82Å; P181-F260 HydrophobicContact CB-CZ 4.36Å; P181-F260 HydrophobicContact CG-CB 3.76Å; P181-F260 HydrophobicContact CG-CD1 4.29Å; P181-F260 HydrophobicContact CG-CD2 3.86Å; P181-F260 HydrophobicContact CG-CG 3.69Å; P181-Y265 WeakPolarHBondContact CD-OH 3.48Å; P181-Y265 HydrophobicContact CG-CE2 4.09Å
182	M	91.3	Very high	94.1	Very high	11 Å²	11	33.1 Å²	33.1	5%	0.054	19%	0.19	C	C	.	.	S	Bend	trans	-88.2	50.9	179.6	-66.1	162.6	-73.2	0	0	110.6	D179 M257 Y541 W542 Y545 L546	D179-M182 CarbonylContact O-C 3.36Å; D179-M182 WeakPolarHBondContact O-CA 3.35Å; D179-M182 PolarHBondContact O-N 3.28Å; M182-M257 HydrophobicContact CB-SD 4.36Å; M182-M257 HydrophobicContact CE-CE 4.43Å; M182-M257 HydrophobicContact CG-CE 3.18Å; M182-M257 HydrophobicContact CG-CG 4.42Å; M182-M257 HydrophobicContact CG-SD 3.48Å; M182-M257 WeakPolarHBondContact CG-SD 3.36Å; M182-M257 HydrophobicContact SD-CE 3.78Å; M182-Y541 HydrophobicContact CE-CE1 4.05Å; M182-W542 HydrophobicContact SD-CE3 4.39Å; M182-W542 HydrophobicContact SD-CZ3 4.05Å; M182-Y545 HydrophobicContact CE-CD1 4.2Å; M182-Y545 HydrophobicContact CE-CD2 4.32Å; M182-Y545 HydrophobicContact CE-CG 3.73Å; M182-Y545 WeakPolarHBondContact SD-CB 3.33Å; M182-Y545 HydrophobicContact SD-CG 4.43Å; M182-L546 HydrophobicContact SD-CD2 4.32Å
183	D	91.5	Very high	94.1	Very high	8 Å²	8	28.9 Å²	28.9	4%	0.043	17%	0.171	C	C	.	.			trans	-115.3	153	-173.8	55.2	0.3	0	0	0	113.1	L177 P181 H185 R255	L177-D183 WeakPolarHBondContact CD2-OD2 3.47Å; P181-D183 PolarHBondContact O-N 3.39Å; P181-D183 VanDerWaalsContact O-N 3.14Å; D183-H185 IonicContact OD1-NE2 3.37Å; D183-H185 IonicContact OD2-CE1 3.68Å; D183-H185 PolarHBondContact OD2-CE1 2.98Å; D183-H185 VanDerWaalsContact OD2-CE1 3.26Å; D183-H185 IonicContact OD2-NE2 3.5Å; D183-H185 PolarHBondContact OD2-NE2 3.17Å; D183-H185 VanDerWaalsContact OD2-NE2 3.16Å; D183-R255 PolarHBondContact O-N 3.47Å; D183-R255 WeakPolarHBondContact OD1-CB 3.43Å; D183-R255 IonicContact OD1-CZ 3.67Å; D183-R255 IonicContact OD1-NE 2.7Å; D183-R255 PolarHBondContact OD1-NE 2.57Å; D183-R255 IonicContact OD1-NH2 3.61Å; D183-R255 IonicContact OD2-NE 3.97Å; D183-R255 IonicContact OD2-NH2 3.51Å; D183-R255 PolarHBondContact OD2-NH2 3.37Å
184	G	91.6	Very high	94	Very high	56 Å²	56	36.8 Å²	36.8	58%	0.577	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-125	141.3	170.3	0	0	0	0	0	109.7	L253	G184-L253 CarbonylContact C-O 3.54Å; G184-L253 WeakPolarHBondContact CA-O 3.46Å
185	H	93.6	Very high	94.1	Very high	14 Å²	14	35 Å²	35	7%	0.065	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	141	-176.2	-56.3	-38.7	0	0	0	110.7	M175 K176 D183 Y225 H252 L253	M175-H185 HydrophobicContact CG-CB 4.45Å; K176-H185 PolarHBondContact O-CE1 3.35Å; D183-H185 IonicContact OD1-NE2 3.37Å; D183-H185 IonicContact OD2-CE1 3.68Å; D183-H185 PolarHBondContact OD2-CE1 2.98Å; D183-H185 VanDerWaalsContact OD2-CE1 3.26Å; D183-H185 IonicContact OD2-NE2 3.5Å; D183-H185 PolarHBondContact OD2-NE2 3.17Å; D183-H185 VanDerWaalsContact OD2-NE2 3.16Å; H185-Y225 AromaticContact CD2-CE1 3.93Å; H185-H252 WeakPolarHBondContact O-CA 3.26Å; H185-L253 PolarHBondContact N-O 3.32Å; H185-L253 PolarHBondContact O-N 3.46Å
186	A	95.2	Very high	94.3	Very high	49 Å²	49	36.6 Å²	36.6	41%	0.405	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	98.9	171	0	0	0	0	0	108.5	P188 Y250 F251	A186-P188 WeakPolarHBondContact O-CD 3.5Å; A186-Y250 HydrophobicContact CB-CD1 4.19Å; A186-F251 CarbonylContact C-O 3.56Å; A186-F251 WeakPolarHBondContact CA-O 3.36Å
187	C	96.3	Very high	94.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	116.5	-177.5	-70.4	0	0	0	0	110.9	Y94 C173 F251 L253	Y94-C187 HydrophobicContact CD1-CB 4Å; Y94-C187 HydrophobicContact CE1-CB 3.75Å; C173-C187 HydrophobicContact CB-CB 3.67Å; C173-C187 WeakPolarHBondContact CB-SG 3.41Å; C173-C187 WeakPolarHBondContact SG-CA 3.48Å; C173-C187 WeakPolarHBondContact SG-CB 3.22Å; C173-C187 CovalentContact SG-SG 2.04Å; C173-C187 PolarHBondContact SG-SG 3.36Å; C187-F251 PolarHBondContact N-O 3.39Å; C187-F251 PolarHBondContact O-N 3.41Å; C187-L253 HydrophobicContact CB-CD1 4.45Å
188	P	97	Very high	94.7	Very high	10 Å²	10	33.5 Å²	33.5	7%	0.065	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	147.1	-178.1	32.7	-34	0	0	0	111.6	Y94 N137 A186 K190 T248 V249 Y250	Y94-P188 PolarHBondContact OH-O 2.95Å; N137-P188 PolarHBondContact ND2-O 3.4Å; A186-P188 WeakPolarHBondContact O-CD 3.5Å; P188-K190 HydrophobicContact CB-CG 4.19Å; P188-T248 HydrophobicContact CB-CG2 4.05Å; P188-V249 CarbonylContact C-O 3.54Å; P188-V249 VanDerWaalsContact CA-O 3.28Å; P188-V249 WeakPolarHBondContact CA-O 3.27Å; P188-Y250 HydrophobicContact CB-CD1 4.03Å; P188-Y250 HydrophobicContact CB-CE1 3.89Å
189	L	97.1	Very high	94.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.1	160.8	179.9	61.9	0	0	0	107.2	I79 Y94 M96 F135 I169 A171 T248 V249 F251	I79-L189 HydrophobicContact CD1-CD2 4.31Å; Y94-L189 WeakPolarHBondContact OH-CB 3.42Å; Y94-L189 PolarHBondContact OH-N 2.72Å; M96-L189 HydrophobicContact CE-CB 4.04Å; M96-L189 HydrophobicContact CE-CD1 3.48Å; M96-L189 VanDerWaalsContact CE-CD1 3.48Å; M96-L189 HydrophobicContact CE-CD2 3.58Å; M96-L189 HydrophobicContact CE-CG 3.87Å; M96-L189 HydrophobicContact SD-CD2 4.09Å; F135-L189 HydrophobicContact CD1-CD1 3.56Å; F135-L189 HydrophobicContact CD1-CG 4.16Å; F135-L189 HydrophobicContact CE1-CD1 4Å; F135-L189 HydrophobicContact CE1-CD2 4.23Å; F135-L189 HydrophobicContact CE1-CG 4.25Å; F135-L189 HydrophobicContact CG-CD1 4.5Å; I169-L189 HydrophobicContact CG2-CD1 4.05Å; A171-L189 HydrophobicContact CB-CD1 4.15Å; L189-T248 WeakPolarHBondContact O-CA 3.36Å; L189-V249 HydrophobicContact CB-CB 4.33Å; L189-V249 PolarHBondContact N-O 2.96Å; L189-V249 PolarHBondContact O-N 3.48Å; L189-F251 HydrophobicContact CB-CE2 4.07Å; L189-F251 HydrophobicContact CD2-CE2 4.46Å
190	K	97	Very high	95	Very high	55 Å²	55	35.6 Å²	35.6	24%	0.239	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	125.8	-175.6	-59.1	-169.8	178.2	-166.2	0	110	F135 R136 N137 P188 V246 M247 T248	F135-K190 CarbonylContact C-O 3.52Å; F135-K190 VanDerWaalsContact CA-O 3.32Å; F135-K190 WeakPolarHBondContact CA-O 3.28Å; R136-K190 HydrophobicContact CB-CB 4.09Å; R136-K190 PolarHBondContact N-O 2.9Å; N137-K190 PolarHBondContact OD1-N 2.8Å; P188-K190 HydrophobicContact CB-CG 4.19Å; K190-V246 HydrophobicContact CB-CG1 4.13Å; K190-M247 WeakPolarHBondContact CA-O 3.26Å; K190-T248 HydrophobicContact CG-CG2 3.96Å
191	F	97.4	Very high	95.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.5	174.4	64.9	-87.4	0	0	0	111.9	T77 I79 F100 T133 F134 F135 W205 M247	T77-F191 HydrophobicContact CG2-CE2 3.96Å; I79-F191 HydrophobicContact CD1-CD1 4.47Å; I79-F191 HydrophobicContact CD1-CE1 3.68Å; I79-F191 HydrophobicContact CD1-CZ 4.18Å; F100-F191 HydrophobicContact CE2-CD1 4.44Å; F100-F191 HydrophobicContact CE2-CD2 4.11Å; F100-F191 HydrophobicContact CE2-CE1 4.26Å; F100-F191 AromaticContact CE2-CE2 3.92Å; F100-F191 HydrophobicContact CE2-CE2 3.92Å; F100-F191 HydrophobicContact CE2-CG 4.36Å; F100-F191 AromaticContact CE2-CZ 3.98Å; F100-F191 HydrophobicContact CE2-CZ 3.98Å; F100-F191 AromaticContact CZ-CD2 3.81Å; F100-F191 HydrophobicContact CZ-CD2 3.81Å; F100-F191 AromaticContact CZ-CE2 3.81Å; F100-F191 HydrophobicContact CZ-CE2 3.81Å; F100-F191 HydrophobicContact CZ-CG 4.36Å; F100-F191 HydrophobicContact CZ-CZ 4.35Å; T133-F191 HydrophobicContact CG2-CB 4.3Å; T133-F191 HydrophobicContact CG2-CD2 3.86Å; F134-F191 VanDerWaalsContact O-CA 3.25Å; F134-F191 WeakPolarHBondContact O-CA 3.37Å; F134-F191 WeakPolarHBondContact O-CB 3.32Å; F135-F191 HydrophobicContact CD1-CB 3.77Å; F135-F191 HydrophobicContact CE1-CB 3.9Å; F135-F191 HydrophobicContact CE1-CD1 4.3Å; F135-F191 HydrophobicContact CE1-CG 4.32Å; F191-W205 AromaticContact CE1-CH2 3.82Å; F191-W205 HydrophobicContact CE1-CH2 3.82Å; F191-W205 HydrophobicContact CE1-CZ2 4.43Å; F191-W205 AromaticContact CZ-CH2 3.69Å; F191-W205 HydrophobicContact CZ-CH2 3.69Å; F191-W205 HydrophobicContact CZ-CZ2 4.28Å; F191-W205 HydrophobicContact CZ-CZ3 4.15Å; F191-M247 HydrophobicContact CD1-CB 4.08Å; F191-M247 HydrophobicContact CD2-CB 3.97Å; F191-M247 HydrophobicContact CD2-CG 4.28Å; F191-M247 HydrophobicContact CE1-CB 3.58Å; F191-M247 HydrophobicContact CE2-CB 3.46Å; F191-M247 VanDerWaalsContact CE2-CB 3.46Å; F191-M247 HydrophobicContact CE2-CG 3.62Å; F191-M247 HydrophobicContact CG-CB 4.27Å; F191-M247 HydrophobicContact CZ-CB 3.25Å; F191-M247 HydrophobicContact CZ-CG 3.81Å; F191-M247 PolarHBondContact N-O 3.46Å; F191-M247 PolarHBondContact O-N 2.87Å
192	G	96.9	Very high	95.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.5	-171.6	176.7	0	0	0	0	0	110.8	T133 F134	T133-G192 WeakPolarHBondContact CA-O 3.42Å; F134-G192 VanDerWaalsContact CD1-O 3.23Å; F134-G192 WeakPolarHBondContact CD1-O 3.28Å; F134-G192 PolarHBondContact N-O 3.15Å; F134-G192 PolarHBondContact O-N 2.94Å; F134-G192 VanDerWaalsContact O-N 3.15Å
193	S	97.1	Very high	95.6	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	142.5	178	-178.3	0	0	0	0	110.1	D132 F134 Y196 M201 Y244	D132-S193 WeakPolarHBondContact OD1-CB 3.47Å; D132-S193 PolarHBondContact OD1-OG 3.39Å; D132-S193 PolarHBondContact OD2-OG 2.83Å; F134-S193 WeakPolarHBondContact CE1-O 3.25Å; S193-Y196 WeakPolarHBondContact CB-O 3.47Å; S193-Y196 WeakPolarHBondContact OG-CB 3.48Å; S193-Y196 PolarHBondContact OG-N 3.19Å; S193-Y196 PolarHBondContact OG-O 3.41Å; S193-M201 WeakPolarHBondContact OG-CE 2.75Å; S193-Y244 WeakPolarHBondContact O-CD1 3.35Å
194	Y	95.1	Very high	95.9	Very high	167 Å²	167	39.2 Å²	39.2	66%	0.655	22%	0.22	S	C	*	.	S	Bend	trans	-79.5	-52.4	174.7	-176.1	-100.5	0	0	0	111.8	D132 F134 Y244	D132-Y194 PolarHBondContact O-N 3.08Å; D132-Y194 PolarHBondContact OD2-N 2.98Å; F134-Y194 HydrophobicContact CD1-CD2 4.16Å; F134-Y194 HydrophobicContact CD1-CG 4.42Å; F134-Y194 VanDerWaalsContact CE1-CA 3.5Å; F134-Y194 HydrophobicContact CE1-CD2 4.01Å; F134-Y194 HydrophobicContact CE1-CG 4.47Å; F134-Y194 HydrophobicContact CE2-CD2 4.42Å; F134-Y194 HydrophobicContact CG-CD2 4.44Å; F134-Y194 HydrophobicContact CZ-CD2 4.12Å; Y194-Y244 WeakPolarHBondContact O-CE1 3.31Å
195	A	95.4	Very high	96	Very high	54 Å²	54	38 Å²	38	45%	0.446	20%	0.198	S	C	.	.	S	Bend	trans	-95.9	-39.7	-173.4	0	0	0	0	0	113	D132 P197 Y244	D132-A195 VanDerWaalsContact OD2-CB 3.22Å; D132-A195 WeakPolarHBondContact OD2-CB 3.4Å; D132-A195 PolarHBondContact OD2-N 3.16Å; A195-P197 WeakPolarHBondContact O-CD 3.42Å; A195-Y244 PolarHBondContact O-OH 3.4Å
196	Y	96	Very high	96	Very high	43 Å²	43	40.2 Å²	40.2	17%	0.169	21%	0.212	C	C	.	.			trans	-85.2	118.1	-169	-57.3	-71.9	0	0	0	112.6	R65 W129 D132 S193 E200 M201 Y244	R65-Y196 HydrophobicContact CB-CE1 4.18Å; W129-Y196 HydrophobicContact CZ2-CD2 4.37Å; W129-Y196 AromaticContact CZ2-CE2 3.79Å; W129-Y196 HydrophobicContact CZ2-CE2 3.79Å; W129-Y196 AromaticContact NE1-CE2 3.98Å; W129-Y196 AromaticContact NE1-CZ 3.72Å; W129-Y196 PolarHBondContact NE1-OH 3.37Å; D132-Y196 WeakPolarHBondContact OD1-CD2 3.44Å; S193-Y196 WeakPolarHBondContact CB-O 3.47Å; S193-Y196 WeakPolarHBondContact OG-CB 3.48Å; S193-Y196 PolarHBondContact OG-N 3.19Å; S193-Y196 PolarHBondContact OG-O 3.41Å; Y196-E200 HydrophobicContact CD1-CB 4.31Å; Y196-E200 WeakPolarHBondContact CD1-OE2 3.4Å; Y196-M201 HydrophobicContact CD2-CE 3.92Å; Y196-M201 HydrophobicContact CD2-SD 4.32Å; Y196-M201 HydrophobicContact CG-CB 4.42Å; Y196-M201 HydrophobicContact CG-CE 4.46Å; Y196-Y244 VanDerWaalsContact C-CE1 3.49Å; Y196-Y244 WeakPolarHBondContact O-CD1 3.44Å; Y196-Y244 VanDerWaalsContact O-CE1 3.27Å; Y196-Y244 WeakPolarHBondContact O-CE1 3.42Å
197	P	96.3	Very high	95.8	Very high	18 Å²	18	42.6 Å²	42.6	12%	0.117	21%	0.214	C	C	.	.			trans	-72.9	171.7	173.4	32	-36	0	0	0	111.5	A195 T199 E200 M201 E243	A195-P197 WeakPolarHBondContact O-CD 3.42Å; P197-T199 WeakPolarHBondContact CG-OG1 3.46Å; P197-T199 PolarHBondContact O-N 2.81Å; P197-T199 VanDerWaalsContact O-N 3.09Å; P197-E200 HydrophobicContact CG-CB 4.47Å; P197-E200 HydrophobicContact CG-CG 4.23Å; P197-E200 PolarHBondContact O-N 3.46Å; P197-M201 PolarHBondContact O-N 2.85Å; P197-E243 CarbonylContact C-O 3.44Å; P197-E243 WeakPolarHBondContact CA-O 3.41Å; P197-E243 WeakPolarHBondContact CB-O 3.15Å
198	K	96	Very high	95.4	Very high	90 Å²	90	43.8 Å²	43.8	39%	0.391	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-27.2	178.1	-178.1	175.9	179.6	178.8	0	113.6	E200 I202 T236 E243 V245	K198-E200 PolarHBondContact O-N 2.85Å; K198-I202 HydrophobicContact CG-CG2 4.11Å; K198-I202 WeakPolarHBondContact O-CG2 3.39Å; K198-T236 HydrophobicContact CD-CG2 4.03Å; K198-E243 WeakPolarHBondContact CB-O 3.11Å; K198-E243 PolarHBondContact N-O 2.6Å; K198-V245 HydrophobicContact CB-CG2 4.08Å; K198-V245 HydrophobicContact CD-CG2 4.04Å; K198-V245 HydrophobicContact CG-CG2 3.77Å
199	T	94.5	Very high	94.7	Very high	108 Å²	108	46.8 Å²	46.8	66%	0.663	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-10.5	176	52.7	0	0	0	0	113.6	V72 P197	V72-T199 WeakPolarHBondContact CG1-O 3.37Å; P197-T199 WeakPolarHBondContact CG-OG1 3.46Å; P197-T199 PolarHBondContact O-N 2.81Å; P197-T199 VanDerWaalsContact O-N 3.09Å
200	E	95.3	Very high	93.9	Very high	60 Å²	60	53.4 Å²	53.4	28%	0.28	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.7	-40.2	-178.8	-70.5	-169.9	-137.7	0	0	112.3	R65 V72 T73 Y196 P197 K198	R65-E200 IonicContact NE-OE2 2.69Å; R65-E200 PolarHBondContact NE-OE2 3.21Å; R65-E200 PolarHBondContact NH1-O 2.87Å; V72-E200 WeakPolarHBondContact CA-O 3.44Å; T73-E200 PolarHBondContact N-O 3.16Å; Y196-E200 HydrophobicContact CD1-CB 4.31Å; Y196-E200 WeakPolarHBondContact CD1-OE2 3.4Å; P197-E200 HydrophobicContact CG-CB 4.47Å; P197-E200 HydrophobicContact CG-CG 4.23Å; P197-E200 PolarHBondContact O-N 3.46Å; K198-E200 PolarHBondContact O-N 2.85Å
201	M	95.6	Very high	93.6	Very high	3 Å²	3	57 Å²	57	2%	0.015	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	140.2	-177.9	-169.1	169.3	72.1	0	0	111.7	T73 V75 W129 P131 S193 Y196 P197 Y203	T73-M201 WeakPolarHBondContact O-CA 3.39Å; T73-M201 WeakPolarHBondContact O-CG 3.39Å; V75-M201 HydrophobicContact CG2-CG 3.91Å; V75-M201 HydrophobicContact CG2-SD 3.62Å; W129-M201 HydrophobicContact CH2-SD 3.69Å; W129-M201 HydrophobicContact CZ2-SD 4.11Å; P131-M201 HydrophobicContact CB-CE 4.1Å; P131-M201 HydrophobicContact CB-SD 3.89Å; S193-M201 WeakPolarHBondContact OG-CE 2.75Å; Y196-M201 HydrophobicContact CD2-CE 3.92Å; Y196-M201 HydrophobicContact CD2-SD 4.32Å; Y196-M201 HydrophobicContact CG-CB 4.42Å; Y196-M201 HydrophobicContact CG-CE 4.46Å; P197-M201 PolarHBondContact O-N 2.85Å; M201-Y203 HydrophobicContact CE-CE2 3.86Å; M201-Y203 WeakPolarHBondContact CE-OH 3.12Å
202	I	96.8	Very high	93.4	Very high	45 Å²	45	57 Å²	57	23%	0.231	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.2	176.6	62.5	172.4	0	0	0	110.6	V72 T73 E74 V75 K198 V245	V72-I202 HydrophobicContact CG2-CD1 4.09Å; V72-I202 HydrophobicContact CG2-CG1 4.23Å; T73-I202 PolarHBondContact O-N 3.33Å; E74-I202 HydrophobicContact CB-CD1 4.48Å; E74-I202 HydrophobicContact CB-CG1 4.19Å; E74-I202 HydrophobicContact CG-CD1 4.31Å; E74-I202 HydrophobicContact CG-CG1 4.16Å; V75-I202 PolarHBondContact N-O 2.86Å; K198-I202 HydrophobicContact CG-CG2 4.11Å; K198-I202 WeakPolarHBondContact O-CG2 3.39Å; I202-V245 HydrophobicContact CB-CG2 4.41Å; I202-V245 HydrophobicContact CG2-CG2 4.14Å
203	Y	97.1	Very high	93.3	Very high	8 Å²	8	57.1 Å²	57.1	3%	0.031	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	140.6	171.6	-70.6	-82.9	0	0	0	110.9	V75 T77 T133 M201 M247	V75-Y203 HydrophobicContact CB-CD1 3.92Å; V75-Y203 HydrophobicContact CB-CE1 4Å; V75-Y203 HydrophobicContact CG1-CD1 4Å; V75-Y203 HydrophobicContact CG1-CE1 3.83Å; V75-Y203 WeakPolarHBondContact O-CA 3.35Å; T77-Y203 HydrophobicContact CG2-CD1 3.71Å; T77-Y203 HydrophobicContact CG2-CE1 4.16Å; T133-Y203 WeakPolarHBondContact CB-OH 3.48Å; T133-Y203 HydrophobicContact CG2-CE1 4.18Å; T133-Y203 PolarHBondContact OG1-OH 3.08Å; M201-Y203 HydrophobicContact CE-CE2 3.86Å; M201-Y203 WeakPolarHBondContact CE-OH 3.12Å; Y203-M247 VanDerWaalsContact CB-CG 3.44Å; Y203-M247 HydrophobicContact CG-CG 4.13Å
204	T	95.9	Very high	93.1	Very high	39 Å²	39	60 Å²	60	24%	0.239	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	159.3	175.6	57.4	0	0	0	0	110.7	E74 V75 K76 T77	E74-T204 HydrophobicContact CG-CG2 4.12Å; E74-T204 WeakPolarHBondContact OE1-CB 3.38Å; E74-T204 WeakPolarHBondContact OE1-CG2 3.12Å; E74-T204 PolarHBondContact OE1-OG1 2.89Å; V75-T204 PolarHBondContact O-N 2.67Å; K76-T204 CarbonylContact C-O 3.44Å; K76-T204 VanDerWaalsContact CA-O 3.32Å; K76-T204 WeakPolarHBondContact CA-O 3.44Å; K76-T204 WeakPolarHBondContact CG-OG1 3.28Å; T77-T204 PolarHBondContact N-O 3.11Å; T77-T204 PolarHBondContact OG1-O 3.01Å
205	W	95.2	Very high	92.9	Very high	30 Å²	30	53.6 Å²	53.6	11%	0.114	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	127.5	179.7	-70.6	114	0	0	0	111.1	I79 F191 K207 G208 S212 V213 V232 M247 V249	I79-W205 HydrophobicContact CD1-CH2 4.2Å; I79-W205 HydrophobicContact CD1-CZ3 4.28Å; I79-W205 HydrophobicContact CG1-CZ3 4.29Å; F191-W205 AromaticContact CE1-CH2 3.82Å; F191-W205 HydrophobicContact CE1-CH2 3.82Å; F191-W205 HydrophobicContact CE1-CZ2 4.43Å; F191-W205 AromaticContact CZ-CH2 3.69Å; F191-W205 HydrophobicContact CZ-CH2 3.69Å; F191-W205 HydrophobicContact CZ-CZ2 4.28Å; F191-W205 HydrophobicContact CZ-CZ3 4.15Å; W205-K207 PolarHBondContact O-N 3.39Å; W205-G208 PolarHBondContact O-N 2.86Å; W205-S212 WeakPolarHBondContact CB-OG 3.23Å; W205-S212 VanDerWaalsContact CE3-CB 3.43Å; W205-V213 HydrophobicContact CH2-CG2 4.02Å; W205-V213 HydrophobicContact CZ3-CG2 3.93Å; W205-V232 HydrophobicContact CD2-CG1 3.83Å; W205-V232 HydrophobicContact CG-CG1 4.19Å; W205-V232 HydrophobicContact CH2-CG1 4.18Å; W205-V232 HydrophobicContact CZ2-CG1 3.3Å; W205-M247 VanDerWaalsContact CD1-CE 3.46Å; W205-M247 HydrophobicContact CD2-CE 3.52Å; W205-M247 HydrophobicContact CE3-CE 4.27Å; W205-M247 HydrophobicContact CG-CE 3.65Å; W205-M247 HydrophobicContact CH2-CB 4.5Å; W205-M247 HydrophobicContact CZ2-CB 3.98Å; W205-M247 HydrophobicContact CZ2-CE 3.87Å; W205-V249 HydrophobicContact CH2-CG2 3.53Å; W205-V249 HydrophobicContact CZ2-CG2 3.96Å
206	T	93.2	Very high	92.7	Very high	61 Å²	61	52.1 Å²	52.1	37%	0.374	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-44.6	-172.5	-52.8	0	0	0	0	113.2	T77 S212	T77-T206 VanDerWaalsContact C-OG1 3.27Å; T77-T206 PolarHBondContact N-OG1 2.86Å; T77-T206 PolarHBondContact O-N 3.02Å; T77-T206 PolarHBondContact O-OG1 2.9Å; T206-S212 PolarHBondContact N-OG 3.13Å
207	K	89.9	Confident	92.2	Very high	100 Å²	100	55.4 Å²	55.4	44%	0.435	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	17	-178.8	-54.9	179.8	-170.6	174.9	0	112.2	W205 H211 S212 E214	W205-K207 PolarHBondContact O-N 3.39Å; K207-H211 HydrophobicContact CB-CB 3.82Å; K207-H211 HydrophobicContact CD-CB 4.39Å; K207-S212 WeakPolarHBondContact CA-OG 3.44Å; K207-S212 PolarHBondContact N-OG 3Å; K207-E214 IonicContact NZ-OE1 3.95Å; K207-E214 PolarHBondContact NZ-OE1 3.34Å
208	G	88.9	Confident	91.7	Very high	24 Å²	24	63.4 Å²	63.4	25%	0.247	33%	0.334	C	S	.	.			trans	76.7	-179.5	-170.8	0	0	0	0	0	113.9	W205 Q210 S212	W205-G208 PolarHBondContact O-N 2.86Å; G208-Q210 PolarHBondContact O-N 3.11Å; G208-S212 PolarHBondContact N-OG 2.75Å; G208-S212 VanDerWaalsContact O-CB 3.31Å; G208-S212 WeakPolarHBondContact O-CB 3.37Å; G208-S212 PolarHBondContact O-N 3.29Å; G208-S212 PolarHBondContact O-OG 3.49Å
209	P	82.8	Confident	91	Very high	73 Å²	73	60 Å²	60	47%	0.474	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-35.9	-168.5	-23.1	34	0	0	0	114.7	V232	P209-V232 HydrophobicContact CB-CB 4.28Å; P209-V232 HydrophobicContact CB-CG1 4.33Å; P209-V232 VanDerWaalsContact O-CB 3.23Å; P209-V232 WeakPolarHBondContact O-CB 3.23Å; P209-V232 WeakPolarHBondContact O-CG2 3.2Å
210	Q	80	Confident	90.3	Very high	141 Å²	141	56.6 Å²	56.6	66%	0.659	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-27	-172.5	-63.5	-65.5	-14.5	0	0	113.8	G208	G208-Q210 PolarHBondContact O-N 3.11Å
211	H	89.8	Confident	89.5	Confident	129 Å²	129	58.7 Å²	58.7	60%	0.597	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.3	-5.8	-170.5	-63.8	-58.5	0	0	0	114.6	K207 V213	K207-H211 HydrophobicContact CB-CB 3.82Å; K207-H211 HydrophobicContact CD-CB 4.39Å; H211-V213 VanDerWaalsContact C-N 3.3Å
212	S	93.1	Very high	89	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.325	C	S	.	.	S	Bend	trans	-84.6	-4.3	-179.6	-54.9	0	0	0	0	114	D78 I79 W205 T206 K207 G208	D78-S212 VanDerWaalsContact OD1-O 3.06Å; I79-S212 PolarHBondContact N-O 2.81Å; W205-S212 WeakPolarHBondContact CB-OG 3.23Å; W205-S212 VanDerWaalsContact CE3-CB 3.43Å; T206-S212 PolarHBondContact N-OG 3.13Å; K207-S212 WeakPolarHBondContact CA-OG 3.44Å; K207-S212 PolarHBondContact N-OG 3Å; G208-S212 PolarHBondContact N-OG 2.75Å; G208-S212 VanDerWaalsContact O-CB 3.31Å; G208-S212 WeakPolarHBondContact O-CB 3.37Å; G208-S212 PolarHBondContact O-N 3.29Å; G208-S212 PolarHBondContact O-OG 3.49Å
213	V	94.4	Very high	88.5	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.018	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	106.5	172.7	-176.7	0	0	0	0	107.9	I79 W205 H211 Q230 V232 V249 F251	I79-V213 HydrophobicContact CB-CG2 4.35Å; I79-V213 WeakPolarHBondContact O-CA 3.41Å; W205-V213 HydrophobicContact CH2-CG2 4.02Å; W205-V213 HydrophobicContact CZ3-CG2 3.93Å; H211-V213 VanDerWaalsContact C-N 3.3Å; V213-Q230 HydrophobicContact CB-CG 4.32Å; V213-Q230 HydrophobicContact CG1-CG 4.11Å; V213-Q230 PolarHBondContact O-NE2 2.85Å; V213-V232 HydrophobicContact CB-CG2 4.27Å; V213-V232 HydrophobicContact CG2-CG2 3.68Å; V213-V249 HydrophobicContact CG1-CG1 4.03Å; V213-V249 HydrophobicContact CG2-CG1 4.09Å; V213-V249 HydrophobicContact CG2-CG2 3.73Å; V213-F251 HydrophobicContact CG1-CE1 4.38Å
214	E	93.1	Very high	88.1	Confident	65 Å²	65	68.2 Å²	68.2	30%	0.304	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.9	-178.2	-68.2	174.3	-169	0	0	109.7	I79 Y80 V81 K207	I79-E214 PolarHBondContact O-N 3.44Å; Y80-E214 HydrophobicContact CD2-CB 3.9Å; Y80-E214 HydrophobicContact CE2-CB 4.42Å; V81-E214 PolarHBondContact N-O 3Å; K207-E214 IonicContact NZ-OE1 3.95Å; K207-E214 PolarHBondContact NZ-OE1 3.34Å
215	V	92.7	Very high	87.9	Confident	31 Å²	31	66.4 Å²	66.4	19%	0.188	37%	0.365	C	S	.	.			trans	-121.1	105.5	173	-168.4	0	0	0	0	108.1	V81 L227 F251	V81-V215 HydrophobicContact CB-CB 4.42Å; V81-V215 HydrophobicContact CB-CG1 4.22Å; V81-V215 HydrophobicContact CB-CG2 3.97Å; V81-V215 HydrophobicContact CG1-CG1 4.3Å; V81-V215 HydrophobicContact CG2-CG2 3.83Å; V215-L227 HydrophobicContact CB-CD2 4.42Å; V215-L227 HydrophobicContact CG1-CD2 3.75Å; V215-L227 HydrophobicContact CG2-CD2 4.46Å; V215-F251 HydrophobicContact CG2-CE1 4.24Å
216	P	90.4	Very high	87.7	Confident	24 Å²	24	68.3 Å²	68.3	16%	0.156	38%	0.378	C	S	.	.			trans	-61.3	146.3	174.5	-21.2	32.5	0	0	0	111.3	Y80 V81 E218 S219 S220	Y80-P216 HydrophobicContact CE1-CG 4.05Å; Y80-P216 HydrophobicContact CE2-CG 3.92Å; Y80-P216 VanDerWaalsContact CZ-CG 3.43Å; Y80-P216 WeakPolarHBondContact OH-CG 3.41Å; V81-P216 WeakPolarHBondContact O-CD 3.34Å; P216-E218 VanDerWaalsContact C-N 3.25Å; P216-E218 PolarHBondContact O-N 2.84Å; P216-S219 WeakPolarHBondContact O-CA 3.18Å; P216-S219 WeakPolarHBondContact O-CB 3.03Å; P216-S219 PolarHBondContact O-N 2.6Å; P216-S220 PolarHBondContact O-N 3.2Å
217	P	85.4	Confident	87.6	Confident	112 Å²	112	66.8 Å²	66.8	73%	0.727	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-56.8	-38.5	177.8	-26	34.4	0	0	0	113.1	S219 S220	P217-S219 PolarHBondContact O-N 3.38Å; P217-S220 PolarHBondContact O-N 2.73Å; P217-S220 VanDerWaalsContact O-N 3.17Å; P217-S220 PolarHBondContact O-OG 3.49Å
218	E	85.1	Confident	87.7	Confident	185 Å²	185	67.6 Å²	67.6	86%	0.864	38%	0.375	S	S	*	.	G	3₁₀ helix	trans	-61.6	-30.1	176.9	-60.4	-176.6	177.6	0	0	112.6	P216 S220	P216-E218 VanDerWaalsContact C-N 3.25Å; P216-E218 PolarHBondContact O-N 2.84Å; E218-S220 VanDerWaalsContact C-N 3.34Å
219	S	81.7	Confident	87.8	Confident	20 Å²	20	67.4 Å²	67.4	14%	0.14	37%	0.373	C	S	.	.	G	3₁₀ helix	trans	-84.4	-7.8	-178.5	-56.7	0	0	0	0	113.7	T82 F84 P216 P217	T82-S219 WeakPolarHBondContact O-CB 3.23Å; T82-S219 PolarHBondContact O-OG 2.94Å; F84-S219 PolarHBondContact N-O 2.71Å; P216-S219 WeakPolarHBondContact O-CA 3.18Å; P216-S219 WeakPolarHBondContact O-CB 3.03Å; P216-S219 PolarHBondContact O-N 2.6Å; P217-S219 PolarHBondContact O-N 3.38Å
220	S	80.4	Confident	88.2	Confident	36 Å²	36	66.7 Å²	66.7	25%	0.252	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-95.9	-3.7	-172.1	72.6	0	0	0	0	114.7	P216 P217 E218 L222	P216-S220 PolarHBondContact O-N 3.2Å; P217-S220 PolarHBondContact O-N 2.73Å; P217-S220 VanDerWaalsContact O-N 3.17Å; P217-S220 PolarHBondContact O-OG 3.49Å; E218-S220 VanDerWaalsContact C-N 3.34Å; S220-L222 PolarHBondContact O-N 3.19Å; S220-L222 VanDerWaalsContact O-N 3.11Å
221	S	77.9	Confident	88.9	Confident	103 Å²	103	62.9 Å²	62.9	72%	0.72	35%	0.35	S	S	*	.			trans	-73.8	103.7	-174.6	176.1	0	0	0	0	112.2
222	L	86.1	Confident	89.1	Confident	11 Å²	11	58.1 Å²	58.1	6%	0.058	33%	0.33	C	S	.	.			trans	-106.3	147.6	174.9	-71.7	163.7	0	0	0	111.9	F84 G85 S220 Y225 L253 K256	F84-L222 HydrophobicContact CB-CD1 4.35Å; F84-L222 HydrophobicContact CB-CD2 4.17Å; F84-L222 HydrophobicContact CB-CG 4.31Å; F84-L222 HydrophobicContact CD1-CD1 3.62Å; F84-L222 HydrophobicContact CD1-CD2 3.69Å; F84-L222 HydrophobicContact CD1-CG 4.13Å; F84-L222 HydrophobicContact CE1-CD1 4.11Å; F84-L222 HydrophobicContact CG-CD1 4.1Å; F84-L222 HydrophobicContact CG-CD2 4.36Å; G85-L222 WeakPolarHBondContact O-CD2 3.12Å; S220-L222 PolarHBondContact O-N 3.19Å; S220-L222 VanDerWaalsContact O-N 3.11Å; L222-Y225 CarbonylContact C-O 3.59Å; L222-Y225 WeakPolarHBondContact CB-O 3.3Å; L222-L253 HydrophobicContact CD1-CD2 3.83Å; L222-K256 PolarHBondContact O-NZ 3.42Å
223	V	85.5	Confident	89	Confident	139 Å²	139	60 Å²	60	84%	0.842	34%	0.343	S	S	*	.	S	Bend	trans	-75	-46.4	-176.4	-178.1	0	0	0	0	111.6
224	Q	87.9	Confident	88.9	Confident	106 Å²	106	63.7 Å²	63.7	50%	0.495	37%	0.369	S	S	.	.	S	Bend	trans	-101.8	-18	-174	-67.3	177.1	-15.9	0	0	113.6	K256	Q224-K256 PolarHBondContact O-N 3.45Å
225	Y	91.9	Very high	89	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.008	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	164.3	-175.8	-70.4	-90.3	0	0	0	110.6	V87 D89 H185 L222 L253 K254 R255 K256	V87-Y225 HydrophobicContact CB-CD2 3.93Å; V87-Y225 HydrophobicContact CB-CE2 3.83Å; V87-Y225 HydrophobicContact CG1-CD2 4.17Å; V87-Y225 HydrophobicContact CG1-CE2 3.66Å; V87-Y225 HydrophobicContact CG2-CD2 4.19Å; V87-Y225 HydrophobicContact CG2-CE2 4.5Å; D89-Y225 PolarHBondContact OD1-OH 2.96Å; H185-Y225 AromaticContact CD2-CE1 3.93Å; L222-Y225 CarbonylContact C-O 3.59Å; L222-Y225 WeakPolarHBondContact CB-O 3.3Å; Y225-L253 HydrophobicContact CD1-CB 3.93Å; Y225-L253 HydrophobicContact CG-CB 4.42Å; Y225-K254 CarbonylContact C-O 3.52Å; Y225-K254 VanDerWaalsContact CA-O 3.23Å; Y225-K254 WeakPolarHBondContact CA-O 3.43Å; Y225-R255 HydrophobicContact CD1-CB 4.08Å; Y225-R255 HydrophobicContact CE1-CB 3.95Å; Y225-R255 HydrophobicContact CE1-CG 4.33Å; Y225-R255 PolarHBondContact OH-NH1 3.01Å; Y225-R255 VanDerWaalsContact OH-NH1 3.17Å; Y225-R255 PolarHBondContact OH-NH2 2.93Å; Y225-K256 WeakPolarHBondContact O-CE 3.3Å
226	D	91.3	Very high	89.1	Confident	70 Å²	70	65.5 Å²	65.5	37%	0.374	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	130.2	164	-70.6	-52.1	0	0	0	108	I228 L253 K254 K256	D226-I228 HydrophobicContact CB-CD1 4.31Å; D226-I228 PolarHBondContact O-N 2.75Å; D226-L253 WeakPolarHBondContact O-CA 3.35Å; D226-K254 PolarHBondContact N-O 2.99Å; D226-K254 PolarHBondContact O-N 2.92Å; D226-K256 WeakPolarHBondContact OD1-CE 3.35Å; D226-K256 IonicContact OD1-NZ 2.76Å; D226-K256 PolarHBondContact OD1-NZ 3.44Å; D226-K256 VanDerWaalsContact OD1-NZ 3.08Å; D226-K256 WeakPolarHBondContact OD2-CE 3.41Å; D226-K256 WeakPolarHBondContact OD2-CG 3.32Å
227	L	91.7	Very high	89.3	Confident	28 Å²	28	67.1 Å²	67.1	15%	0.147	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	105.4	170.7	178.9	66.3	0	0	0	108.2	F84 V215 F251 L253	F84-L227 HydrophobicContact CD2-CD2 4.45Å; V215-L227 HydrophobicContact CB-CD2 4.42Å; V215-L227 HydrophobicContact CG1-CD2 3.75Å; V215-L227 HydrophobicContact CG2-CD2 4.46Å; L227-F251 HydrophobicContact CD1-CB 4.02Å; L227-F251 HydrophobicContact CD1-CD1 4.21Å; L227-L253 HydrophobicContact CB-CD2 4.27Å; L227-L253 HydrophobicContact CD1-CD2 3.76Å
228	I	90.9	Very high	89.8	Confident	117 Å²	117	69.6 Å²	69.6	60%	0.6	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	-35.5	-178.9	-56.5	-58.6	0	0	0	110.9	D226 H252 K254	D226-I228 HydrophobicContact CB-CD1 4.31Å; D226-I228 PolarHBondContact O-N 2.75Å; I228-H252 HydrophobicContact CB-CB 4.4Å; I228-H252 PolarHBondContact N-O 2.97Å; I228-K254 HydrophobicContact CD1-CB 3.86Å; I228-K254 HydrophobicContact CD1-CD 4.41Å; I228-K254 HydrophobicContact CG1-CB 3.7Å
229	G	91.1	Very high	90.1	Very high	20 Å²	20	63.3 Å²	63.3	21%	0.206	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.6	-171.3	178.5	0	0	0	0	0	112.4	H252	G229-H252 WeakPolarHBondContact O-CB 3.06Å; G229-H252 PolarHBondContact O-N 3.3Å
230	Q	92.3	Very high	90.7	Very high	58 Å²	58	70.7 Å²	70.7	27%	0.271	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	142.7	-178.4	73.1	-75.7	15.2	0	0	111.2	V213 V249 Y250 F251	V213-Q230 HydrophobicContact CB-CG 4.32Å; V213-Q230 HydrophobicContact CG1-CG 4.11Å; V213-Q230 PolarHBondContact O-NE2 2.85Å; Q230-V249 HydrophobicContact CB-CG1 4.44Å; Q230-Y250 CarbonylContact C-O 3.57Å; Q230-Y250 WeakPolarHBondContact CA-O 3.04Å; Q230-F251 HydrophobicContact CB-CD1 4.02Å; Q230-F251 HydrophobicContact CB-CE1 4.25Å
231	T	93.7	Very high	91.4	Very high	62 Å²	62	73.6 Å²	73.6	38%	0.38	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	150.8	170.7	54.5	0	0	0	0	110.1	V249 Y250 H252	T231-V249 CarbonylContact O-C 3.58Å; T231-V249 WeakPolarHBondContact O-CA 3.34Å; T231-Y250 PolarHBondContact N-O 2.04Å; T231-Y250 PolarHBondContact O-N 2.73Å; T231-Y250 WeakPolarHBondContact OG1-CB 3.25Å; T231-H252 VanDerWaalsContact CG2-NE2 3.29Å; T231-H252 WeakPolarHBondContact CG2-NE2 3.45Å; T231-H252 PolarHBondContact OG1-NE2 2.75Å
232	V	94	Very high	92.1	Very high	29 Å²	29	69.9 Å²	69.9	18%	0.176	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	133.7	-170.7	174.9	0	0	0	0	109.5	W205 P209 V213 V249	W205-V232 HydrophobicContact CD2-CG1 3.83Å; W205-V232 HydrophobicContact CG-CG1 4.19Å; W205-V232 HydrophobicContact CH2-CG1 4.18Å; W205-V232 HydrophobicContact CZ2-CG1 3.3Å; P209-V232 HydrophobicContact CB-CB 4.28Å; P209-V232 HydrophobicContact CB-CG1 4.33Å; P209-V232 VanDerWaalsContact O-CB 3.23Å; P209-V232 WeakPolarHBondContact O-CB 3.23Å; P209-V232 WeakPolarHBondContact O-CG2 3.2Å; V213-V232 HydrophobicContact CB-CG2 4.27Å; V213-V232 HydrophobicContact CG2-CG2 3.68Å; V232-V249 HydrophobicContact CG2-CG1 4.34Å; V232-V249 HydrophobicContact CG2-CG2 4.44Å
233	S	91.6	Very high	92.7	Very high	40 Å²	40	73.7 Å²	73.7	28%	0.28	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	158.1	-178.7	-177.4	0	0	0	0	110.7	T248	S233-T248 PolarHBondContact N-O 3.11Å; S233-T248 PolarHBondContact O-N 2.99Å; S233-T248 VanDerWaalsContact O-O 3.06Å
234	S	93.1	Very high	93.2	Very high	79 Å²	79	67.6 Å²	67.6	55%	0.552	37%	0.372	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.4	124.5	171.2	60	0	0	0	0	108.8
235	E	93.9	Very high	93.6	Very high	67 Å²	67	63.4 Å²	63.4	31%	0.313	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	148.1	-175.7	-66.5	172.6	-173	0	0	109.9	V246	E235-V246 PolarHBondContact N-O 3.1Å; E235-V246 PolarHBondContact O-N 2.83Å
236	T	95.7	Very high	93.8	Very high	68 Å²	68	63.3 Å²	63.3	42%	0.417	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	119.7	169.5	-57.7	0	0	0	0	108.4	K198 E243 Y244	K198-T236 HydrophobicContact CD-CG2 4.03Å; T236-E243 HydrophobicContact CG2-CB 4.02Å; T236-Y244 CarbonylContact C-O 3.38Å; T236-Y244 WeakPolarHBondContact CA-O 3.31Å
237	I	94.6	Very high	94.1	Very high	58 Å²	58	60 Å²	60	30%	0.297	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	128.1	-179.6	-56.4	-173.2	0	0	0	109.3	Y244 V246	I237-Y244 PolarHBondContact N-O 3.18Å; I237-Y244 PolarHBondContact O-N 2.97Å; I237-V246 HydrophobicContact CB-CG2 4.2Å; I237-V246 HydrophobicContact CD1-CB 4.08Å; I237-V246 HydrophobicContact CD1-CG1 4.3Å; I237-V246 HydrophobicContact CD1-CG2 3.74Å; I237-V246 HydrophobicContact CG1-CB 4.27Å; I237-V246 HydrophobicContact CG1-CG2 3.86Å
238	K	94.9	Very high	94.3	Very high	164 Å²	164	58.7 Å²	58.7	71%	0.713	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	123.1	174	-170	168.6	-177.7	168.9	0	110.4	E243	K238-E243 HydrophobicContact CB-CG 4.27Å; K238-E243 HydrophobicContact CG-CG 4.12Å
239	S	93.1	Very high	94.6	Very high	52 Å²	52	53.1 Å²	53.1	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	173.1	172.2	-171.7	0	0	0	0	109.9	T241 G242	S239-T241 PolarHBondContact O-N 2.82Å; S239-G242 WeakPolarHBondContact CA-O 3.42Å; S239-G242 WeakPolarHBondContact CB-O 3.31Å; S239-G242 PolarHBondContact N-O 3.45Å; S239-G242 PolarHBondContact O-N 2.88Å
240	I	94.1	Very high	94.8	Very high	175 Å²	175	55.1 Å²	55.1	90%	0.897	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.9	173.3	60.3	170.1	0	0	0	112.4
241	T	93.4	Very high	94.9	Very high	97 Å²	97	52.4 Å²	52.4	60%	0.595	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-12.4	-177.9	51.5	0	0	0	0	113.5	S239 Y244	S239-T241 PolarHBondContact O-N 2.82Å; T241-Y244 VanDerWaalsContact OG1-CE2 3.28Å; T241-Y244 WeakPolarHBondContact OG1-CE2 3.38Å; T241-Y244 PolarHBondContact OG1-OH 2.9Å
242	G	94.4	Very high	95	Very high	25 Å²	25	52.3 Å²	52.3	26%	0.258	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	147.4	-175.8	-176.4	0	0	0	0	0	113.5	S239 Y244	S239-G242 WeakPolarHBondContact CA-O 3.42Å; S239-G242 WeakPolarHBondContact CB-O 3.31Å; S239-G242 PolarHBondContact N-O 3.45Å; S239-G242 PolarHBondContact O-N 2.88Å; G242-Y244 WeakPolarHBondContact O-CD2 3.15Å; G242-Y244 WeakPolarHBondContact O-CE2 3.4Å
243	E	96.8	Very high	94.9	Very high	91 Å²	91	51.1 Å²	51.1	43%	0.425	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	130.6	175.7	-66.6	-176.1	179.9	0	0	110.5	P197 K198 T236 K238	P197-E243 CarbonylContact C-O 3.44Å; P197-E243 WeakPolarHBondContact CA-O 3.41Å; P197-E243 WeakPolarHBondContact CB-O 3.15Å; K198-E243 WeakPolarHBondContact CB-O 3.11Å; K198-E243 PolarHBondContact N-O 2.6Å; T236-E243 HydrophobicContact CG2-CB 4.02Å; K238-E243 HydrophobicContact CB-CG 4.27Å; K238-E243 HydrophobicContact CG-CG 4.12Å
244	Y	96.7	Very high	95	Very high	11 Å²	11	52.4 Å²	52.4	4%	0.043	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	138.9	-176.1	-66.5	-94.9	0	0	0	110.8	S193 Y194 A195 Y196 T236 I237 T241 G242	S193-Y244 WeakPolarHBondContact O-CD1 3.35Å; Y194-Y244 WeakPolarHBondContact O-CE1 3.31Å; A195-Y244 PolarHBondContact O-OH 3.4Å; Y196-Y244 VanDerWaalsContact C-CE1 3.49Å; Y196-Y244 WeakPolarHBondContact O-CD1 3.44Å; Y196-Y244 VanDerWaalsContact O-CE1 3.27Å; Y196-Y244 WeakPolarHBondContact O-CE1 3.42Å; T236-Y244 CarbonylContact C-O 3.38Å; T236-Y244 WeakPolarHBondContact CA-O 3.31Å; I237-Y244 PolarHBondContact N-O 3.18Å; I237-Y244 PolarHBondContact O-N 2.97Å; T241-Y244 VanDerWaalsContact OG1-CE2 3.28Å; T241-Y244 WeakPolarHBondContact OG1-CE2 3.38Å; T241-Y244 PolarHBondContact OG1-OH 2.9Å; G242-Y244 WeakPolarHBondContact O-CD2 3.15Å; G242-Y244 WeakPolarHBondContact O-CE2 3.4Å
245	V	96.3	Very high	95	Very high	19 Å²	19	49.1 Å²	49.1	12%	0.115	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	124.6	168.9	-178	0	0	0	0	108.6	K198 I202 M247	K198-V245 HydrophobicContact CB-CG2 4.08Å; K198-V245 HydrophobicContact CD-CG2 4.04Å; K198-V245 HydrophobicContact CG-CG2 3.77Å; I202-V245 HydrophobicContact CB-CG2 4.41Å; I202-V245 HydrophobicContact CG2-CG2 4.14Å; V245-M247 HydrophobicContact CG1-SD 4.38Å
246	V	97.1	Very high	94.8	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	123.8	179.3	-179	0	0	0	0	109	R136 K190 E235 I237	R136-V246 VanDerWaalsContact NE-CG2 3.3Å; K190-V246 HydrophobicContact CB-CG1 4.13Å; E235-V246 PolarHBondContact N-O 3.1Å; E235-V246 PolarHBondContact O-N 2.83Å; I237-V246 HydrophobicContact CB-CG2 4.2Å; I237-V246 HydrophobicContact CD1-CB 4.08Å; I237-V246 HydrophobicContact CD1-CG1 4.3Å; I237-V246 HydrophobicContact CD1-CG2 3.74Å; I237-V246 HydrophobicContact CG1-CB 4.27Å; I237-V246 HydrophobicContact CG1-CG2 3.86Å
247	M	96.4	Very high	94.6	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	131.2	175.4	-56.4	-61.6	-91.7	0	0	108.1	K190 F191 Y203 W205 V245	K190-M247 WeakPolarHBondContact CA-O 3.26Å; F191-M247 HydrophobicContact CD1-CB 4.08Å; F191-M247 HydrophobicContact CD2-CB 3.97Å; F191-M247 HydrophobicContact CD2-CG 4.28Å; F191-M247 HydrophobicContact CE1-CB 3.58Å; F191-M247 HydrophobicContact CE2-CB 3.46Å; F191-M247 VanDerWaalsContact CE2-CB 3.46Å; F191-M247 HydrophobicContact CE2-CG 3.62Å; F191-M247 HydrophobicContact CG-CB 4.27Å; F191-M247 HydrophobicContact CZ-CB 3.25Å; F191-M247 HydrophobicContact CZ-CG 3.81Å; F191-M247 PolarHBondContact N-O 3.46Å; F191-M247 PolarHBondContact O-N 2.87Å; Y203-M247 VanDerWaalsContact CB-CG 3.44Å; Y203-M247 HydrophobicContact CG-CG 4.13Å; W205-M247 VanDerWaalsContact CD1-CE 3.46Å; W205-M247 HydrophobicContact CD2-CE 3.52Å; W205-M247 HydrophobicContact CE3-CE 4.27Å; W205-M247 HydrophobicContact CG-CE 3.65Å; W205-M247 HydrophobicContact CH2-CB 4.5Å; W205-M247 HydrophobicContact CZ2-CB 3.98Å; W205-M247 HydrophobicContact CZ2-CE 3.87Å; V245-M247 HydrophobicContact CG1-SD 4.38Å
248	T	96.3	Very high	94.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.2	-178.6	-57	0	0	0	0	110	P188 L189 K190 S233 Y250	P188-T248 HydrophobicContact CB-CG2 4.05Å; L189-T248 WeakPolarHBondContact O-CA 3.36Å; K190-T248 HydrophobicContact CG-CG2 3.96Å; S233-T248 PolarHBondContact N-O 3.11Å; S233-T248 PolarHBondContact O-N 2.99Å; S233-T248 VanDerWaalsContact O-O 3.06Å; T248-Y250 HydrophobicContact CG2-CD2 3.9Å; T248-Y250 HydrophobicContact CG2-CE1 4.25Å; T248-Y250 HydrophobicContact CG2-CE2 3.43Å; T248-Y250 VanDerWaalsContact CG2-CE2 3.43Å; T248-Y250 HydrophobicContact CG2-CG 4.46Å
249	V	96.4	Very high	94.3	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	124.2	169	-175.4	0	0	0	0	107.9	I79 P188 L189 W205 V213 Q230 T231 V232 F251	I79-V249 HydrophobicContact CD1-CG2 4.25Å; P188-V249 CarbonylContact C-O 3.54Å; P188-V249 VanDerWaalsContact CA-O 3.28Å; P188-V249 WeakPolarHBondContact CA-O 3.27Å; L189-V249 HydrophobicContact CB-CB 4.33Å; L189-V249 PolarHBondContact N-O 2.96Å; L189-V249 PolarHBondContact O-N 3.48Å; W205-V249 HydrophobicContact CH2-CG2 3.53Å; W205-V249 HydrophobicContact CZ2-CG2 3.96Å; V213-V249 HydrophobicContact CG1-CG1 4.03Å; V213-V249 HydrophobicContact CG2-CG1 4.09Å; V213-V249 HydrophobicContact CG2-CG2 3.73Å; Q230-V249 HydrophobicContact CB-CG1 4.44Å; T231-V249 CarbonylContact O-C 3.58Å; T231-V249 WeakPolarHBondContact O-CA 3.34Å; V232-V249 HydrophobicContact CG2-CG1 4.34Å; V232-V249 HydrophobicContact CG2-CG2 4.44Å; V249-F251 HydrophobicContact CB-CE2 4.34Å; V249-F251 HydrophobicContact CB-CZ 4.47Å; V249-F251 HydrophobicContact CG1-CD2 4.44Å; V249-F251 HydrophobicContact CG1-CE1 4.04Å; V249-F251 HydrophobicContact CG1-CE2 3.93Å; V249-F251 HydrophobicContact CG1-CZ 3.71Å
250	Y	95.7	Very high	94.2	Very high	62 Å²	62	43.4 Å²	43.4	24%	0.243	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	121.3	173.1	-67.7	-85.5	0	0	0	109.4	A186 P188 Q230 T231 T248	A186-Y250 HydrophobicContact CB-CD1 4.19Å; P188-Y250 HydrophobicContact CB-CD1 4.03Å; P188-Y250 HydrophobicContact CB-CE1 3.89Å; Q230-Y250 CarbonylContact C-O 3.57Å; Q230-Y250 WeakPolarHBondContact CA-O 3.04Å; T231-Y250 PolarHBondContact N-O 2.04Å; T231-Y250 PolarHBondContact O-N 2.73Å; T231-Y250 WeakPolarHBondContact OG1-CB 3.25Å; T248-Y250 HydrophobicContact CG2-CD2 3.9Å; T248-Y250 HydrophobicContact CG2-CE1 4.25Å; T248-Y250 HydrophobicContact CG2-CE2 3.43Å; T248-Y250 VanDerWaalsContact CG2-CE2 3.43Å; T248-Y250 HydrophobicContact CG2-CG 4.46Å
251	F	94.9	Very high	94.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	119.3	170.8	-63	-76.1	0	0	0	109.3	V81 F84 Y94 M96 A186 C187 L189 V213 V215 L227 Q230 V249 L253	V81-F251 HydrophobicContact CG2-CE1 4.25Å; V81-F251 HydrophobicContact CG2-CZ 4.2Å; F84-F251 HydrophobicContact CE2-CB 3.96Å; F84-F251 AromaticContact CE2-CD1 3.94Å; F84-F251 HydrophobicContact CE2-CD1 3.94Å; F84-F251 HydrophobicContact CE2-CD2 4.06Å; F84-F251 HydrophobicContact CE2-CE1 4.45Å; F84-F251 AromaticContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CE2-CG 3.72Å; F84-F251 HydrophobicContact CZ-CB 4.22Å; F84-F251 HydrophobicContact CZ-CG 4.36Å; Y94-F251 HydrophobicContact CE2-CD2 4.08Å; Y94-F251 HydrophobicContact CE2-CE2 4.44Å; M96-F251 HydrophobicContact CE-CE2 4.16Å; M96-F251 HydrophobicContact SD-CE2 3.85Å; M96-F251 HydrophobicContact SD-CZ 4.12Å; A186-F251 CarbonylContact C-O 3.56Å; A186-F251 WeakPolarHBondContact CA-O 3.36Å; C187-F251 PolarHBondContact N-O 3.39Å; C187-F251 PolarHBondContact O-N 3.41Å; L189-F251 HydrophobicContact CB-CE2 4.07Å; L189-F251 HydrophobicContact CD2-CE2 4.46Å; V213-F251 HydrophobicContact CG1-CE1 4.38Å; V215-F251 HydrophobicContact CG2-CE1 4.24Å; L227-F251 HydrophobicContact CD1-CB 4.02Å; L227-F251 HydrophobicContact CD1-CD1 4.21Å; Q230-F251 HydrophobicContact CB-CD1 4.02Å; Q230-F251 HydrophobicContact CB-CE1 4.25Å; V249-F251 HydrophobicContact CB-CE2 4.34Å; V249-F251 HydrophobicContact CB-CZ 4.47Å; V249-F251 HydrophobicContact CG1-CD2 4.44Å; V249-F251 HydrophobicContact CG1-CE1 4.04Å; V249-F251 HydrophobicContact CG1-CE2 3.93Å; V249-F251 HydrophobicContact CG1-CZ 3.71Å; F251-L253 PolarHBondContact O-N 2.81Å
252	H	94.6	Very high	94.1	Very high	61 Å²	61	38.9 Å²	38.9	28%	0.282	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	106.1	-179.7	-61.5	-71.2	0	0	0	109.7	H185 I228 G229 T231	H185-H252 WeakPolarHBondContact O-CA 3.26Å; I228-H252 HydrophobicContact CB-CB 4.4Å; I228-H252 PolarHBondContact N-O 2.97Å; G229-H252 WeakPolarHBondContact O-CB 3.06Å; G229-H252 PolarHBondContact O-N 3.3Å; T231-H252 VanDerWaalsContact CG2-NE2 3.29Å; T231-H252 WeakPolarHBondContact CG2-NE2 3.45Å; T231-H252 PolarHBondContact OG1-NE2 2.75Å
253	L	93.6	Very high	94	Very high	3 Å²	3	42.4 Å²	42.4	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	136.2	-179.7	-58.7	177	0	0	0	109.8	F84 V87 G184 H185 C187 L222 Y225 D226 L227 F251	F84-L253 HydrophobicContact CE1-CD1 4.22Å; F84-L253 HydrophobicContact CE1-CD2 4.2Å; F84-L253 HydrophobicContact CZ-CD1 4.22Å; F84-L253 HydrophobicContact CZ-CD2 4.09Å; V87-L253 HydrophobicContact CG2-CD1 3.92Å; G184-L253 CarbonylContact C-O 3.54Å; G184-L253 WeakPolarHBondContact CA-O 3.46Å; H185-L253 PolarHBondContact N-O 3.32Å; H185-L253 PolarHBondContact O-N 3.46Å; C187-L253 HydrophobicContact CB-CD1 4.45Å; L222-L253 HydrophobicContact CD1-CD2 3.83Å; Y225-L253 HydrophobicContact CD1-CB 3.93Å; Y225-L253 HydrophobicContact CG-CB 4.42Å; D226-L253 WeakPolarHBondContact O-CA 3.35Å; L227-L253 HydrophobicContact CB-CD2 4.27Å; L227-L253 HydrophobicContact CD1-CD2 3.76Å; F251-L253 PolarHBondContact O-N 2.81Å
254	K	92.4	Very high	93.8	Very high	68 Å²	68	38.5 Å²	38.5	30%	0.296	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	133.9	172.4	-177.3	165.2	-173.3	151.2	0	110.1	Y225 D226 I228 D549	Y225-K254 CarbonylContact C-O 3.52Å; Y225-K254 VanDerWaalsContact CA-O 3.23Å; Y225-K254 WeakPolarHBondContact CA-O 3.43Å; D226-K254 PolarHBondContact N-O 2.99Å; D226-K254 PolarHBondContact O-N 2.92Å; I228-K254 HydrophobicContact CD1-CB 3.86Å; I228-K254 HydrophobicContact CD1-CD 4.41Å; I228-K254 HydrophobicContact CG1-CB 3.7Å; K254-D549 WeakPolarHBondContact CE-OD1 3.41Å; K254-D549 IonicContact NZ-OD1 3.6Å; K254-D549 PolarHBondContact NZ-OD1 3.24Å; K254-D549 IonicContact NZ-OD2 3.45Å
255	R	92.7	Very high	93.7	Very high	9 Å²	9	38 Å²	38	3%	0.034	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	143.9	-176.6	-167.7	-178.2	-57.1	-87	3.9	112.5	D89 F180 P181 D183 Y225 F260	D89-R255 IonicContact OD1-NH1 4Å; D89-R255 IonicContact OD1-NH2 3.87Å; D89-R255 IonicContact OD2-CZ 3.41Å; D89-R255 IonicContact OD2-NH1 2.95Å; D89-R255 PolarHBondContact OD2-NH1 3.45Å; D89-R255 IonicContact OD2-NH2 3.23Å; D89-R255 PolarHBondContact OD2-NH2 3.33Å; F180-R255 VanDerWaalsContact CE2-CZ 3.44Å; P181-R255 WeakPolarHBondContact O-CD 3.4Å; D183-R255 PolarHBondContact O-N 3.47Å; D183-R255 WeakPolarHBondContact OD1-CB 3.43Å; D183-R255 IonicContact OD1-CZ 3.67Å; D183-R255 IonicContact OD1-NE 2.7Å; D183-R255 PolarHBondContact OD1-NE 2.57Å; D183-R255 IonicContact OD1-NH2 3.61Å; D183-R255 IonicContact OD2-NE 3.97Å; D183-R255 IonicContact OD2-NH2 3.51Å; D183-R255 PolarHBondContact OD2-NH2 3.37Å; Y225-R255 HydrophobicContact CD1-CB 4.08Å; Y225-R255 HydrophobicContact CE1-CB 3.95Å; Y225-R255 HydrophobicContact CE1-CG 4.33Å; Y225-R255 PolarHBondContact OH-NH1 3.01Å; Y225-R255 VanDerWaalsContact OH-NH1 3.17Å; Y225-R255 PolarHBondContact OH-NH2 2.93Å; R255-F260 HydrophobicContact CG-CE2 4.36Å
256	K	91.8	Very high	93.6	Very high	75 Å²	75	41.2 Å²	41.2	33%	0.326	20%	0.202	S	C	.	.			trans	-80.5	123.4	171.5	-69.9	178.3	178.8	168.7	0	111.2	L222 Q224 Y225 D226	L222-K256 PolarHBondContact O-NZ 3.42Å; Q224-K256 PolarHBondContact O-N 3.45Å; Y225-K256 WeakPolarHBondContact O-CE 3.3Å; D226-K256 WeakPolarHBondContact OD1-CE 3.35Å; D226-K256 IonicContact OD1-NZ 2.76Å; D226-K256 PolarHBondContact OD1-NZ 3.44Å; D226-K256 VanDerWaalsContact OD1-NZ 3.08Å; D226-K256 WeakPolarHBondContact OD2-CE 3.41Å; D226-K256 WeakPolarHBondContact OD2-CG 3.32Å
257	M	90.7	Very high	93.5	Very high	35 Å²	35	43 Å²	43	17%	0.172	21%	0.214	C	C	.	.			trans	-82.5	-20.4	-175.6	-72.2	-64.9	-69.7	0	0	115	P181 M182 Y259 F260 M261 W542	P181-M257 HydrophobicContact CB-SD 3.84Å; P181-M257 HydrophobicContact CG-CE 3.88Å; P181-M257 HydrophobicContact CG-SD 3.72Å; M182-M257 HydrophobicContact CB-SD 4.36Å; M182-M257 HydrophobicContact CE-CE 4.43Å; M182-M257 HydrophobicContact CG-CE 3.18Å; M182-M257 HydrophobicContact CG-CG 4.42Å; M182-M257 HydrophobicContact CG-SD 3.48Å; M182-M257 WeakPolarHBondContact CG-SD 3.36Å; M182-M257 HydrophobicContact SD-CE 3.78Å; M257-Y259 VanDerWaalsContact C-N 3.34Å; M257-Y259 PolarHBondContact O-N 2.94Å; M257-F260 PolarHBondContact O-N 3.05Å; M257-M261 HydrophobicContact CE-CE 4.32Å; M257-M261 WeakPolarHBondContact O-CG 3.4Å; M257-M261 PolarHBondContact O-N 3.34Å; M257-M261 VanDerWaalsContact O-N 3.1Å; M257-W542 HydrophobicContact CE-CZ3 4.45Å
258	G	90.8	Very high	93.5	Very high	46 Å²	46	43 Å²	43	47%	0.474	21%	0.214	S	C	.	.	H	α-helix	trans	-58.6	-39.2	-168.1	0	0	0	0	0	114.6	M261 I262	G258-M261 PolarHBondContact O-N 3.14Å; G258-I262 PolarHBondContact O-N 2.84Å
259	Y	91.7	Very high	93.5	Very high	113 Å²	113	44.7 Å²	44.7	44%	0.443	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-49.3	178.3	172.9	-97.6	0	0	0	112.1	M257 M261 I262 Q263	M257-Y259 VanDerWaalsContact C-N 3.34Å; M257-Y259 PolarHBondContact O-N 2.94Å; Y259-M261 VanDerWaalsContact C-N 3.31Å; Y259-M261 PolarHBondContact O-N 2.88Å; Y259-I262 PolarHBondContact O-N 2.78Å; Y259-Q263 HydrophobicContact CD2-CG 4.15Å; Y259-Q263 HydrophobicContact CE2-CG 3.88Å; Y259-Q263 WeakPolarHBondContact O-CB 3.42Å; Y259-Q263 PolarHBondContact O-N 3.37Å; Y259-Q263 PolarHBondContact OH-OE1 3.16Å
260	F	92.4	Very high	93.4	Very high	21 Å²	21	49.3 Å²	49.3	9%	0.092	25%	0.245	C	C	.	.	H	α-helix	trans	-67.3	-32.5	-178.7	-61.7	-76.9	0	0	0	112.4	F180 P181 R255 M257 T264 Y265 M320	F180-F260 HydrophobicContact CE1-CD1 4.22Å; F180-F260 AromaticContact CE1-CE1 3.79Å; F180-F260 HydrophobicContact CE1-CE1 3.79Å; F180-F260 HydrophobicContact CE1-CZ 4.21Å; F180-F260 HydrophobicContact CE2-CE1 4.37Å; F180-F260 AromaticContact CE2-CZ 3.99Å; F180-F260 HydrophobicContact CE2-CZ 3.99Å; F180-F260 HydrophobicContact CZ-CD1 4.17Å; F180-F260 AromaticContact CZ-CE1 3.34Å; F180-F260 HydrophobicContact CZ-CE1 3.34Å; F180-F260 HydrophobicContact CZ-CE2 4.24Å; F180-F260 AromaticContact CZ-CZ 3.38Å; F180-F260 HydrophobicContact CZ-CZ 3.38Å; P181-F260 HydrophobicContact CB-CB 4.39Å; P181-F260 HydrophobicContact CB-CD1 4.36Å; P181-F260 HydrophobicContact CB-CD2 3.51Å; P181-F260 HydrophobicContact CB-CE2 3.82Å; P181-F260 HydrophobicContact CB-CG 3.82Å; P181-F260 HydrophobicContact CB-CZ 4.36Å; P181-F260 HydrophobicContact CG-CB 3.76Å; P181-F260 HydrophobicContact CG-CD1 4.29Å; P181-F260 HydrophobicContact CG-CD2 3.86Å; P181-F260 HydrophobicContact CG-CG 3.69Å; R255-F260 HydrophobicContact CG-CE2 4.36Å; M257-F260 PolarHBondContact O-N 3.05Å; F260-T264 WeakPolarHBondContact O-CA 3.49Å; F260-T264 WeakPolarHBondContact O-CB 3.41Å; F260-T264 PolarHBondContact O-N 3.26Å; F260-Y265 HydrophobicContact CB-CD2 4.37Å; F260-Y265 HydrophobicContact CB-CE2 4.24Å; F260-Y265 WeakPolarHBondContact O-CD2 3.42Å; F260-Y265 PolarHBondContact O-N 2.76Å; F260-M320 HydrophobicContact CD1-CE 4.32Å
261	M	92.3	Very high	93.4	Very high	56 Å²	56	46.8 Å²	46.8	28%	0.276	24%	0.236	S	C	.	.	I	π-helix	trans	-58.8	-51.3	174	-74.4	-67.8	-165.7	0	0	111.6	M257 G258 Y259 Y265 I266 W542	M257-M261 HydrophobicContact CE-CE 4.32Å; M257-M261 WeakPolarHBondContact O-CG 3.4Å; M257-M261 PolarHBondContact O-N 3.34Å; M257-M261 VanDerWaalsContact O-N 3.1Å; G258-M261 PolarHBondContact O-N 3.14Å; Y259-M261 VanDerWaalsContact C-N 3.31Å; Y259-M261 PolarHBondContact O-N 2.88Å; M261-Y265 PolarHBondContact O-N 2.97Å; M261-Y265 HydrophobicContact SD-CD2 4.19Å; M261-Y265 HydrophobicContact SD-CG 4.39Å; M261-I266 WeakPolarHBondContact O-CB 3.26Å; M261-I266 VanDerWaalsContact O-CG1 3.29Å; M261-I266 WeakPolarHBondContact O-CG1 3.31Å; M261-I266 PolarHBondContact O-N 3.38Å; M261-W542 HydrophobicContact CE-CE3 4.12Å; M261-W542 HydrophobicContact CE-CH2 3.21Å; M261-W542 HydrophobicContact CE-CZ2 4.1Å; M261-W542 HydrophobicContact CE-CZ3 3.22Å; M261-W542 HydrophobicContact SD-CH2 3.42Å; M261-W542 WeakPolarHBondContact SD-CH2 3.3Å; M261-W542 HydrophobicContact SD-CZ2 4.03Å; M261-W542 HydrophobicContact SD-CZ3 4.1Å
262	I	92.8	Very high	93.4	Very high	120 Å²	120	46.8 Å²	46.8	62%	0.615	24%	0.236	S	C	*	.	I	π-helix	trans	-76.2	-40	-175	-62	170.6	0	0	0	111.6	G258 Y259 P267	G258-I262 PolarHBondContact O-N 2.84Å; Y259-I262 PolarHBondContact O-N 2.78Å; I262-P267 WeakPolarHBondContact O-CD 3.42Å; I262-P267 WeakPolarHBondContact O-CG 3.42Å
263	Q	90.8	Very high	93.4	Very high	99 Å²	99	47.4 Å²	47.4	46%	0.463	24%	0.241	S	C	.	.	I	π-helix	trans	-87	-26.1	-174.2	-65.2	-149.1	-0.7	0	0	114.5	Y259	Y259-Q263 HydrophobicContact CD2-CG 4.15Å; Y259-Q263 HydrophobicContact CE2-CG 3.88Å; Y259-Q263 WeakPolarHBondContact O-CB 3.42Å; Y259-Q263 PolarHBondContact O-N 3.37Å; Y259-Q263 PolarHBondContact OH-OE1 3.16Å
264	T	92.8	Very high	93.3	Very high	10 Å²	10	51.5 Å²	51.5	6%	0.061	26%	0.262	C	S	.	.	I	π-helix	trans	-120.2	-61.7	-176.1	-51	0	0	0	0	112.3	F260 P267 C268 A307 M320 I324	F260-T264 WeakPolarHBondContact O-CA 3.49Å; F260-T264 WeakPolarHBondContact O-CB 3.41Å; F260-T264 PolarHBondContact O-N 3.26Å; T264-P267 WeakPolarHBondContact O-CD 3.49Å; T264-C268 WeakPolarHBondContact O-CB 3.13Å; T264-C268 PolarHBondContact O-N 2.92Å; T264-C268 PolarHBondContact O-SG 3.38Å; T264-A307 HydrophobicContact CG2-CB 4.35Å; T264-M320 HydrophobicContact CG2-CE 3.28Å; T264-M320 WeakPolarHBondContact OG1-CE 3.23Å; T264-I324 HydrophobicContact CG2-CD1 4.05Å; T264-I324 HydrophobicContact CG2-CG1 4.39Å
265	Y	94.4	Very high	93.4	Very high	1 Å²	1	48.3 Å²	48.3	0%	0.004	25%	0.249	C	C	.	.	I	π-helix	trans	-64.3	-49.6	-169.2	-72.5	-81.1	0	0	0	112.1	P181 F260 M261 C268 I269 F323 Y541 W542	P181-Y265 WeakPolarHBondContact CD-OH 3.48Å; P181-Y265 HydrophobicContact CG-CE2 4.09Å; F260-Y265 HydrophobicContact CB-CD2 4.37Å; F260-Y265 HydrophobicContact CB-CE2 4.24Å; F260-Y265 WeakPolarHBondContact O-CD2 3.42Å; F260-Y265 PolarHBondContact O-N 2.76Å; M261-Y265 PolarHBondContact O-N 2.97Å; M261-Y265 HydrophobicContact SD-CD2 4.19Å; M261-Y265 HydrophobicContact SD-CG 4.39Å; Y265-C268 PolarHBondContact O-N 2.86Å; Y265-I269 WeakPolarHBondContact O-CB 3.32Å; Y265-I269 VanDerWaalsContact O-CG1 3.25Å; Y265-I269 WeakPolarHBondContact O-CG1 3.25Å; Y265-I269 PolarHBondContact O-N 2.79Å; Y265-F323 AromaticContact CD1-CD1 3.57Å; Y265-F323 HydrophobicContact CD1-CD1 3.57Å; Y265-F323 HydrophobicContact CD1-CD2 4.1Å; Y265-F323 AromaticContact CD1-CE1 3.49Å; Y265-F323 HydrophobicContact CD1-CE1 3.49Å; Y265-F323 VanDerWaalsContact CD1-CE1 3.49Å; Y265-F323 HydrophobicContact CD1-CE2 4.03Å; Y265-F323 AromaticContact CD1-CG 3.88Å; Y265-F323 HydrophobicContact CD1-CG 3.88Å; Y265-F323 AromaticContact CD1-CZ 3.74Å; Y265-F323 HydrophobicContact CD1-CZ 3.74Å; Y265-F323 HydrophobicContact CE1-CB 4.05Å; Y265-F323 AromaticContact CE1-CD1 3.68Å; Y265-F323 HydrophobicContact CE1-CD1 3.68Å; Y265-F323 AromaticContact CE1-CD2 3.92Å; Y265-F323 HydrophobicContact CE1-CD2 3.92Å; Y265-F323 HydrophobicContact CE1-CE1 4.09Å; Y265-F323 HydrophobicContact CE1-CE2 4.3Å; Y265-F323 AromaticContact CE1-CG 3.59Å; Y265-F323 HydrophobicContact CE1-CG 3.59Å; Y265-F323 HydrophobicContact CE1-CZ 4.38Å; Y265-F323 HydrophobicContact CG-CE1 4.45Å; Y265-Y541 AromaticContact CE1-CE1 3.69Å; Y265-Y541 HydrophobicContact CE1-CE1 3.69Å; Y265-Y541 AromaticContact CE1-CZ 3.94Å; Y265-Y541 PolarHBondContact OH-OH 2.97Å; Y265-W542 AromaticContact CD1-CH2 3.68Å; Y265-W542 HydrophobicContact CD1-CH2 3.68Å; Y265-W542 AromaticContact CD1-CZ2 3.61Å; Y265-W542 HydrophobicContact CD1-CZ2 3.61Å; Y265-W542 HydrophobicContact CD2-CH2 4.04Å; Y265-W542 AromaticContact CE1-CH2 3.84Å; Y265-W542 HydrophobicContact CE1-CH2 3.84Å; Y265-W542 HydrophobicContact CE1-CZ2 4.06Å; Y265-W542 HydrophobicContact CE2-CH2 4.19Å; Y265-W542 AromaticContact CG-CH2 3.8Å; Y265-W542 HydrophobicContact CG-CH2 3.8Å; Y265-W542 AromaticContact CG-CZ2 3.93Å; Y265-W542 HydrophobicContact CG-CZ2 3.93Å
266	I	94.9	Very high	93.3	Very high	86 Å²	86	48.8 Å²	48.8	44%	0.441	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-51.2	179.5	-69.8	170.1	0	0	0	111.2	M261 C268 I269 M270	M261-I266 WeakPolarHBondContact O-CB 3.26Å; M261-I266 VanDerWaalsContact O-CG1 3.29Å; M261-I266 WeakPolarHBondContact O-CG1 3.31Å; M261-I266 PolarHBondContact O-N 3.38Å; I266-C268 VanDerWaalsContact C-N 3.34Å; I266-C268 PolarHBondContact O-N 3.19Å; I266-I269 PolarHBondContact O-N 2.95Å; I266-M270 HydrophobicContact CG2-CG 4.29Å; I266-M270 WeakPolarHBondContact O-CB 3.37Å; I266-M270 VanDerWaalsContact O-CG 3.25Å; I266-M270 WeakPolarHBondContact O-CG 3.37Å; I266-M270 PolarHBondContact O-N 2.7Å
267	P	95.9	Very high	93.2	Very high	38 Å²	38	48.4 Å²	48.4	25%	0.247	26%	0.255	C	S	.	.	H	α-helix	trans	-59.3	-38.2	175.9	-29	37	0	0	0	114.2	I262 T264 M270 T271 L303	I262-P267 WeakPolarHBondContact O-CD 3.42Å; I262-P267 WeakPolarHBondContact O-CG 3.42Å; T264-P267 WeakPolarHBondContact O-CD 3.49Å; P267-M270 PolarHBondContact O-N 2.57Å; P267-T271 WeakPolarHBondContact O-CB 3.46Å; P267-T271 PolarHBondContact O-N 3.15Å; P267-T271 PolarHBondContact O-OG1 3.23Å; P267-L303 HydrophobicContact CB-CD1 3.88Å; P267-L303 HydrophobicContact CB-CD2 3.92Å
268	C	95.7	Very high	93.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-65.9	-46.5	176.6	-70.5	0	0	0	0	111.4	T264 Y265 I266 M270 T271 V272 M300 F323	T264-C268 WeakPolarHBondContact O-CB 3.13Å; T264-C268 PolarHBondContact O-N 2.92Å; T264-C268 PolarHBondContact O-SG 3.38Å; Y265-C268 PolarHBondContact O-N 2.86Å; I266-C268 VanDerWaalsContact C-N 3.34Å; I266-C268 PolarHBondContact O-N 3.19Å; C268-M270 VanDerWaalsContact C-N 3.34Å; C268-M270 PolarHBondContact O-N 2.79Å; C268-T271 PolarHBondContact O-N 3.09Å; C268-V272 WeakPolarHBondContact O-CG2 3.49Å; C268-V272 PolarHBondContact O-N 3.24Å; C268-M300 HydrophobicContact CB-CE 4.27Å; C268-F323 HydrophobicContact CB-CE1 3.93Å
269	I	95.8	Very high	93	Very high	35 Å²	35	44.9 Å²	44.9	18%	0.179	23%	0.226	C	C	.	.	H	α-helix	trans	-59.2	-46.6	176	-70.2	167.4	0	0	0	110.3	Y265 I266 T271 V272 I273 F323 F534	Y265-I269 WeakPolarHBondContact O-CB 3.32Å; Y265-I269 VanDerWaalsContact O-CG1 3.25Å; Y265-I269 WeakPolarHBondContact O-CG1 3.25Å; Y265-I269 PolarHBondContact O-N 2.79Å; I266-I269 PolarHBondContact O-N 2.95Å; I269-T271 VanDerWaalsContact C-N 3.33Å; I269-T271 PolarHBondContact O-N 2.76Å; I269-V272 PolarHBondContact O-N 3.5Å; I269-I273 HydrophobicContact CG2-CD1 3.82Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.35Å; I269-I273 PolarHBondContact O-N 3.17Å; I269-F323 HydrophobicContact CD1-CZ 4.16Å; I269-F323 HydrophobicContact CG1-CE1 4.5Å; I269-F323 HydrophobicContact CG1-CZ 3.82Å; I269-F534 HydrophobicContact CB-CZ 4.48Å; I269-F534 HydrophobicContact CG1-CE1 4.45Å; I269-F534 HydrophobicContact CG1-CZ 4.11Å; I269-F534 HydrophobicContact CG2-CE1 4.15Å
270	M	94.6	Very high	92.8	Very high	97 Å²	97	47.7 Å²	47.7	48%	0.478	24%	0.236	S	C	.	.	H	α-helix	trans	-63.2	-39.2	178	-69.1	-61.9	137.2	0	0	111.9	I266 P267 C268 I273 L274	I266-M270 HydrophobicContact CG2-CG 4.29Å; I266-M270 WeakPolarHBondContact O-CB 3.37Å; I266-M270 VanDerWaalsContact O-CG 3.25Å; I266-M270 WeakPolarHBondContact O-CG 3.37Å; I266-M270 PolarHBondContact O-N 2.7Å; P267-M270 PolarHBondContact O-N 2.57Å; C268-M270 VanDerWaalsContact C-N 3.34Å; C268-M270 PolarHBondContact O-N 2.79Å; M270-I273 HydrophobicContact CE-CD1 4.19Å; M270-I273 PolarHBondContact O-N 3.44Å; M270-I273 HydrophobicContact SD-CD1 4.42Å; M270-L274 WeakPolarHBondContact O-CB 3.41Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.27Å; M270-L274 PolarHBondContact O-N 3.46Å
271	T	95.2	Very high	92.6	Very high	9 Å²	9	49 Å²	49	6%	0.055	24%	0.243	C	C	.	.	H	α-helix	trans	-64.6	-40.5	176.6	-57.1	0	0	0	0	111.7	P267 C268 I269 L274 S275 T299 M300 V331	P267-T271 WeakPolarHBondContact O-CB 3.46Å; P267-T271 PolarHBondContact O-N 3.15Å; P267-T271 PolarHBondContact O-OG1 3.23Å; C268-T271 PolarHBondContact O-N 3.09Å; I269-T271 VanDerWaalsContact C-N 3.33Å; I269-T271 PolarHBondContact O-N 2.76Å; T271-L274 PolarHBondContact O-N 3.4Å; T271-S275 PolarHBondContact O-N 3.1Å; T271-T299 HydrophobicContact CG2-CG2 4.14Å; T271-M300 HydrophobicContact CG2-CB 4.46Å; T271-V331 HydrophobicContact CG2-CG2 4.44Å
272	V	95.9	Very high	92.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.5	-45.1	175	174.1	0	0	0	0	110.8	C268 I269 L274 S275 Q276 C327 F330 V331 F534	C268-V272 WeakPolarHBondContact O-CG2 3.49Å; C268-V272 PolarHBondContact O-N 3.24Å; I269-V272 PolarHBondContact O-N 3.5Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.3Å; V272-S275 PolarHBondContact O-N 3.32Å; V272-S275 PolarHBondContact O-OG 2.98Å; V272-Q276 WeakPolarHBondContact O-CG 3.19Å; V272-Q276 PolarHBondContact O-N 2.93Å; V272-C327 HydrophobicContact CG2-CB 3.71Å; V272-F330 HydrophobicContact CG1-CB 3.99Å; V272-F330 HydrophobicContact CG1-CG 4.5Å; V272-V331 HydrophobicContact CG2-CG2 4.01Å; V272-F534 HydrophobicContact CB-CE1 4.06Å; V272-F534 HydrophobicContact CB-CE2 4.17Å; V272-F534 HydrophobicContact CB-CZ 3.83Å; V272-F534 HydrophobicContact CG1-CD1 3.87Å; V272-F534 HydrophobicContact CG1-CD2 3.83Å; V272-F534 HydrophobicContact CG1-CE1 3.84Å; V272-F534 HydrophobicContact CG1-CE2 3.81Å; V272-F534 HydrophobicContact CG1-CG 3.85Å; V272-F534 HydrophobicContact CG1-CZ 3.81Å; V272-F534 HydrophobicContact CG2-CE2 4.08Å; V272-F534 HydrophobicContact CG2-CZ 4.04Å
273	I	93.9	Very high	91.7	Very high	75 Å²	75	48 Å²	48	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-44.8	175.7	-67.8	167.1	0	0	0	110.3	I269 M270 S275 Q276 V277	I269-I273 HydrophobicContact CG2-CD1 3.82Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.35Å; I269-I273 PolarHBondContact O-N 3.17Å; M270-I273 HydrophobicContact CE-CD1 4.19Å; M270-I273 PolarHBondContact O-N 3.44Å; M270-I273 HydrophobicContact SD-CD1 4.42Å; I273-S275 VanDerWaalsContact C-N 3.35Å; I273-S275 PolarHBondContact O-N 3.26Å; I273-Q276 WeakPolarHBondContact O-CB 3.33Å; I273-Q276 PolarHBondContact O-N 3.04Å; I273-Q276 VanDerWaalsContact O-N 3.13Å; I273-V277 PolarHBondContact O-N 2.93Å
274	L	92.4	Very high	91.3	Very high	89 Å²	89	50.1 Å²	50.1	47%	0.466	25%	0.248	S	C	.	.	H	α-helix	trans	-54.9	-52.6	175.2	-76.5	172.7	0	0	0	109.6	M270 T271 V272 Q276 V277 F292 T296	M270-L274 WeakPolarHBondContact O-CB 3.41Å; M270-L274 VanDerWaalsContact O-CG 3.23Å; M270-L274 WeakPolarHBondContact O-CG 3.27Å; M270-L274 PolarHBondContact O-N 3.46Å; T271-L274 PolarHBondContact O-N 3.4Å; V272-L274 VanDerWaalsContact C-N 3.32Å; V272-L274 PolarHBondContact O-N 3.3Å; L274-Q276 PolarHBondContact O-N 3.45Å; L274-V277 WeakPolarHBondContact O-CB 3.28Å; L274-V277 WeakPolarHBondContact O-CG2 3.47Å; L274-V277 PolarHBondContact O-N 2.95Å; L274-F292 VanDerWaalsContact C-CE1 3.49Å; L274-F292 VanDerWaalsContact C-CZ 3.48Å; L274-F292 HydrophobicContact CB-CZ 4.06Å; L274-F292 WeakPolarHBondContact O-CE1 3.27Å; L274-F292 WeakPolarHBondContact O-CZ 3.11Å; L274-T296 HydrophobicContact CB-CG2 4.47Å
275	S	93.7	Very high	91	Very high	1 Å²	1	52 Å²	52	1%	0.007	26%	0.262	C	S	.	.	H	α-helix	trans	-49.9	-33	179.9	78.4	0	0	0	0	114	T271 V272 I273 S278	T271-S275 PolarHBondContact O-N 3.1Å; V272-S275 PolarHBondContact O-N 3.32Å; V272-S275 PolarHBondContact O-OG 2.98Å; I273-S275 VanDerWaalsContact C-N 3.35Å; I273-S275 PolarHBondContact O-N 3.26Å; S275-S278 WeakPolarHBondContact O-CB 3.35Å; S275-S278 PolarHBondContact O-N 3.49Å; S275-S278 PolarHBondContact O-OG 3.23Å
276	Q	90.8	Very high	90.7	Very high	19 Å²	19	54.1 Å²	54.1	9%	0.089	28%	0.275	C	S	.	.	H	α-helix	trans	-77.6	-20.8	179.6	-58.8	168.3	18.6	0	0	113.7	V272 I273 L274 S278 F279 F530	V272-Q276 WeakPolarHBondContact O-CG 3.19Å; V272-Q276 PolarHBondContact O-N 2.93Å; I273-Q276 WeakPolarHBondContact O-CB 3.33Å; I273-Q276 PolarHBondContact O-N 3.04Å; I273-Q276 VanDerWaalsContact O-N 3.13Å; L274-Q276 PolarHBondContact O-N 3.45Å; Q276-S278 PolarHBondContact O-N 3.42Å; Q276-F279 HydrophobicContact CB-CD2 4.08Å; Q276-F279 HydrophobicContact CB-CE2 3.92Å; Q276-F279 HydrophobicContact CG-CE2 4.01Å; Q276-F279 WeakPolarHBondContact O-CB 3.37Å; Q276-F279 VanDerWaalsContact O-CD2 3.22Å; Q276-F279 WeakPolarHBondContact O-CD2 3.4Å; Q276-F279 WeakPolarHBondContact O-CG 3.29Å; Q276-F279 PolarHBondContact O-N 2.77Å; Q276-F279 VanDerWaalsContact O-N 3.14Å; Q276-F530 HydrophobicContact CG-CB 4.25Å
277	V	89.7	Confident	90.6	Very high	67 Å²	67	54.7 Å²	54.7	41%	0.406	29%	0.285	S	S	.	.	H	α-helix	trans	-60.6	-27.7	173.4	-179.9	0	0	0	0	110.8	I273 L274 F279 W280 F292	I273-V277 PolarHBondContact O-N 2.93Å; L274-V277 WeakPolarHBondContact O-CB 3.28Å; L274-V277 WeakPolarHBondContact O-CG2 3.47Å; L274-V277 PolarHBondContact O-N 2.95Å; V277-F279 PolarHBondContact O-N 3.03Å; V277-F279 VanDerWaalsContact O-N 3.14Å; V277-W280 WeakPolarHBondContact O-CB 3.46Å; V277-W280 PolarHBondContact O-N 3.3Å; V277-F292 HydrophobicContact CB-CZ 4.12Å
278	S	88.1	Confident	90.3	Very high	5 Å²	5	55.1 Å²	55.1	4%	0.035	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-58.3	-26.4	176.1	71.5	0	0	0	0	113.9	S275 Q276 W280 I281	S275-S278 WeakPolarHBondContact O-CB 3.35Å; S275-S278 PolarHBondContact O-N 3.49Å; S275-S278 PolarHBondContact O-OG 3.23Å; Q276-S278 PolarHBondContact O-N 3.42Å; S278-W280 PolarHBondContact O-N 3.5Å; S278-I281 WeakPolarHBondContact O-CB 3.38Å; S278-I281 PolarHBondContact O-N 3.34Å
279	F	88.8	Confident	90	Very high	1 Å²	1	55.3 Å²	55.3	0%	0.004	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-70.4	-15.7	177.6	-51.6	-33.6	0	0	0	113.3	Q276 V277 A334 E337 A526 R527 F530	Q276-F279 HydrophobicContact CB-CD2 4.08Å; Q276-F279 HydrophobicContact CB-CE2 3.92Å; Q276-F279 HydrophobicContact CG-CE2 4.01Å; Q276-F279 WeakPolarHBondContact O-CB 3.37Å; Q276-F279 VanDerWaalsContact O-CD2 3.22Å; Q276-F279 WeakPolarHBondContact O-CD2 3.4Å; Q276-F279 WeakPolarHBondContact O-CG 3.29Å; Q276-F279 PolarHBondContact O-N 2.77Å; Q276-F279 VanDerWaalsContact O-N 3.14Å; V277-F279 PolarHBondContact O-N 3.03Å; V277-F279 VanDerWaalsContact O-N 3.14Å; F279-A334 HydrophobicContact CE1-CB 4.08Å; F279-A334 HydrophobicContact CZ-CB 3.96Å; F279-E337 HydrophobicContact CD1-CG 4.41Å; F279-E337 WeakPolarHBondContact CD1-OE2 3.39Å; F279-E337 HydrophobicContact CE1-CB 4.19Å; F279-E337 HydrophobicContact CE1-CG 3.92Å; F279-E337 WeakPolarHBondContact CE1-OE2 3.48Å; F279-A526 HydrophobicContact CD1-CB 4.3Å; F279-A526 HydrophobicContact CD2-CB 4.09Å; F279-A526 HydrophobicContact CE1-CB 4.36Å; F279-A526 HydrophobicContact CE2-CB 4.13Å; F279-A526 HydrophobicContact CG-CB 4.18Å; F279-A526 HydrophobicContact CZ-CB 4.28Å; F279-R527 HydrophobicContact CB-CG 3.91Å; F279-R527 PolarHBondContact O-NE 2.93Å; F279-R527 PolarHBondContact O-NH2 2.9Å; F279-F530 HydrophobicContact CE2-CB 3.84Å; F279-F530 HydrophobicContact CE2-CD1 4.05Å; F279-F530 AromaticContact CE2-CD2 3.97Å; F279-F530 HydrophobicContact CE2-CD2 3.97Å; F279-F530 AromaticContact CE2-CG 3.7Å; F279-F530 HydrophobicContact CE2-CG 3.7Å; F279-F530 AromaticContact CZ-CD1 3.91Å; F279-F530 HydrophobicContact CZ-CD1 3.91Å; F279-F530 HydrophobicContact CZ-CD2 4.04Å; F279-F530 HydrophobicContact CZ-CE1 4.02Å; F279-F530 HydrophobicContact CZ-CE2 4.15Å; F279-F530 AromaticContact CZ-CG 3.92Å; F279-F530 HydrophobicContact CZ-CG 3.92Å; F279-F530 HydrophobicContact CZ-CZ 4.13Å
280	W	87.8	Confident	89.8	Confident	173 Å²	173	55.9 Å²	55.9	66%	0.655	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-90.8	-14.8	176.2	-66.7	86.2	0	0	0	112.6	V277 S278 R527	V277-W280 WeakPolarHBondContact O-CB 3.46Å; V277-W280 PolarHBondContact O-N 3.3Å; S278-W280 PolarHBondContact O-N 3.5Å; W280-R527 HydrophobicContact CZ2-CG 4.44Å
281	I	87.9	Confident	89.7	Confident	48 Å²	48	55.6 Å²	55.6	25%	0.246	30%	0.301	C	S	.	.	S	Bend	trans	-76.3	137.4	177.8	-59	176.7	0	0	0	109.4	S278 K283 A288 R289	S278-I281 WeakPolarHBondContact O-CB 3.38Å; S278-I281 PolarHBondContact O-N 3.34Å; I281-K283 PolarHBondContact O-N 3.08Å; I281-A288 HydrophobicContact CG2-CB 4.45Å; I281-R289 HydrophobicContact CB-CG 4.03Å; I281-R289 HydrophobicContact CG2-CG 3.88Å
282	N	85.5	Confident	89.5	Confident	117 Å²	117	57.8 Å²	57.8	63%	0.626	31%	0.31	S	S	*	.			trans	-54.3	132.7	177.1	-67.3	-31.3	0	0	0	110.8	E284 S285	N282-E284 PolarHBondContact O-N 2.97Å; N282-S285 PolarHBondContact O-N 3.28Å
283	K	81.3	Confident	89.3	Confident	39 Å²	39	58.1 Å²	58.1	17%	0.17	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-21.6	179.4	68.7	-171.5	179.9	-161.8	0	114	I281 S285 V341 T345 M516 G518	I281-K283 PolarHBondContact O-N 3.08Å; K283-S285 VanDerWaalsContact C-N 3.31Å; K283-V341 HydrophobicContact CB-CG1 4.04Å; K283-T345 HydrophobicContact CD-CG2 4.41Å; K283-M516 VanDerWaalsContact CE-O 3.3Å; K283-M516 WeakPolarHBondContact CE-O 2.96Å; K283-M516 PolarHBondContact NZ-O 2.93Å; K283-G518 PolarHBondContact NZ-O 3.18Å
284	E	81.5	Confident	89.3	Confident	142 Å²	142	59.3 Å²	59.3	66%	0.664	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.2	-24	178.4	-62.1	176.7	-173.3	0	0	112.1	N282 V286	N282-E284 PolarHBondContact O-N 2.97Å; E284-V286 PolarHBondContact O-N 3.47Å
285	S	88	Confident	89.4	Confident	49 Å²	49	58.5 Å²	58.5	34%	0.343	32%	0.317	S	S	.	.			trans	-84.7	57.1	179	-52.4	0	0	0	0	111.6	N282 K283 P287 A288 R289	N282-S285 PolarHBondContact O-N 3.28Å; K283-S285 VanDerWaalsContact C-N 3.31Å; S285-P287 VanDerWaalsContact C-CD 3.45Å; S285-P287 VanDerWaalsContact C-N 3.35Å; S285-A288 PolarHBondContact O-N 2.9Å; S285-A288 VanDerWaalsContact O-N 3.12Å; S285-R289 PolarHBondContact O-N 3.47Å
286	V	88.2	Confident	89.5	Confident	46 Å²	46	58.9 Å²	58.9	28%	0.279	32%	0.32	S	S	.	.	H	α-helix	trans	-50.6	-45.2	180	-178.4	0	0	0	0	112.5	E284 A288 R289 T290 F338	E284-V286 PolarHBondContact O-N 3.47Å; V286-A288 PolarHBondContact O-N 2.72Å; V286-R289 PolarHBondContact O-N 3.41Å; V286-T290 PolarHBondContact O-N 2.87Å; V286-T290 PolarHBondContact O-OG1 2.88Å; V286-F338 HydrophobicContact CG1-CE2 4.27Å; V286-F338 HydrophobicContact CG1-CZ 3.77Å
287	P	91.3	Very high	89.7	Confident	99 Å²	99	59.2 Å²	59.2	64%	0.643	32%	0.323	S	S	*	.	H	α-helix	trans	-62.2	-40.4	179.6	-23.2	35.2	0	0	0	113.1	S285 T290 V291	S285-P287 VanDerWaalsContact C-CD 3.45Å; S285-P287 VanDerWaalsContact C-N 3.35Å; P287-T290 PolarHBondContact O-N 2.97Å; P287-V291 WeakPolarHBondContact O-CG2 3.47Å; P287-V291 PolarHBondContact O-N 3.07Å
288	A	89.9	Confident	90	Very high	47 Å²	47	61.1 Å²	61.1	39%	0.388	33%	0.33	S	S	.	.	H	α-helix	trans	-66	-44.1	-179.4	0	0	0	0	0	111.7	I281 S285 V286 F292	I281-A288 HydrophobicContact CG2-CB 4.45Å; S285-A288 PolarHBondContact O-N 2.9Å; S285-A288 VanDerWaalsContact O-N 3.12Å; V286-A288 PolarHBondContact O-N 2.72Å; A288-F292 VanDerWaalsContact O-CB 3.26Å; A288-F292 WeakPolarHBondContact O-CB 3.37Å; A288-F292 PolarHBondContact O-N 3.33Å; A288-F292 VanDerWaalsContact O-N 3.1Å
289	R	90.6	Very high	90.3	Very high	3 Å²	3	63.6 Å²	63.6	1%	0.011	35%	0.345	C	S	.	.	H	α-helix	trans	-66.4	-41	177.7	-70.3	-177.9	70.9	161.2	-2.9	112.2	I281 S285 V286 F292 G293 E337 F338 D523	I281-R289 HydrophobicContact CB-CG 4.03Å; I281-R289 HydrophobicContact CG2-CG 3.88Å; S285-R289 PolarHBondContact O-N 3.47Å; V286-R289 PolarHBondContact O-N 3.41Å; R289-F292 PolarHBondContact O-N 3.08Å; R289-G293 PolarHBondContact O-N 3.12Å; R289-E337 IonicContact NH2-OE1 2.77Å; R289-E337 IonicContact NH2-OE2 2.74Å; R289-E337 PolarHBondContact NH2-OE2 3.49Å; R289-F338 HydrophobicContact CB-CD2 3.57Å; R289-F338 HydrophobicContact CB-CE2 3.52Å; R289-F338 HydrophobicContact CB-CG 4.19Å; R289-F338 HydrophobicContact CB-CZ 4.12Å; R289-F338 HydrophobicContact CG-CD2 4.32Å; R289-F338 HydrophobicContact CG-CE2 4.42Å; R289-D523 IonicContact CZ-OD1 2.98Å; R289-D523 IonicContact NH1-OD1 3.53Å; R289-D523 PolarHBondContact NH1-OD1 3.1Å; R289-D523 IonicContact NH1-OD2 2.84Å; R289-D523 IonicContact NH2-OD1 3.37Å; R289-D523 PolarHBondContact NH2-OD1 3.49Å
290	T	90.9	Very high	90.6	Very high	47 Å²	47	63.5 Å²	63.5	29%	0.288	35%	0.345	S	S	.	.	H	α-helix	trans	-61.6	-50.7	177.5	-57.9	0	0	0	0	111.8	V286 P287 F292 G293 I294 F338	V286-T290 PolarHBondContact O-N 2.87Å; V286-T290 PolarHBondContact O-OG1 2.88Å; P287-T290 PolarHBondContact O-N 2.97Å; T290-F292 VanDerWaalsContact C-N 3.33Å; T290-F292 PolarHBondContact O-N 3.36Å; T290-G293 PolarHBondContact O-N 2.88Å; T290-I294 HydrophobicContact CG2-CD1 3.68Å; T290-I294 HydrophobicContact CG2-CG1 4.43Å; T290-I294 WeakPolarHBondContact O-CG1 3.47Å; T290-I294 PolarHBondContact O-N 2.68Å; T290-F338 WeakPolarHBondContact OG1-CE1 3.41Å; T290-F338 WeakPolarHBondContact OG1-CZ 3.45Å
291	V	93.1	Very high	90.9	Very high	91 Å²	91	57.8 Å²	57.8	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-60.3	-47.3	-179.7	171.4	0	0	0	0	110	P287 G293 I294 T295	P287-V291 WeakPolarHBondContact O-CG2 3.47Å; P287-V291 PolarHBondContact O-N 3.07Å; V291-G293 PolarHBondContact O-N 3.02Å; V291-I294 PolarHBondContact O-N 3.04Å; V291-T295 VanDerWaalsContact O-CB 3.3Å; V291-T295 WeakPolarHBondContact O-CB 3.35Å; V291-T295 PolarHBondContact O-N 3.39Å; V291-T295 PolarHBondContact O-OG1 2.96Å
292	F	90.9	Very high	91.3	Very high	56 Å²	56	59.6 Å²	59.6	25%	0.246	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-41.7	-178.9	-168	-90.2	0	0	0	113	L274 V277 A288 R289 T290 T296	L274-F292 VanDerWaalsContact C-CE1 3.49Å; L274-F292 VanDerWaalsContact C-CZ 3.48Å; L274-F292 HydrophobicContact CB-CZ 4.06Å; L274-F292 WeakPolarHBondContact O-CE1 3.27Å; L274-F292 WeakPolarHBondContact O-CZ 3.11Å; V277-F292 HydrophobicContact CB-CZ 4.12Å; A288-F292 VanDerWaalsContact O-CB 3.26Å; A288-F292 WeakPolarHBondContact O-CB 3.37Å; A288-F292 PolarHBondContact O-N 3.33Å; A288-F292 VanDerWaalsContact O-N 3.1Å; R289-F292 PolarHBondContact O-N 3.08Å; T290-F292 VanDerWaalsContact C-N 3.33Å; T290-F292 PolarHBondContact O-N 3.36Å; F292-T296 HydrophobicContact CD1-CG2 4.37Å; F292-T296 HydrophobicContact CE1-CG2 4.16Å; F292-T296 HydrophobicContact CZ-CG2 4.49Å; F292-T296 WeakPolarHBondContact O-CB 3.35Å; F292-T296 VanDerWaalsContact O-CG2 3.27Å; F292-T296 WeakPolarHBondContact O-CG2 3.17Å; F292-T296 PolarHBondContact O-N 3.05Å; F292-T296 PolarHBondContact O-OG1 3.48Å
293	G	91.6	Very high	91.6	Very high	6 Å²	6	55.6 Å²	55.6	6%	0.062	32%	0.321	C	S	.	.	H	α-helix	trans	-68.3	-42.2	176.5	0	0	0	0	0	113.6	R289 T290 V291 T296 V297 L335	R289-G293 PolarHBondContact O-N 3.12Å; T290-G293 PolarHBondContact O-N 2.88Å; V291-G293 PolarHBondContact O-N 3.02Å; G293-T296 WeakPolarHBondContact CA-OG1 3.34Å; G293-T296 PolarHBondContact O-OG1 3.24Å; G293-V297 PolarHBondContact O-N 3.44Å; G293-L335 VanDerWaalsContact CA-CD2 3.45Å
294	I	93.7	Very high	92.1	Very high	101 Å²	101	54.8 Å²	54.8	52%	0.518	32%	0.32	S	S	.	.	H	α-helix	trans	-68.1	-43.9	178.3	-66.5	173.1	0	0	0	110.6	T290 V291 T296 V297 L298	T290-I294 HydrophobicContact CG2-CD1 3.68Å; T290-I294 HydrophobicContact CG2-CG1 4.43Å; T290-I294 WeakPolarHBondContact O-CG1 3.47Å; T290-I294 PolarHBondContact O-N 2.68Å; V291-I294 PolarHBondContact O-N 3.04Å; I294-T296 VanDerWaalsContact C-N 3.33Å; I294-T296 PolarHBondContact O-N 2.98Å; I294-V297 PolarHBondContact O-N 3.03Å; I294-L298 WeakPolarHBondContact O-CB 3.45Å; I294-L298 PolarHBondContact O-N 2.98Å
295	T	94.9	Very high	92.5	Very high	71 Å²	71	52.5 Å²	52.5	44%	0.436	31%	0.312	S	S	.	.	H	α-helix	trans	-61.7	-41.7	178.5	-61.1	0	0	0	0	111.2	V291 V297 L298 T299	V291-T295 VanDerWaalsContact O-CB 3.3Å; V291-T295 WeakPolarHBondContact O-CB 3.35Å; V291-T295 PolarHBondContact O-N 3.39Å; V291-T295 PolarHBondContact O-OG1 2.96Å; T295-V297 PolarHBondContact O-N 3.48Å; T295-L298 PolarHBondContact O-N 2.95Å; T295-T299 WeakPolarHBondContact O-CB 3.37Å; T295-T299 PolarHBondContact O-N 3.24Å; T295-T299 PolarHBondContact O-OG1 3.28Å
296	T	94.8	Very high	92.6	Very high	9 Å²	9	53.6 Å²	53.6	6%	0.055	32%	0.319	C	S	.	.	H	α-helix	trans	-65.5	-38	177.9	48.2	0	0	0	0	112.8	L274 F292 G293 I294 T299 M300	L274-T296 HydrophobicContact CB-CG2 4.47Å; F292-T296 HydrophobicContact CD1-CG2 4.37Å; F292-T296 HydrophobicContact CE1-CG2 4.16Å; F292-T296 HydrophobicContact CZ-CG2 4.49Å; F292-T296 WeakPolarHBondContact O-CB 3.35Å; F292-T296 VanDerWaalsContact O-CG2 3.27Å; F292-T296 WeakPolarHBondContact O-CG2 3.17Å; F292-T296 PolarHBondContact O-N 3.05Å; F292-T296 PolarHBondContact O-OG1 3.48Å; G293-T296 WeakPolarHBondContact CA-OG1 3.34Å; G293-T296 PolarHBondContact O-OG1 3.24Å; I294-T296 VanDerWaalsContact C-N 3.33Å; I294-T296 PolarHBondContact O-N 2.98Å; T296-T299 PolarHBondContact O-N 3.42Å; T296-M300 WeakPolarHBondContact O-CB 3.15Å; T296-M300 PolarHBondContact O-N 3.21Å
297	V	95.6	Very high	92.6	Very high	26 Å²	26	51.7 Å²	51.7	16%	0.158	31%	0.309	C	S	.	.	H	α-helix	trans	-64.3	-42.9	171.8	171	0	0	0	0	111.6	G293 I294 T295 M300 T301 F328 V331 L335	G293-V297 PolarHBondContact O-N 3.44Å; I294-V297 PolarHBondContact O-N 3.03Å; T295-V297 PolarHBondContact O-N 3.48Å; V297-M300 PolarHBondContact O-N 2.83Å; V297-T301 WeakPolarHBondContact O-CB 3.33Å; V297-T301 PolarHBondContact O-N 3.46Å; V297-T301 PolarHBondContact O-OG1 2.74Å; V297-F328 HydrophobicContact CG1-CE2 4.11Å; V297-F328 HydrophobicContact CG1-CZ 4.17Å; V297-V331 HydrophobicContact CB-CG1 4.45Å; V297-V331 HydrophobicContact CG2-CG1 3.68Å; V297-L335 HydrophobicContact CB-CD1 4.38Å; V297-L335 HydrophobicContact CG2-CD1 3.42Å; V297-L335 VanDerWaalsContact CG2-CD1 3.42Å; V297-L335 HydrophobicContact CG2-CG 4.36Å
298	L	95.6	Very high	92.2	Very high	107 Å²	107	54 Å²	54	56%	0.56	30%	0.304	S	S	*	.	H	α-helix	trans	-61.9	-46.8	177	179.6	62.6	0	0	0	110.9	I294 T295 M300 T301 T302	I294-L298 WeakPolarHBondContact O-CB 3.45Å; I294-L298 PolarHBondContact O-N 2.98Å; T295-L298 PolarHBondContact O-N 2.95Å; L298-M300 VanDerWaalsContact C-N 3.33Å; L298-M300 PolarHBondContact O-N 3.29Å; L298-T301 WeakPolarHBondContact O-CB 3.35Å; L298-T301 PolarHBondContact O-N 3.49Å; L298-T302 PolarHBondContact O-N 3.1Å; L298-T302 PolarHBondContact O-OG1 3.48Å; L298-T302 VanDerWaalsContact O-OG1 3.08Å
299	T	95.4	Very high	91.9	Very high	57 Å²	57	58.7 Å²	58.7	35%	0.35	32%	0.318	S	S	.	.	H	α-helix	trans	-58	-45	175.4	-60.1	0	0	0	0	111.3	T271 T295 T296 T301 T302 L303	T271-T299 HydrophobicContact CG2-CG2 4.14Å; T295-T299 WeakPolarHBondContact O-CB 3.37Å; T295-T299 PolarHBondContact O-N 3.24Å; T295-T299 PolarHBondContact O-OG1 3.28Å; T296-T299 PolarHBondContact O-N 3.42Å; T299-T301 VanDerWaalsContact C-N 3.33Å; T299-T301 PolarHBondContact O-N 3.28Å; T299-T302 PolarHBondContact O-N 3.45Å; T299-L303 HydrophobicContact CG2-CD1 4.28Å; T299-L303 WeakPolarHBondContact O-CG 3.25Å; T299-L303 PolarHBondContact O-N 3.13Å
300	M	94.3	Very high	91.1	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-38.7	178.1	-165.8	68.4	-159.4	0	0	112.2	C268 T271 T296 V297 L298 L303 S304 I324 C327 F328	C268-M300 HydrophobicContact CB-CE 4.27Å; T271-M300 HydrophobicContact CG2-CB 4.46Å; T296-M300 WeakPolarHBondContact O-CB 3.15Å; T296-M300 PolarHBondContact O-N 3.21Å; V297-M300 PolarHBondContact O-N 2.83Å; L298-M300 VanDerWaalsContact C-N 3.33Å; L298-M300 PolarHBondContact O-N 3.29Å; M300-L303 PolarHBondContact O-N 2.89Å; M300-S304 WeakPolarHBondContact O-CB 3.45Å; M300-S304 PolarHBondContact O-N 3.3Å; M300-I324 HydrophobicContact CE-CB 4.33Å; M300-I324 HydrophobicContact CE-CG2 3.86Å; M300-I324 VanDerWaalsContact CE-O 3.3Å; M300-I324 WeakPolarHBondContact CE-O 3.45Å; M300-C327 HydrophobicContact CE-CB 3.29Å; M300-C327 HydrophobicContact SD-CB 4.09Å; M300-F328 HydrophobicContact CB-CD2 4.12Å; M300-F328 HydrophobicContact CG-CB 4.11Å; M300-F328 HydrophobicContact CG-CD2 3.71Å; M300-F328 HydrophobicContact CG-CG 4.38Å
301	T	94.8	Very high	90.8	Very high	53 Å²	53	59.8 Å²	59.8	33%	0.325	33%	0.326	S	S	.	.	H	α-helix	trans	-62.6	-45.2	174.8	-55	0	0	0	0	110.9	V297 L298 T299 S304 I305	V297-T301 WeakPolarHBondContact O-CB 3.33Å; V297-T301 PolarHBondContact O-N 3.46Å; V297-T301 PolarHBondContact O-OG1 2.74Å; L298-T301 WeakPolarHBondContact O-CB 3.35Å; L298-T301 PolarHBondContact O-N 3.49Å; T299-T301 VanDerWaalsContact C-N 3.33Å; T299-T301 PolarHBondContact O-N 3.28Å; T301-S304 PolarHBondContact O-N 2.92Å; T301-I305 HydrophobicContact CG2-CD1 4.09Å; T301-I305 WeakPolarHBondContact O-CG1 3.32Å; T301-I305 PolarHBondContact O-N 2.97Å
302	T	94.5	Very high	90.5	Very high	85 Å²	85	56.1 Å²	56.1	52%	0.521	31%	0.305	S	S	.	.	H	α-helix	trans	-62.2	-44.9	176.9	-58.4	0	0	0	0	112.1	L298 T299 S304 I305 S306	L298-T302 PolarHBondContact O-N 3.1Å; L298-T302 PolarHBondContact O-OG1 3.48Å; L298-T302 VanDerWaalsContact O-OG1 3.08Å; T299-T302 PolarHBondContact O-N 3.45Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 3.37Å; T302-I305 PolarHBondContact O-N 2.67Å; T302-S306 WeakPolarHBondContact O-CB 3.44Å; T302-S306 PolarHBondContact O-N 3.25Å
303	L	92.7	Very high	90.3	Very high	33 Å²	33	64 Å²	64	17%	0.173	34%	0.339	C	S	.	.	H	α-helix	trans	-62.2	-40.5	176.1	-71.3	174.6	0	0	0	111.8	P267 T299 M300 S306 A307	P267-L303 HydrophobicContact CB-CD1 3.88Å; P267-L303 HydrophobicContact CB-CD2 3.92Å; T299-L303 HydrophobicContact CG2-CD1 4.28Å; T299-L303 WeakPolarHBondContact O-CG 3.25Å; T299-L303 PolarHBondContact O-N 3.13Å; M300-L303 PolarHBondContact O-N 2.89Å; L303-S306 PolarHBondContact O-N 3.45Å; L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 2.93Å
304	S	91.1	Very high	90.2	Very high	22 Å²	22	65.8 Å²	65.8	15%	0.154	35%	0.349	C	S	.	.	H	α-helix	trans	-63.5	-41.4	176.9	178.1	0	0	0	0	112.9	M300 T301 T302 R308	M300-S304 WeakPolarHBondContact O-CB 3.45Å; M300-S304 PolarHBondContact O-N 3.3Å; T301-S304 PolarHBondContact O-N 2.92Å; T302-S304 VanDerWaalsContact C-N 3.34Å; T302-S304 PolarHBondContact O-N 3.37Å; S304-R308 PolarHBondContact O-N 3.32Å
305	I	91.2	Very high	90	Very high	94 Å²	94	67.1 Å²	67.1	48%	0.482	37%	0.367	S	S	.	.	H	α-helix	trans	-67.5	-46.7	177.1	-66.9	166.2	0	0	0	110.1	T301 T302 A307 R308 H309	T301-I305 HydrophobicContact CG2-CD1 4.09Å; T301-I305 WeakPolarHBondContact O-CG1 3.32Å; T301-I305 PolarHBondContact O-N 2.97Å; T302-I305 PolarHBondContact O-N 2.67Å; I305-A307 VanDerWaalsContact C-N 3.28Å; I305-A307 PolarHBondContact O-N 3.02Å; I305-R308 PolarHBondContact O-N 3.15Å; I305-R308 VanDerWaalsContact O-N 3.11Å; I305-H309 WeakPolarHBondContact CG2-NE2 3.25Å; I305-H309 PolarHBondContact O-CD2 3.42Å; I305-H309 PolarHBondContact O-N 3.37Å
306	S	89.7	Confident	89.9	Confident	72 Å²	72	67.7 Å²	67.7	50%	0.503	36%	0.361	S	S	.	.	H	α-helix	trans	-57.4	-41.3	178.4	-170.3	0	0	0	0	112.2	T302 L303 R308 H309	T302-S306 WeakPolarHBondContact O-CB 3.44Å; T302-S306 PolarHBondContact O-N 3.25Å; L303-S306 PolarHBondContact O-N 3.45Å; S306-R308 VanDerWaalsContact C-N 3.31Å; S306-R308 PolarHBondContact O-N 2.94Å; S306-H309 PolarHBondContact O-N 3.36Å
307	A	87.2	Confident	89.7	Confident	7 Å²	7	69.6 Å²	69.6	6%	0.058	38%	0.378	C	S	.	.	H	α-helix	trans	-60.3	-36.9	177.4	0	0	0	0	0	113.6	T264 L303 I305 M320 I324	T264-A307 HydrophobicContact CG2-CB 4.35Å; L303-A307 WeakPolarHBondContact O-CB 3.33Å; L303-A307 PolarHBondContact O-N 2.93Å; I305-A307 VanDerWaalsContact C-N 3.28Å; I305-A307 PolarHBondContact O-N 3.02Å; A307-M320 HydrophobicContact CB-CE 3.31Å; A307-M320 HydrophobicContact CB-SD 4.19Å; A307-I324 HydrophobicContact CB-CD1 3.65Å
308	R	84.2	Confident	89.6	Confident	146 Å²	146	68.3 Å²	68.3	55%	0.551	37%	0.37	S	S	*	.	H	α-helix	trans	-81.8	-17.8	-175.3	-73.7	-173.8	175.7	166.9	2	114.3	S304 I305 S306 S310 L311 D321	S304-R308 PolarHBondContact O-N 3.32Å; I305-R308 PolarHBondContact O-N 3.15Å; I305-R308 VanDerWaalsContact O-N 3.11Å; S306-R308 VanDerWaalsContact C-N 3.31Å; S306-R308 PolarHBondContact O-N 2.94Å; R308-S310 PolarHBondContact O-N 2.83Å; R308-L311 PolarHBondContact O-N 3.33Å; R308-D321 IonicContact CZ-OD1 2.87Å; R308-D321 IonicContact NE-OD1 3.54Å; R308-D321 PolarHBondContact NE-OD1 3.3Å; R308-D321 IonicContact NH2-OD1 2.97Å; R308-D321 PolarHBondContact NH2-OD1 3.47Å
309	H	83.1	Confident	89.5	Confident	147 Å²	147	63.2 Å²	63.2	68%	0.681	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-25.6	178	-80.8	-68	0	0	0	113.2	I305 S306 L311	I305-H309 WeakPolarHBondContact CG2-NE2 3.25Å; I305-H309 PolarHBondContact O-CD2 3.42Å; I305-H309 PolarHBondContact O-N 3.37Å; S306-H309 PolarHBondContact O-N 3.36Å; H309-L311 VanDerWaalsContact C-N 3.35Å
310	S	74.3	Confident	89.3	Confident	54 Å²	54	60.7 Å²	60.7	38%	0.378	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.6	-179.2	-54.2	0	0	0	0	113.9	R308	R308-S310 PolarHBondContact O-N 2.83Å
311	L	83.2	Confident	89.3	Confident	18 Å²	18	61.7 Å²	61.7	9%	0.094	33%	0.333	C	S	.	.	S	Bend	trans	-116	143.7	-174.6	-79.3	169.8	0	0	0	111.6	L177 F180 R308 H309 M320	L177-L311 HydrophobicContact CD1-CD2 4.34Å; F180-L311 HydrophobicContact CD1-CD1 3.81Å; F180-L311 HydrophobicContact CD1-CD2 3.8Å; F180-L311 HydrophobicContact CD1-CG 4.26Å; F180-L311 HydrophobicContact CD2-CD2 3.63Å; F180-L311 HydrophobicContact CE1-CD1 3.62Å; F180-L311 HydrophobicContact CE1-CD2 3.6Å; F180-L311 HydrophobicContact CE1-CG 3.8Å; F180-L311 HydrophobicContact CE2-CD2 3.38Å; F180-L311 HydrophobicContact CE2-CG 4.34Å; F180-L311 HydrophobicContact CG-CD2 3.81Å; F180-L311 HydrophobicContact CZ-CD1 4.18Å; F180-L311 HydrophobicContact CZ-CD2 3.36Å; F180-L311 HydrophobicContact CZ-CG 3.81Å; R308-L311 PolarHBondContact O-N 3.33Å; H309-L311 VanDerWaalsContact C-N 3.35Å; L311-M320 HydrophobicContact CD1-SD 4.28Å
312	P	87.5	Confident	89.2	Confident	15 Å²	15	66.2 Å²	66.2	10%	0.097	35%	0.345	C	S	.	.			trans	-57.7	152.7	164.6	24.9	-33.8	0	0	0	110.8	D89 L177 V314	D89-P312 VanDerWaalsContact O-CG 3.28Å; D89-P312 WeakPolarHBondContact O-CG 3.38Å; L177-P312 HydrophobicContact CD1-CG 3.36Å; P312-V314 VanDerWaalsContact C-N 3.31Å; P312-V314 HydrophobicContact CG-CG1 4.21Å; P312-V314 PolarHBondContact O-N 3.48Å
313	K	87	Confident	89.2	Confident	222 Å²	222	62.2 Å²	62.2	97%	0.965	32%	0.32	S	S	*	.			trans	-72.6	86.5	173.6	-63.6	179.2	-176.5	176.1	0	109.9
314	V	89.6	Confident	89.3	Confident	43 Å²	43	60.9 Å²	60.9	26%	0.261	31%	0.313	S	S	.	.			trans	-86.8	150.3	172.1	-66.3	0	0	0	0	110.7	L177 P312 Y316 T318	L177-V314 HydrophobicContact CD1-CG1 4.42Å; P312-V314 VanDerWaalsContact C-N 3.31Å; P312-V314 HydrophobicContact CG-CG1 4.21Å; P312-V314 PolarHBondContact O-N 3.48Å; V314-Y316 HydrophobicContact CB-CD1 4.27Å; V314-Y316 HydrophobicContact CB-CE1 3.95Å; V314-Y316 HydrophobicContact CB-CE2 4.26Å; V314-Y316 HydrophobicContact CG1-CE1 4.2Å; V314-Y316 HydrophobicContact CG2-CD2 4.36Å; V314-Y316 HydrophobicContact CG2-CE2 4.16Å; V314-T318 HydrophobicContact CG2-CG2 4.18Å
315	S	90.1	Very high	89.5	Confident	128 Å²	128	62.4 Å²	62.4	90%	0.895	33%	0.326	S	S	*	.	S	Bend	trans	-83.7	-10	-178.9	55.6	0	0	0	0	114.1
316	Y	92.3	Very high	89.7	Confident	83 Å²	83	59.9 Å²	59.9	33%	0.325	32%	0.315	S	S	.	.	S	Bend	trans	-109.2	155.7	-179.3	53.9	-96.3	0	0	0	111.3	L177 V178 V314	L177-Y316 PolarHBondContact N-OH 2.88Å; V178-Y316 HydrophobicContact CB-CE2 4.47Å; V178-Y316 HydrophobicContact CG2-CD2 4.12Å; V178-Y316 HydrophobicContact CG2-CE2 3.78Å; V314-Y316 HydrophobicContact CB-CD1 4.27Å; V314-Y316 HydrophobicContact CB-CE1 3.95Å; V314-Y316 HydrophobicContact CB-CE2 4.26Å; V314-Y316 HydrophobicContact CG1-CE1 4.2Å; V314-Y316 HydrophobicContact CG2-CD2 4.36Å; V314-Y316 HydrophobicContact CG2-CE2 4.16Å
317	A	90.4	Very high	90	Very high	49 Å²	49	56.4 Å²	56.4	41%	0.405	29%	0.291	S	S	.	.			trans	-77.3	127.9	175.2	0	0	0	0	0	110.8	D321	A317-D321 HydrophobicContact CB-CB 4.28Å
318	T	93.4	Very high	90.4	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	30%	0.304	C	S	.	.			trans	-79.8	165.8	174	65.3	0	0	0	0	111.6	L177 V178 F180 V314 M320 D321 W322	L177-T318 WeakPolarHBondContact O-CG2 3.48Å; V178-T318 CarbonylContact O-C 3.57Å; F180-T318 HydrophobicContact CB-CG2 4.32Å; V314-T318 HydrophobicContact CG2-CG2 4.18Å; T318-M320 VanDerWaalsContact C-N 3.25Å; T318-M320 PolarHBondContact O-N 2.97Å; T318-D321 PolarHBondContact N-OD2 2.87Å; T318-D321 VanDerWaalsContact N-OD2 3.12Å; T318-D321 WeakPolarHBondContact O-CB 3.44Å; T318-D321 PolarHBondContact O-N 3.49Å; T318-D321 VanDerWaalsContact O-N 3.08Å; T318-D321 PolarHBondContact OG1-N 3.08Å; T318-D321 VanDerWaalsContact OG1-N 3.1Å; T318-D321 PolarHBondContact OG1-OD2 2.96Å; T318-W322 VanDerWaalsContact O-CD1 3.25Å; T318-W322 PolarHBondContact O-N 2.96Å
319	A	92.6	Very high	91	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.3	-41.5	173.1	0	0	0	0	0	112.1	V178 F180 D321 W322 F323 Y541 Y545	V178-A319 PolarHBondContact O-N 3.13Å; F180-A319 WeakPolarHBondContact O-CB 3.16Å; A319-D321 PolarHBondContact O-N 3.15Å; A319-W322 PolarHBondContact O-N 3.33Å; A319-F323 PolarHBondContact O-N 3.04Å; A319-Y541 PolarHBondContact O-OH 3.12Å; A319-Y545 HydrophobicContact CB-CD1 3.88Å; A319-Y545 HydrophobicContact CB-CE1 3.33Å; A319-Y545 HydrophobicContact CB-CE2 4.16Å; A319-Y545 HydrophobicContact CB-CG 4.48Å; A319-Y545 VanDerWaalsContact CB-CZ 3.49Å
320	M	92.2	Very high	91.6	Very high	3 Å²	3	49.6 Å²	49.6	2%	0.015	27%	0.272	C	S	.	.	H	α-helix	trans	-59.2	-43.4	172.1	-170.4	-167.1	-165.7	0	0	112.9	F180 F260 T264 A307 L311 T318 W322 F323 I324	F180-M320 HydrophobicContact CD1-CB 4.08Å; F180-M320 HydrophobicContact CD1-SD 4Å; F180-M320 HydrophobicContact CE1-SD 3.59Å; F180-M320 VanDerWaalsContact CE1-SD 3.59Å; F180-M320 PolarHBondContact O-N 3.11Å; F180-M320 VanDerWaalsContact O-N 3.08Å; F260-M320 HydrophobicContact CD1-CE 4.32Å; T264-M320 HydrophobicContact CG2-CE 3.28Å; T264-M320 WeakPolarHBondContact OG1-CE 3.23Å; A307-M320 HydrophobicContact CB-CE 3.31Å; A307-M320 HydrophobicContact CB-SD 4.19Å; L311-M320 HydrophobicContact CD1-SD 4.28Å; T318-M320 VanDerWaalsContact C-N 3.25Å; T318-M320 PolarHBondContact O-N 2.97Å; M320-W322 VanDerWaalsContact C-N 3.35Å; M320-W322 PolarHBondContact O-N 3.44Å; M320-F323 WeakPolarHBondContact O-CB 3.4Å; M320-F323 PolarHBondContact O-N 3.48Å; M320-I324 HydrophobicContact CE-CD1 4.3Å; M320-I324 HydrophobicContact CG-CD1 3.98Å; M320-I324 WeakPolarHBondContact O-CG1 3.41Å; M320-I324 PolarHBondContact O-N 3.45Å
321	D	93.3	Very high	92.6	Very high	21 Å²	21	47 Å²	47	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-42.1	176.7	-74.2	-63.4	0	0	0	111.6	R308 A317 T318 A319 F323 I324 A325	R308-D321 IonicContact CZ-OD1 2.87Å; R308-D321 IonicContact NE-OD1 3.54Å; R308-D321 PolarHBondContact NE-OD1 3.3Å; R308-D321 IonicContact NH2-OD1 2.97Å; R308-D321 PolarHBondContact NH2-OD1 3.47Å; A317-D321 HydrophobicContact CB-CB 4.28Å; T318-D321 PolarHBondContact N-OD2 2.87Å; T318-D321 VanDerWaalsContact N-OD2 3.12Å; T318-D321 WeakPolarHBondContact O-CB 3.44Å; T318-D321 PolarHBondContact O-N 3.49Å; T318-D321 VanDerWaalsContact O-N 3.08Å; T318-D321 PolarHBondContact OG1-N 3.08Å; T318-D321 VanDerWaalsContact OG1-N 3.1Å; T318-D321 PolarHBondContact OG1-OD2 2.96Å; A319-D321 PolarHBondContact O-N 3.15Å; D321-F323 VanDerWaalsContact C-N 3.33Å; D321-F323 PolarHBondContact O-N 3.11Å; D321-I324 PolarHBondContact O-N 3.41Å; D321-A325 VanDerWaalsContact O-CB 3.23Å; D321-A325 WeakPolarHBondContact O-CB 3.3Å; D321-A325 PolarHBondContact O-N 3.42Å
322	W	93.8	Very high	93.1	Very high	149 Å²	149	51 Å²	51	56%	0.564	27%	0.271	S	S	*	.	H	α-helix	trans	-60.9	-42.6	175	-78.7	109.5	0	0	0	111.7	T318 A319 M320 A325 V326	T318-W322 VanDerWaalsContact O-CD1 3.25Å; T318-W322 PolarHBondContact O-N 2.96Å; A319-W322 PolarHBondContact O-N 3.33Å; M320-W322 VanDerWaalsContact C-N 3.35Å; M320-W322 PolarHBondContact O-N 3.44Å; W322-A325 PolarHBondContact O-N 2.98Å; W322-V326 WeakPolarHBondContact O-CG2 3.45Å; W322-V326 PolarHBondContact O-N 3.39Å
323	F	95.2	Very high	93.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-61.2	-49.1	176.4	-174.2	-93.5	0	0	0	112.3	Y265 C268 I269 A319 M320 D321 V326 C327 F537 Y541	Y265-F323 AromaticContact CD1-CD1 3.57Å; Y265-F323 HydrophobicContact CD1-CD1 3.57Å; Y265-F323 HydrophobicContact CD1-CD2 4.1Å; Y265-F323 AromaticContact CD1-CE1 3.49Å; Y265-F323 HydrophobicContact CD1-CE1 3.49Å; Y265-F323 VanDerWaalsContact CD1-CE1 3.49Å; Y265-F323 HydrophobicContact CD1-CE2 4.03Å; Y265-F323 AromaticContact CD1-CG 3.88Å; Y265-F323 HydrophobicContact CD1-CG 3.88Å; Y265-F323 AromaticContact CD1-CZ 3.74Å; Y265-F323 HydrophobicContact CD1-CZ 3.74Å; Y265-F323 HydrophobicContact CE1-CB 4.05Å; Y265-F323 AromaticContact CE1-CD1 3.68Å; Y265-F323 HydrophobicContact CE1-CD1 3.68Å; Y265-F323 AromaticContact CE1-CD2 3.92Å; Y265-F323 HydrophobicContact CE1-CD2 3.92Å; Y265-F323 HydrophobicContact CE1-CE1 4.09Å; Y265-F323 HydrophobicContact CE1-CE2 4.3Å; Y265-F323 AromaticContact CE1-CG 3.59Å; Y265-F323 HydrophobicContact CE1-CG 3.59Å; Y265-F323 HydrophobicContact CE1-CZ 4.38Å; Y265-F323 HydrophobicContact CG-CE1 4.45Å; C268-F323 HydrophobicContact CB-CE1 3.93Å; I269-F323 HydrophobicContact CD1-CZ 4.16Å; I269-F323 HydrophobicContact CG1-CE1 4.5Å; I269-F323 HydrophobicContact CG1-CZ 3.82Å; A319-F323 PolarHBondContact O-N 3.04Å; M320-F323 WeakPolarHBondContact O-CB 3.4Å; M320-F323 PolarHBondContact O-N 3.48Å; D321-F323 VanDerWaalsContact C-N 3.33Å; D321-F323 PolarHBondContact O-N 3.11Å; F323-V326 PolarHBondContact O-N 3.41Å; F323-C327 VanDerWaalsContact CE1-SG 3.52Å; F323-C327 WeakPolarHBondContact O-CB 3.25Å; F323-C327 PolarHBondContact O-N 3.32Å; F323-C327 PolarHBondContact O-SG 3.15Å; F323-F537 AromaticContact CD2-CE1 3.74Å; F323-F537 HydrophobicContact CD2-CE1 3.74Å; F323-F537 AromaticContact CD2-CZ 3.9Å; F323-F537 HydrophobicContact CD2-CZ 3.9Å; F323-F537 AromaticContact CE2-CE1 3.79Å; F323-F537 HydrophobicContact CE2-CE1 3.79Å; F323-F537 HydrophobicContact CE2-CZ 4.4Å; F323-Y541 HydrophobicContact CB-CE1 4.49Å; F323-Y541 HydrophobicContact CB-CE2 3.82Å; F323-Y541 AromaticContact CD2-CD1 3.82Å; F323-Y541 HydrophobicContact CD2-CD1 3.82Å; F323-Y541 HydrophobicContact CD2-CD2 4.09Å; F323-Y541 AromaticContact CD2-CE1 3.76Å; F323-Y541 HydrophobicContact CD2-CE1 3.76Å; F323-Y541 HydrophobicContact CD2-CE2 4.04Å; F323-Y541 AromaticContact CD2-CG 3.99Å; F323-Y541 HydrophobicContact CD2-CG 3.99Å; F323-Y541 AromaticContact CD2-CZ 3.88Å; F323-Y541 HydrophobicContact CE2-CD1 4.24Å; F323-Y541 HydrophobicContact CE2-CE1 4.42Å; F323-Y541 HydrophobicContact CG-CE1 4.38Å; F323-Y541 HydrophobicContact CG-CE2 4.41Å
324	I	94.6	Very high	93.7	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.031	24%	0.237	C	C	.	.	H	α-helix	trans	-63.1	-43	178.6	-69.8	171.9	0	0	0	110.6	T264 M300 A307 M320 D321 V326 C327 F328	T264-I324 HydrophobicContact CG2-CD1 4.05Å; T264-I324 HydrophobicContact CG2-CG1 4.39Å; M300-I324 HydrophobicContact CE-CB 4.33Å; M300-I324 HydrophobicContact CE-CG2 3.86Å; M300-I324 VanDerWaalsContact CE-O 3.3Å; M300-I324 WeakPolarHBondContact CE-O 3.45Å; A307-I324 HydrophobicContact CB-CD1 3.65Å; M320-I324 HydrophobicContact CE-CD1 4.3Å; M320-I324 HydrophobicContact CG-CD1 3.98Å; M320-I324 WeakPolarHBondContact O-CG1 3.41Å; M320-I324 PolarHBondContact O-N 3.45Å; D321-I324 PolarHBondContact O-N 3.41Å; I324-V326 PolarHBondContact O-N 2.8Å; I324-C327 PolarHBondContact O-N 3.13Å; I324-F328 WeakPolarHBondContact O-CB 3.33Å; I324-F328 PolarHBondContact O-N 3.41Å
325	A	94.8	Very high	93.8	Very high	53 Å²	53	41.8 Å²	41.8	44%	0.438	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-42.7	179.3	0	0	0	0	0	112.2	D321 W322 F328 A329	D321-A325 VanDerWaalsContact O-CB 3.23Å; D321-A325 WeakPolarHBondContact O-CB 3.3Å; D321-A325 PolarHBondContact O-N 3.42Å; W322-A325 PolarHBondContact O-N 2.98Å; A325-F328 PolarHBondContact O-N 3.35Å; A325-A329 PolarHBondContact O-N 2.98Å
326	V	95.5	Very high	93.9	Very high	41 Å²	41	40.1 Å²	40.1	25%	0.248	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-44.3	176.2	173.1	0	0	0	0	111	W322 F323 I324 F328 A329 F330 F537	W322-V326 WeakPolarHBondContact O-CG2 3.45Å; W322-V326 PolarHBondContact O-N 3.39Å; F323-V326 PolarHBondContact O-N 3.41Å; I324-V326 PolarHBondContact O-N 2.8Å; V326-F328 VanDerWaalsContact C-N 3.28Å; V326-F328 PolarHBondContact O-N 3.37Å; V326-A329 WeakPolarHBondContact O-CB 3.43Å; V326-A329 PolarHBondContact O-N 2.71Å; V326-A329 VanDerWaalsContact O-N 3.15Å; V326-F330 HydrophobicContact CG1-CD2 3.8Å; V326-F330 HydrophobicContact CG1-CE2 3.58Å; V326-F330 VanDerWaalsContact O-CD2 3.25Å; V326-F330 WeakPolarHBondContact O-CD2 3.4Å; V326-F330 PolarHBondContact O-N 2.95Å; V326-F537 HydrophobicContact CB-CE1 4.13Å; V326-F537 HydrophobicContact CB-CE2 3.91Å; V326-F537 HydrophobicContact CB-CZ 3.68Å; V326-F537 HydrophobicContact CG1-CD1 3.9Å; V326-F537 HydrophobicContact CG1-CD2 3.82Å; V326-F537 HydrophobicContact CG1-CE1 3.76Å; V326-F537 HydrophobicContact CG1-CE2 3.68Å; V326-F537 HydrophobicContact CG1-CG 3.92Å; V326-F537 HydrophobicContact CG1-CZ 3.65Å; V326-F537 HydrophobicContact CG2-CE2 3.86Å; V326-F537 HydrophobicContact CG2-CZ 4.06Å
327	C	96.3	Very high	93.9	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-42	174.3	-70.3	0	0	0	0	111.7	V272 M300 F323 I324 F330 V331	V272-C327 HydrophobicContact CG2-CB 3.71Å; M300-C327 HydrophobicContact CE-CB 3.29Å; M300-C327 HydrophobicContact SD-CB 4.09Å; F323-C327 VanDerWaalsContact CE1-SG 3.52Å; F323-C327 WeakPolarHBondContact O-CB 3.25Å; F323-C327 PolarHBondContact O-N 3.32Å; F323-C327 PolarHBondContact O-SG 3.15Å; I324-C327 PolarHBondContact O-N 3.13Å; C327-F330 PolarHBondContact O-N 3.23Å; C327-V331 WeakPolarHBondContact O-CG2 3.42Å; C327-V331 PolarHBondContact O-N 3.43Å; C327-V331 VanDerWaalsContact O-N 3.08Å
328	F	95.3	Very high	93.9	Very high	75 Å²	75	35.5 Å²	35.5	33%	0.329	19%	0.186	S	C	.	.	H	α-helix	trans	-62.4	-42.4	175.7	-170.9	-89.7	0	0	0	111.9	V297 M300 I324 A325 V326 F330 V331 F332	V297-F328 HydrophobicContact CG1-CE2 4.11Å; V297-F328 HydrophobicContact CG1-CZ 4.17Å; M300-F328 HydrophobicContact CB-CD2 4.12Å; M300-F328 HydrophobicContact CG-CB 4.11Å; M300-F328 HydrophobicContact CG-CD2 3.71Å; M300-F328 HydrophobicContact CG-CG 4.38Å; I324-F328 WeakPolarHBondContact O-CB 3.33Å; I324-F328 PolarHBondContact O-N 3.41Å; A325-F328 PolarHBondContact O-N 3.35Å; V326-F328 VanDerWaalsContact C-N 3.28Å; V326-F328 PolarHBondContact O-N 3.37Å; F328-F330 VanDerWaalsContact C-N 3.32Å; F328-F330 PolarHBondContact O-N 2.88Å; F328-V331 PolarHBondContact O-N 3.21Å; F328-F332 VanDerWaalsContact O-CB 3.31Å; F328-F332 WeakPolarHBondContact O-CB 3.42Å; F328-F332 PolarHBondContact O-N 2.92Å
329	A	95.8	Very high	93.8	Very high	50 Å²	50	38.1 Å²	38.1	41%	0.413	21%	0.208	S	C	.	.	H	α-helix	trans	-61.4	-38.4	175.3	0	0	0	0	0	112.4	A325 V326 S333	A325-A329 PolarHBondContact O-N 2.98Å; V326-A329 WeakPolarHBondContact O-CB 3.43Å; V326-A329 PolarHBondContact O-N 2.71Å; V326-A329 VanDerWaalsContact O-N 3.15Å; A329-S333 VanDerWaalsContact O-CB 3.25Å; A329-S333 WeakPolarHBondContact O-CB 3.44Å; A329-S333 PolarHBondContact O-N 3.47Å; A329-S333 PolarHBondContact O-OG 3.34Å
330	F	95.6	Very high	93.7	Very high	31 Å²	31	39.6 Å²	39.6	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-64.9	-46.8	175	-84.9	-72.7	0	0	0	112.6	V272 V326 C327 F328 F332 S333 A334 F530 S533 F534	V272-F330 HydrophobicContact CG1-CB 3.99Å; V272-F330 HydrophobicContact CG1-CG 4.5Å; V326-F330 HydrophobicContact CG1-CD2 3.8Å; V326-F330 HydrophobicContact CG1-CE2 3.58Å; V326-F330 VanDerWaalsContact O-CD2 3.25Å; V326-F330 WeakPolarHBondContact O-CD2 3.4Å; V326-F330 PolarHBondContact O-N 2.95Å; C327-F330 PolarHBondContact O-N 3.23Å; F328-F330 VanDerWaalsContact C-N 3.32Å; F328-F330 PolarHBondContact O-N 2.88Å; F330-F332 VanDerWaalsContact C-N 3.34Å; F330-F332 PolarHBondContact O-N 3.34Å; F330-S333 PolarHBondContact O-N 3.25Å; F330-A334 PolarHBondContact O-N 3.49Å; F330-A334 VanDerWaalsContact O-N 3.09Å; F330-F530 HydrophobicContact CD1-CD1 4.16Å; F330-S533 WeakPolarHBondContact CE1-OG 3.05Å; F330-F534 AromaticContact CD2-CD2 3.76Å; F330-F534 HydrophobicContact CD2-CD2 3.76Å; F330-F534 HydrophobicContact CD2-CE2 4.41Å; F330-F534 HydrophobicContact CE1-CB 4.26Å; F330-F534 HydrophobicContact CE2-CB 4.45Å; F330-F534 AromaticContact CE2-CD2 3.83Å; F330-F534 HydrophobicContact CE2-CD2 3.83Å; F330-F534 HydrophobicContact CG-CD2 4.29Å; F330-F534 HydrophobicContact CZ-CB 4.19Å; F330-F534 HydrophobicContact CZ-CD2 4.41Å
331	V	95.9	Very high	93.5	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-43.3	177.4	177.7	0	0	0	0	110.6	T271 V272 V297 C327 F328 S333 A334 L335	T271-V331 HydrophobicContact CG2-CG2 4.44Å; V272-V331 HydrophobicContact CG2-CG2 4.01Å; V297-V331 HydrophobicContact CB-CG1 4.45Å; V297-V331 HydrophobicContact CG2-CG1 3.68Å; C327-V331 WeakPolarHBondContact O-CG2 3.42Å; C327-V331 PolarHBondContact O-N 3.43Å; C327-V331 VanDerWaalsContact O-N 3.08Å; F328-V331 PolarHBondContact O-N 3.21Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 2.88Å; V331-A334 WeakPolarHBondContact O-CB 3.23Å; V331-A334 PolarHBondContact O-N 3.12Å; V331-L335 PolarHBondContact O-N 2.97Å
332	F	94.8	Very high	93.3	Very high	102 Å²	102	40.9 Å²	40.9	45%	0.447	23%	0.228	S	C	.	.	H	α-helix	trans	-64.7	-37.8	176.3	-172.1	-110.3	0	0	0	112.3	F328 F330 A334 L335 I336	F328-F332 VanDerWaalsContact O-CB 3.31Å; F328-F332 WeakPolarHBondContact O-CB 3.42Å; F328-F332 PolarHBondContact O-N 2.92Å; F330-F332 VanDerWaalsContact C-N 3.34Å; F330-F332 PolarHBondContact O-N 3.34Å; F332-A334 VanDerWaalsContact C-N 3.28Å; F332-A334 PolarHBondContact O-N 2.68Å; F332-L335 WeakPolarHBondContact O-CB 3.42Å; F332-L335 PolarHBondContact O-N 2.85Å; F332-L335 VanDerWaalsContact O-N 3.15Å; F332-I336 HydrophobicContact CD1-CD1 3.72Å; F332-I336 HydrophobicContact CD1-CG1 4.37Å; F332-I336 HydrophobicContact CE1-CD1 3.52Å; F332-I336 HydrophobicContact CE1-CG1 4.16Å; F332-I336 HydrophobicContact CZ-CD1 4.33Å; F332-I336 PolarHBondContact O-N 3.04Å; F332-I336 VanDerWaalsContact O-N 3.09Å
333	S	93.5	Very high	93.1	Very high	46 Å²	46	41.5 Å²	41.5	32%	0.322	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-31.7	175.8	-61.9	0	0	0	0	112.4	A329 F330 V331 L335 I336 E337	A329-S333 VanDerWaalsContact O-CB 3.25Å; A329-S333 WeakPolarHBondContact O-CB 3.44Å; A329-S333 PolarHBondContact O-N 3.47Å; A329-S333 PolarHBondContact O-OG 3.34Å; F330-S333 PolarHBondContact O-N 3.25Å; V331-S333 VanDerWaalsContact C-N 3.33Å; V331-S333 PolarHBondContact O-N 2.88Å; S333-L335 VanDerWaalsContact C-N 3.35Å; S333-I336 PolarHBondContact O-N 3.49Å; S333-E337 WeakPolarHBondContact O-CB 3.35Å; S333-E337 PolarHBondContact O-N 3.34Å
334	A	92.3	Very high	92.8	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.033	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-35.1	173.4	0	0	0	0	0	112.4	F279 F330 V331 F332 E337 F338	F279-A334 HydrophobicContact CE1-CB 4.08Å; F279-A334 HydrophobicContact CZ-CB 3.96Å; F330-A334 PolarHBondContact O-N 3.49Å; F330-A334 VanDerWaalsContact O-N 3.09Å; V331-A334 WeakPolarHBondContact O-CB 3.23Å; V331-A334 PolarHBondContact O-N 3.12Å; F332-A334 VanDerWaalsContact C-N 3.28Å; F332-A334 PolarHBondContact O-N 2.68Å; A334-E337 PolarHBondContact O-N 2.9Å; A334-F338 PolarHBondContact O-N 2.63Å; A334-F338 VanDerWaalsContact O-N 3.1Å
335	L	91.9	Very high	92.4	Very high	36 Å²	36	47.7 Å²	47.7	19%	0.188	26%	0.26	C	S	.	.	H	α-helix	trans	-67.4	-41.2	172	-86.1	177.8	0	0	0	112.6	G293 V297 V331 F332 S333 E337 F338 A339	G293-L335 VanDerWaalsContact CA-CD2 3.45Å; V297-L335 HydrophobicContact CB-CD1 4.38Å; V297-L335 HydrophobicContact CG2-CD1 3.42Å; V297-L335 VanDerWaalsContact CG2-CD1 3.42Å; V297-L335 HydrophobicContact CG2-CG 4.36Å; V331-L335 PolarHBondContact O-N 2.97Å; F332-L335 WeakPolarHBondContact O-CB 3.42Å; F332-L335 PolarHBondContact O-N 2.85Å; F332-L335 VanDerWaalsContact O-N 3.15Å; S333-L335 VanDerWaalsContact C-N 3.35Å; L335-E337 VanDerWaalsContact C-N 3.32Å; L335-F338 PolarHBondContact O-N 2.89Å; L335-A339 PolarHBondContact O-N 3.45Å
336	I	92.8	Very high	92	Very high	94 Å²	94	48.9 Å²	48.9	48%	0.482	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-42.3	175.8	-67	172.2	0	0	0	110.4	F332 S333 F338 A339 A340	F332-I336 HydrophobicContact CD1-CD1 3.72Å; F332-I336 HydrophobicContact CD1-CG1 4.37Å; F332-I336 HydrophobicContact CE1-CD1 3.52Å; F332-I336 HydrophobicContact CE1-CG1 4.16Å; F332-I336 HydrophobicContact CZ-CD1 4.33Å; F332-I336 PolarHBondContact O-N 3.04Å; F332-I336 VanDerWaalsContact O-N 3.09Å; S333-I336 PolarHBondContact O-N 3.49Å; I336-F338 VanDerWaalsContact C-N 3.34Å; I336-F338 PolarHBondContact O-N 3.21Å; I336-A339 PolarHBondContact O-N 3.07Å; I336-A340 WeakPolarHBondContact O-CB 3.43Å; I336-A340 PolarHBondContact O-N 3.39Å
337	E	92.7	Very high	91.5	Very high	13 Å²	13	48.2 Å²	48.2	6%	0.061	26%	0.258	C	S	.	.	H	α-helix	trans	-56.4	-49	175.3	-174.9	-75.8	152.7	0	0	110.9	F279 R289 S333 A334 L335 A339 A340 V341 I522 D523 A526	F279-E337 HydrophobicContact CD1-CG 4.41Å; F279-E337 WeakPolarHBondContact CD1-OE2 3.39Å; F279-E337 HydrophobicContact CE1-CB 4.19Å; F279-E337 HydrophobicContact CE1-CG 3.92Å; F279-E337 WeakPolarHBondContact CE1-OE2 3.48Å; R289-E337 IonicContact NH2-OE1 2.77Å; R289-E337 IonicContact NH2-OE2 2.74Å; R289-E337 PolarHBondContact NH2-OE2 3.49Å; S333-E337 WeakPolarHBondContact O-CB 3.35Å; S333-E337 PolarHBondContact O-N 3.34Å; A334-E337 PolarHBondContact O-N 2.9Å; L335-E337 VanDerWaalsContact C-N 3.32Å; E337-A339 PolarHBondContact O-N 3.23Å; E337-A340 WeakPolarHBondContact O-CB 3.25Å; E337-A340 PolarHBondContact O-N 3.09Å; E337-V341 WeakPolarHBondContact O-CG2 3.37Å; E337-V341 PolarHBondContact O-N 3.4Å; E337-V341 WeakPolarHBondContact OE1-CG2 3.31Å; E337-I522 HydrophobicContact CG-CG2 4.1Å; E337-D523 VanDerWaalsContact OE1-OD1 3.08Å; E337-A526 HydrophobicContact CG-CB 4.12Å
338	F	90.4	Very high	91	Very high	21 Å²	21	53 Å²	53	9%	0.092	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-44.9	176.6	163.6	-113.9	0	0	0	112.3	V286 R289 T290 A334 L335 I336 A340 V341 N342	V286-F338 HydrophobicContact CG1-CE2 4.27Å; V286-F338 HydrophobicContact CG1-CZ 3.77Å; R289-F338 HydrophobicContact CB-CD2 3.57Å; R289-F338 HydrophobicContact CB-CE2 3.52Å; R289-F338 HydrophobicContact CB-CG 4.19Å; R289-F338 HydrophobicContact CB-CZ 4.12Å; R289-F338 HydrophobicContact CG-CD2 4.32Å; R289-F338 HydrophobicContact CG-CE2 4.42Å; T290-F338 WeakPolarHBondContact OG1-CE1 3.41Å; T290-F338 WeakPolarHBondContact OG1-CZ 3.45Å; A334-F338 PolarHBondContact O-N 2.63Å; A334-F338 VanDerWaalsContact O-N 3.1Å; L335-F338 PolarHBondContact O-N 2.89Å; I336-F338 VanDerWaalsContact C-N 3.34Å; I336-F338 PolarHBondContact O-N 3.21Å; F338-A340 VanDerWaalsContact C-N 3.3Å; F338-A340 PolarHBondContact O-N 3.45Å; F338-V341 PolarHBondContact O-N 3.44Å; F338-N342 HydrophobicContact CE2-CB 4.39Å; F338-N342 WeakPolarHBondContact O-CB 3.45Å; F338-N342 PolarHBondContact O-N 2.8Å
339	A	90.7	Very high	90.4	Very high	55 Å²	55	52.4 Å²	52.4	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-60	-42	177.2	0	0	0	0	0	111.6	L335 I336 E337 Y343	L335-A339 PolarHBondContact O-N 3.45Å; I336-A339 PolarHBondContact O-N 3.07Å; E337-A339 PolarHBondContact O-N 3.23Å; A339-Y343 VanDerWaalsContact O-CB 3.32Å; A339-Y343 WeakPolarHBondContact O-CB 3.01Å; A339-Y343 PolarHBondContact O-N 3.32Å
340	A	90	Very high	89.9	Confident	32 Å²	32	54 Å²	54	26%	0.264	28%	0.279	S	S	.	.	H	α-helix	trans	-64.2	-47	175.4	0	0	0	0	0	111.7	I336 E337 F338 N342 Y343 F344	I336-A340 WeakPolarHBondContact O-CB 3.43Å; I336-A340 PolarHBondContact O-N 3.39Å; E337-A340 WeakPolarHBondContact O-CB 3.25Å; E337-A340 PolarHBondContact O-N 3.09Å; F338-A340 VanDerWaalsContact C-N 3.3Å; F338-A340 PolarHBondContact O-N 3.45Å; A340-N342 VanDerWaalsContact C-N 3.35Å; A340-N342 PolarHBondContact O-N 3.2Å; A340-Y343 PolarHBondContact O-N 3.03Å; A340-F344 HydrophobicContact CB-CD2 4.39Å; A340-F344 HydrophobicContact CB-CE2 4.36Å; A340-F344 WeakPolarHBondContact O-CD2 3.2Å; A340-F344 PolarHBondContact O-N 2.83Å
341	V	89.4	Confident	89.3	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-59.5	-45.2	177.2	170.5	0	0	0	0	111.4	K283 E337 F338 T345 I522	K283-V341 HydrophobicContact CB-CG1 4.04Å; E337-V341 WeakPolarHBondContact O-CG2 3.37Å; E337-V341 PolarHBondContact O-N 3.4Å; E337-V341 WeakPolarHBondContact OE1-CG2 3.31Å; F338-V341 PolarHBondContact O-N 3.44Å; V341-T345 WeakPolarHBondContact O-CB 3.42Å; V341-T345 PolarHBondContact O-N 2.98Å; V341-T345 PolarHBondContact O-OG1 3.14Å; V341-I522 HydrophobicContact CG2-CB 3.83Å; V341-I522 HydrophobicContact CG2-CD1 4.16Å; V341-I522 HydrophobicContact CG2-CG2 3.83Å
342	N	88.9	Confident	88.6	Confident	49 Å²	49	63.3 Å²	63.3	26%	0.262	33%	0.326	S	S	.	.	H	α-helix	trans	-64	-46.4	178.5	-171.4	27.5	0	0	0	111.1	F338 A340 T345 N346	F338-N342 HydrophobicContact CE2-CB 4.39Å; F338-N342 WeakPolarHBondContact O-CB 3.45Å; F338-N342 PolarHBondContact O-N 2.8Å; A340-N342 VanDerWaalsContact C-N 3.35Å; A340-N342 PolarHBondContact O-N 3.2Å; N342-T345 PolarHBondContact O-N 3.28Å; N342-N346 WeakPolarHBondContact O-CB 3.22Å; N342-N346 PolarHBondContact O-N 3.14Å; N342-N346 PolarHBondContact O-ND2 3.23Å; N342-N346 VanDerWaalsContact O-ND2 3.12Å; N342-N346 PolarHBondContact OD1-ND2 3.44Å
343	Y	89.4	Confident	87.8	Confident	162 Å²	162	65.3 Å²	65.3	64%	0.635	34%	0.335	S	S	*	.	H	α-helix	trans	-60.2	-50.4	177.9	179.1	-98.5	0	0	0	112.4	A339 A340 T345 N346 A347	A339-Y343 VanDerWaalsContact O-CB 3.32Å; A339-Y343 WeakPolarHBondContact O-CB 3.01Å; A339-Y343 PolarHBondContact O-N 3.32Å; A340-Y343 PolarHBondContact O-N 3.03Å; Y343-T345 PolarHBondContact O-N 3.01Å; Y343-N346 PolarHBondContact O-N 3.35Å; Y343-A347 WeakPolarHBondContact O-CB 3.44Å; Y343-A347 PolarHBondContact O-N 2.82Å
344	F	88.8	Confident	87	Confident	110 Å²	110	72.6 Å²	72.6	48%	0.482	36%	0.355	S	S	.	.	H	α-helix	trans	-66.6	-37.3	179.9	-74.8	-62	0	0	0	112.2	A340 A347 Q348 I522	A340-F344 HydrophobicContact CB-CD2 4.39Å; A340-F344 HydrophobicContact CB-CE2 4.36Å; A340-F344 WeakPolarHBondContact O-CD2 3.2Å; A340-F344 PolarHBondContact O-N 2.83Å; F344-A347 PolarHBondContact O-N 2.95Å; F344-Q348 WeakPolarHBondContact O-CG 3.39Å; F344-Q348 PolarHBondContact O-N 2.94Å; F344-I522 HydrophobicContact CD2-CD1 3.64Å; F344-I522 HydrophobicContact CE2-CD1 4.25Å; F344-I522 HydrophobicContact CG-CD1 4.46Å
345	T	86.4	Confident	85.8	Confident	26 Å²	26	80.6 Å²	80.6	16%	0.16	39%	0.389	C	S	.	.	H	α-helix	trans	-63.4	-47.2	176.5	-57.9	0	0	0	0	110.6	K283 V341 N342 Y343 A347 Q348 I349	K283-T345 HydrophobicContact CD-CG2 4.41Å; V341-T345 WeakPolarHBondContact O-CB 3.42Å; V341-T345 PolarHBondContact O-N 2.98Å; V341-T345 PolarHBondContact O-OG1 3.14Å; N342-T345 PolarHBondContact O-N 3.28Å; Y343-T345 PolarHBondContact O-N 3.01Å; T345-A347 PolarHBondContact O-N 2.93Å; T345-Q348 PolarHBondContact O-N 3.47Å; T345-I349 HydrophobicContact CG2-CD1 4.01Å; T345-I349 VanDerWaalsContact O-CG1 3.3Å; T345-I349 WeakPolarHBondContact O-CG1 3.37Å; T345-I349 PolarHBondContact O-N 3.27Å
346	N	85.9	Confident	84	Confident	78 Å²	78	84.5 Å²	84.5	42%	0.417	42%	0.417	S	S	.	.	H	α-helix	trans	-63.8	-40.9	176.8	-67.5	-26.7	0	0	0	112.1	N342 Y343 Q348 I349 E350	N342-N346 WeakPolarHBondContact O-CB 3.22Å; N342-N346 PolarHBondContact O-N 3.14Å; N342-N346 PolarHBondContact O-ND2 3.23Å; N342-N346 VanDerWaalsContact O-ND2 3.12Å; N342-N346 PolarHBondContact OD1-ND2 3.44Å; Y343-N346 PolarHBondContact O-N 3.35Å; N346-Q348 VanDerWaalsContact C-N 3.32Å; N346-Q348 PolarHBondContact O-N 3.42Å; N346-I349 PolarHBondContact O-N 2.7Å; N346-E350 WeakPolarHBondContact O-CG 3.49Å; N346-E350 PolarHBondContact O-N 2.83Å
347	A	85.3	Confident	82.1	Confident	27 Å²	27	83.5 Å²	83.5	22%	0.223	43%	0.429	C	S	.	.	H	α-helix	trans	-62.5	-37.2	175.9	0	0	0	0	0	112.7	Y343 F344 T345 R351	Y343-A347 WeakPolarHBondContact O-CB 3.44Å; Y343-A347 PolarHBondContact O-N 2.82Å; F344-A347 PolarHBondContact O-N 2.95Å; T345-A347 PolarHBondContact O-N 2.93Å; A347-R351 WeakPolarHBondContact O-CB 3.38Å; A347-R351 VanDerWaalsContact O-CG 3.25Å; A347-R351 WeakPolarHBondContact O-CG 3.42Å; A347-R351 PolarHBondContact O-N 2.87Å
348	Q	84.8	Confident	79.7	Confident	101 Å²	101	92.8 Å²	92.8	47%	0.472	47%	0.47	S	S	.	.	H	α-helix	trans	-70.6	-39.5	175	-65.4	-68.4	4.1	0	0	111.8	F344 T345 N346 R351 A352	F344-Q348 WeakPolarHBondContact O-CG 3.39Å; F344-Q348 PolarHBondContact O-N 2.94Å; T345-Q348 PolarHBondContact O-N 3.47Å; N346-Q348 VanDerWaalsContact C-N 3.32Å; N346-Q348 PolarHBondContact O-N 3.42Å; Q348-R351 PolarHBondContact O-N 2.98Å; Q348-A352 WeakPolarHBondContact O-CB 3.44Å; Q348-A352 PolarHBondContact O-N 2.94Å
349	I	83.9	Confident	77.2	Confident	61 Å²	61	97.4 Å²	97.4	31%	0.313	50%	0.503	S	S	.	.	H	α-helix	trans	-60.3	-46.5	174.2	-69	165.6	0	0	0	110.3	T345 N346 R351 A352 K353 M516	T345-I349 HydrophobicContact CG2-CD1 4.01Å; T345-I349 VanDerWaalsContact O-CG1 3.3Å; T345-I349 WeakPolarHBondContact O-CG1 3.37Å; T345-I349 PolarHBondContact O-N 3.27Å; N346-I349 PolarHBondContact O-N 2.7Å; I349-R351 PolarHBondContact O-N 3.41Å; I349-A352 PolarHBondContact O-N 3.19Å; I349-K353 WeakPolarHBondContact O-CG 3.48Å; I349-K353 PolarHBondContact O-N 3.49Å; I349-M516 HydrophobicContact CG1-CE 4.1Å
350	E	84.4	Confident	75.4	Confident	85 Å²	85	100 Å²	100	40%	0.397	52%	0.515	S	S	.	.	H	α-helix	trans	-65.4	-38.3	177.4	-71.9	-57.2	123.5	0	0	112.6	N346 A352 K353 R354	N346-E350 WeakPolarHBondContact O-CG 3.49Å; N346-E350 PolarHBondContact O-N 2.83Å; E350-A352 VanDerWaalsContact C-N 3.34Å; E350-K353 PolarHBondContact O-N 2.91Å; E350-K353 IonicContact OE1-NZ 2.8Å; E350-K353 PolarHBondContact OE1-NZ 2.94Å; E350-R354 WeakPolarHBondContact O-CG 3.44Å; E350-R354 PolarHBondContact O-N 3.08Å
351	R	83.1	Confident	73.3	Confident	162 Å²	162	104.5 Å²	104.5	61%	0.611	54%	0.542	S	S	*	.	H	α-helix	trans	-65.5	-35.3	172.7	-75.7	173.4	-179.5	175.1	0.5	112.7	A347 Q348 I349 R354	A347-R351 WeakPolarHBondContact O-CB 3.38Å; A347-R351 VanDerWaalsContact O-CG 3.25Å; A347-R351 WeakPolarHBondContact O-CG 3.42Å; A347-R351 PolarHBondContact O-N 2.87Å; Q348-R351 PolarHBondContact O-N 2.98Å; I349-R351 PolarHBondContact O-N 3.41Å; R351-R354 PolarHBondContact O-N 3.12Å
352	A	80.3	Confident	70.8	Confident	63 Å²	63	110.6 Å²	110.6	52%	0.521	58%	0.579	S	S	.	*	H	α-helix	trans	-68.2	-40.2	176.3	0	0	0	0	0	111.5	Q348 I349 E350 R354 K355	Q348-A352 WeakPolarHBondContact O-CB 3.44Å; Q348-A352 PolarHBondContact O-N 2.94Å; I349-A352 PolarHBondContact O-N 3.19Å; E350-A352 VanDerWaalsContact C-N 3.34Å; A352-R354 VanDerWaalsContact C-N 3.27Å; A352-R354 PolarHBondContact O-N 3.43Å; A352-K355 PolarHBondContact O-N 2.87Å
353	K	79.5	Confident	68.5	Low	144 Å²	144	114 Å²	114	63%	0.626	60%	0.603	S	S	*	*	H	α-helix	trans	-63.2	-30.2	173.9	-68.9	175.1	-172.6	168.4	0	113.3	I349 E350	I349-K353 WeakPolarHBondContact O-CG 3.48Å; I349-K353 PolarHBondContact O-N 3.49Å; E350-K353 PolarHBondContact O-N 2.91Å; E350-K353 IonicContact OE1-NZ 2.8Å; E350-K353 PolarHBondContact OE1-NZ 2.94Å
354	R	76.6	Confident	65.9	Low	199 Å²	199	115.3 Å²	115.3	75%	0.751	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.4	-7.1	-179.7	-71.7	-179.6	-173.6	-172.1	1.5	115.1	E350 R351 A352 P356	E350-R354 WeakPolarHBondContact O-CG 3.44Å; E350-R354 PolarHBondContact O-N 3.08Å; R351-R354 PolarHBondContact O-N 3.12Å; A352-R354 VanDerWaalsContact C-N 3.27Å; A352-R354 PolarHBondContact O-N 3.43Å; R354-P356 WeakPolarHBondContact O-CD 2.9Å
355	K	65.9	Low	63.2	Low	173 Å²	173	115.7 Å²	115.7	75%	0.752	63%	0.632	S	S	*	*	S	Bend	trans	-89.7	102.6	172.4	-74.4	-175.9	178.5	-177.7	0	109.3	A352 G357	A352-K355 PolarHBondContact O-N 2.87Å; K355-G357 PolarHBondContact O-N 3.24Å
356	P	54.1	Low	60.6	Low	118 Å²	118	120.7 Å²	120.7	77%	0.766	66%	0.662	S	S	*	*			trans	-64.6	134.7	170.4	26.7	-32.1	0	0	0	109.2	R354 K358	R354-P356 WeakPolarHBondContact O-CD 2.9Å; P356-K358 PolarHBondContact O-N 3.09Å
357	G	54.5	Low	58.2	Low	72 Å²	72	123.1 Å²	123.1	74%	0.742	68%	0.682	S	S	*	*			trans	-56.5	122.6	177.6	0	0	0	0	0	110.8	K355 C359	K355-G357 PolarHBondContact O-N 3.24Å; G357-C359 PolarHBondContact O-N 3.47Å
358	K	40.8	Very low	55.6	Low	209 Å²	209	128.1 Å²	128.1	91%	0.909	71%	0.71	S	S	*	*			trans	-70.6	104.2	160.1	-93.5	167.7	173.1	176.4	0	106.9	P356	P356-K358 PolarHBondContact O-N 3.09Å
359	C	38.6	Very low	52.9	Low	117 Å²	117	133.2 Å²	133.2	79%	0.791	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-61.3	136.3	164.6	-70.1	0	0	0	0	109	G357	G357-C359 PolarHBondContact O-N 3.47Å
360	P	53.3	Low	50.3	Low	110 Å²	110	136.4 Å²	136.4	71%	0.714	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-69	150.4	167.1	28.1	-29.8	0	0	0	110.1
361	P	45.2	Very low	47.7	Very low	126 Å²	126	141 Å²	141	82%	0.818	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-66.1	138.4	176.9	26.9	-31.1	0	0	0	110.9
362	V	37.1	Very low	45	Very low	130 Å²	130	140.3 Å²	140.3	79%	0.788	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-58.2	139.1	173.8	177.3	0	0	0	0	110	Q364	V362-Q364 PolarHBondContact O-N 3.15Å
363	P	41.6	Very low	42.4	Very low	120 Å²	120	142.3 Å²	142.3	78%	0.779	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-70.2	124.8	175.6	27.4	-31.1	0	0	0	110.4
364	Q	34.6	Very low	39.9	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-71.4	125.4	168	-73	179.3	-12.8	0	0	109.3	V362	V362-Q364 PolarHBondContact O-N 3.15Å
365	S	32.3	Very low	37.5	Very low	118 Å²	118	142.9 Å²	142.9	83%	0.825	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-67.2	127.8	167.3	43.3	0	0	0	0	110.3
366	T	32.1	Very low	35.6	Very low	131 Å²	131	140.6 Å²	140.6	80%	0.804	80%	0.799	S	S	*	*			trans	-115.8	141.8	156.7	38.6	0	0	0	0	108.3
367	P	34.5	Very low	34.1	Very low	128 Å²	128	142.2 Å²	142.2	83%	0.831	80%	0.796	S	S	*	*			trans	-77.3	146.2	-168.8	30.6	-32.7	0	0	0	112	K369	P367-K369 PolarHBondContact O-N 3.38Å
368	V	30.5	Very low	32.7	Very low	133 Å²	133	145.3 Å²	145.3	81%	0.806	79%	0.792	S	S	*	*			trans	-44.2	126.4	169.1	174.1	0	0	0	0	111.3	V370	V368-V370 HydrophobicContact CG1-CG2 4.24Å
369	K	29.1	Very low	31.9	Very low	208 Å²	208	142.3 Å²	142.3	90%	0.904	78%	0.781	S	S	*	*			trans	-111.9	117.3	157.5	-131.8	-178.2	-176	-174	0	108.3	P367	P367-K369 PolarHBondContact O-N 3.38Å
370	V	29.5	Very low	31.5	Very low	128 Å²	128	142.9 Å²	142.9	78%	0.776	78%	0.78	S	S	*	*			trans	-62.8	141.1	178	173.5	0	0	0	0	109.9	V368	V368-V370 HydrophobicContact CG1-CG2 4.24Å
371	K	28.1	Very low	31.5	Very low	180 Å²	180	142 Å²	142	78%	0.783	78%	0.775	S	S	*	*			trans	-62.8	141.2	176	-175.6	-178.2	-176.6	-175.6	0	110.8
372	D	27.2	Very low	30.7	Very low	148 Å²	148	142.7 Å²	142.7	79%	0.791	77%	0.772	S	S	*	*			trans	-165.6	134.1	137.1	-96.1	-19.8	0	0	0	113.8
373	T	26.3	Very low	30.3	Very low	106 Å²	106	142.9 Å²	142.9	65%	0.65	77%	0.773	S	S	*	*			trans	79.8	105	143.9	-42.5	0	0	0	0	122.3
374	E	25.9	Very low	29.8	Very low	175 Å²	175	145.1 Å²	145.1	82%	0.818	78%	0.779	S	S	*	*				57.7	158.2	129.5	-63.7	-175.5	142.6	0	0	125.1
375	E	26.1	Very low	29.7	Very low	180 Å²	180	139.4 Å²	139.4	84%	0.841	77%	0.771	S	S	*	*			trans	86.4	102.9	170.7	-57.5	-164.3	148.9	0	0	116.8
376	V	26.4	Very low	29.6	Very low	125 Å²	125	138.7 Å²	138.7	76%	0.758	77%	0.766	S	S	*	*				92.9	119.9	63.1	166.4	0	0	0	0	112.2
377	Q	22.3	Very low	29.7	Very low	151 Å²	151	140.4 Å²	140.4	71%	0.706	77%	0.769	S	S	*	*			trans	94.9	117.7	146.1	-134.3	86.5	-8.3	0	0	123.5
378	Q	25.5	Very low	29.5	Very low	137 Å²	137	145.7 Å²	145.7	64%	0.64	77%	0.773	S	S	*	*				86.4	119.1	129.8	-92.8	167.5	-57.2	0	0	126
379	Q	24.8	Very low	29.6	Very low	147 Å²	147	148.8 Å²	148.8	69%	0.687	78%	0.775	S	S	*	*				60.9	114.4	128.2	-82.8	166.5	-33.6	0	0	120.6
380	V	29.1	Very low	29.6	Very low	128 Å²	128	148.9 Å²	148.9	78%	0.776	77%	0.77	S	S	*	*				78.2	145.6	73.4	175	0	0	0	0	112.3
381	P	52.8	Low	29.6	Very low	93 Å²	93	149 Å²	149	60%	0.604	76%	0.763	S	S	*	*			cis	-138.9	-153.2	-48.4	41.6	-18.4	0	0	0	112
382	D	28	Very low	29.7	Very low	139 Å²	139	146.8 Å²	146.8	74%	0.743	76%	0.76	S	S	*	*			trans	81.4	144.4	162.5	-53.5	-28.7	0	0	0	117.8
383	T	29.8	Very low	29.7	Very low	135 Å²	135	148.6 Å²	148.6	83%	0.828	76%	0.757	S	S	*	*			cis	-164.3	154.4	29.6	-26.4	0	0	0	0	111.3
384	N	31.3	Very low	30	Very low	167 Å²	167	147.9 Å²	147.9	89%	0.893	75%	0.753	S	S	*	*			trans	-68.5	157.7	167.5	-80.5	-38.1	0	0	0	113.6
385	G	31.7	Very low	30.2	Very low	70 Å²	70	144 Å²	144	72%	0.722	75%	0.745	S	S	*	*			trans	-179.4	76.2	167.9	0	0	0	0	0	118.1
386	S	30.3	Very low	30.3	Very low	104 Å²	104	142.2 Å²	142.2	73%	0.727	74%	0.736	S	S	*	*			trans	40.6	125.5	138.4	70.7	0	0	0	0	124.4
387	L	33.6	Very low	30.4	Very low	167 Å²	167	144.4 Å²	144.4	87%	0.874	74%	0.738	S	S	*	*				69.4	144.9	122.8	-69.3	168.1	0	0	0	123.7
388	R	31.9	Very low	30.8	Very low	239 Å²	239	144.4 Å²	144.4	90%	0.902	74%	0.743	S	S	*	*			trans	86.7	112.2	167.2	-66.4	-178.1	170.1	-178.9	-2	115.2
389	K	31.1	Very low	31.6	Very low	197 Å²	197	144 Å²	144	86%	0.857	75%	0.752	S	S	*	*				73.5	130.4	60.1	-159.2	-177.8	-171.1	176.1	0	113
390	R	29.2	Very low	31.8	Very low	211 Å²	211	142 Å²	142	80%	0.796	76%	0.761	S	S	*	*			trans	82.4	145.1	170.8	-83.8	-164.9	168.9	161.6	-5.1	115.3
391	M	29.8	Very low	31.6	Very low	129 Å²	129	139.6 Å²	139.6	64%	0.635	76%	0.762	S	S	*	*			cis	177.4	171.1	-7.3	-168.1	93.2	113.6	0	0	105.6
392	N	29.9	Very low	30.6	Very low	134 Å²	134	144.2 Å²	144.2	72%	0.717	78%	0.776	S	S	*	*			trans	90.7	135.9	147.7	-75.5	-13.1	0	0	0	115.6
393	Y	28.3	Very low	31.1	Very low	186 Å²	186	144 Å²	144	73%	0.729	78%	0.782	S	S	*	*			cis	-165	126.7	14.6	-166.3	-116.2	0	0	0	106
394	V	32	Very low	30.9	Very low	91 Å²	91	149.1 Å²	149.1	55%	0.552	79%	0.786	S	S	*	*				70.5	126	101.5	171.7	0	0	0	0	112.9
395	S	29.5	Very low	30.7	Very low	93 Å²	93	145.3 Å²	145.3	65%	0.65	78%	0.777	S	S	*	*				-172	166.4	68.3	-87.4	0	0	0	0	107.9
396	H	29.3	Very low	30.5	Very low	144 Å²	144	150.8 Å²	150.8	67%	0.667	78%	0.784	S	S	*	*			cis	-167.2	123	-6	-112	-70.3	0	0	0	102.6
397	Q	27.6	Very low	30.3	Very low	170 Å²	170	150.4 Å²	150.4	79%	0.794	78%	0.782	S	S	*	*				98.6	110.2	92.7	-135.8	168.5	10.4	0	0	114.5
398	D	30.9	Very low	30	Very low	151 Å²	151	147.8 Å²	147.8	81%	0.807	77%	0.773	S	S	*	*			trans	-55.1	-176.2	152.7	-71.9	-43.9	0	0	0	111.6
399	P	42.8	Very low	29.8	Very low	128 Å²	128	142.3 Å²	142.3	83%	0.831	77%	0.766	S	S	*	*			cis	-160	-167	29.2	41.5	-14.5	0	0	0	119.7
400	A	28.5	Very low	29.7	Very low	105 Å²	105	139.4 Å²	139.4	87%	0.868	76%	0.76	S	S	*	*			trans	-61.5	172.1	179.4	0	0	0	0	0	119
401	G	26.1	Very low	29.8	Very low	78 Å²	78	136 Å²	136	80%	0.804	76%	0.756	S	S	*	*			trans	156.3	122.6	151.3	0	0	0	0	0	117.3
402	Q	30.6	Very low	29.9	Very low	191 Å²	191	135.5 Å²	135.5	89%	0.893	77%	0.765	S	S	*	*			trans	-57.9	167.5	169.2	-83.3	175.8	-15.8	0	0	114.3
403	P	39.3	Very low	29.9	Very low	135 Å²	135	132 Å²	132	88%	0.877	76%	0.761	S	S	*	*				-156.9	-140.5	60.5	42.8	-16.7	0	0	0	117.3
404	R	25.6	Very low	30	Very low	242 Å²	242	131.7 Å²	131.7	91%	0.913	77%	0.771	S	S	*	*			trans	-109.2	152	-141	-173.1	-174.8	-176.5	168.3	0.2	114.1
405	A	26.4	Very low	30	Very low	86 Å²	86	130.9 Å²	130.9	71%	0.711	78%	0.781	S	S	*	*			trans	76.5	139.9	148.2	0	0	0	0	0	124.4
406	Q	27.7	Very low	30.2	Very low	186 Å²	186	138.7 Å²	138.7	87%	0.869	80%	0.796	S	S	*	*			trans	92.2	110.8	146.6	-79.6	175.1	6.9	0	0	122.9
407	S	26.1	Very low	30.2	Very low	96 Å²	96	135.2 Å²	135.2	67%	0.671	80%	0.8	S	S	*	*				82.4	134.1	124.7	102.6	0	0	0	0	123.8
408	T	27	Very low	30.4	Very low	111 Å²	111	139 Å²	139	68%	0.681	81%	0.807	S	S	*	*			trans	84.5	129.5	137.9	42.5	0	0	0	0	121.9
409	T	28.9	Very low	30.4	Very low	124 Å²	124	140.6 Å²	140.6	76%	0.761	81%	0.809	S	S	*	*			trans	73	142.4	143.6	48.8	0	0	0	0	118
410	N	27.7	Very low	29.8	Very low	137 Å²	137	142.7 Å²	142.7	73%	0.733	81%	0.813	S	S	*	*			cis	-179	166.9	-18.4	-134.5	-6	0	0	0	105.2
411	I	32.7	Very low	29.8	Very low	140 Å²	140	148.9 Å²	148.9	72%	0.718	81%	0.814	S	S	*	*			trans	81.5	99	155.5	-64.9	162.6	0	0	0	115.2
412	S	30.3	Very low	30	Very low	117 Å²	117	149.4 Å²	149.4	82%	0.818	81%	0.81	S	S	*	*				93.8	149.1	80.4	88.5	0	0	0	0	110.2
413	G	30.4	Very low	30	Very low	62 Å²	62	148.8 Å²	148.8	64%	0.639	81%	0.812	S	S	*	*			cis	-172.7	153.7	3	0	0	0	0	0	104.6
414	L	31.5	Very low	29.6	Very low	179 Å²	179	147 Å²	147	94%	0.937	81%	0.809	S	S	*	*				174.3	129.1	81.2	-122.1	67.5	0	0	0	103.9
415	G	32	Very low	29.7	Very low	74 Å²	74	139.4 Å²	139.4	76%	0.763	81%	0.806	S	S	*	*				96.9	136.3	72.1	0	0	0	0	0	108.5
416	R	32.1	Very low	29.7	Very low	256 Å²	256	139 Å²	139	97%	0.966	81%	0.81	S	S	*	*			cis	-163.3	161.5	14.3	-87.5	168.9	156.8	177.7	-6	104.7
417	G	30.5	Very low	29.8	Very low	72 Å²	72	134.6 Å²	134.6	74%	0.742	81%	0.805	S	S	*	*			cis	135.4	134.1	12.7	0	0	0	0	0	109.7
418	R	31.6	Very low	30	Very low	250 Å²	250	138.2 Å²	138.2	94%	0.943	82%	0.817	S	S	*	*			trans	-172.9	128.9	138.5	-120	176.4	177.2	177.4	-1.2	113.5
419	Q	29.8	Very low	30	Very low	183 Å²	183	137 Å²	137	86%	0.855	83%	0.826	S	S	*	*			trans	-85.2	163.7	165.6	-78.4	171.2	-35.5	0	0	111.4
420	L	31.5	Very low	30	Very low	172 Å²	172	136.5 Å²	136.5	90%	0.901	83%	0.828	S	S	*	*			trans	-155	162.2	138.2	-109.5	146.5	0	0	0	112.7
421	R	28.7	Very low	30	Very low	236 Å²	236	135.3 Å²	135.3	89%	0.891	83%	0.831	S	S	*	*			trans	-94.8	167.2	-146	-116.1	176.7	179.5	177.6	-2.9	115.2
422	A	30.7	Very low	29.8	Very low	89 Å²	89	133.4 Å²	133.4	74%	0.736	83%	0.829	S	S	*	*			trans	-74.5	159.6	159.8	0	0	0	0	0	113.5
423	L	29.7	Very low	29.7	Very low	178 Å²	178	133.4 Å²	133.4	93%	0.932	83%	0.825	S	S	*	*			trans	-155.8	143.9	158.5	-106.8	152.5	0	0	0	111.5
424	A	31.8	Very low	29.6	Very low	97 Å²	97	138 Å²	138	80%	0.802	83%	0.834	S	S	*	*			trans	-117.5	164.8	178.7	0	0	0	0	0	110.6
425	G	27.1	Very low	29.4	Very low	83 Å²	83	135 Å²	135	86%	0.856	83%	0.828	S	S	*	*			trans	104.4	137.9	170.6	0	0	0	0	0	113.2
426	G	27.2	Very low	29.1	Very low	77 Å²	77	142.8 Å²	142.8	79%	0.794	83%	0.834	S	S	*	*			cis	151	138.8	6	0	0	0	0	0	109.3
427	A	29.4	Very low	28.9	Very low	94 Å²	94	136 Å²	136	78%	0.777	83%	0.826	S	S	*	*			trans	78.3	124.1	153.4	0	0	0	0	0	123.4
428	N	29.2	Very low	28.8	Very low	172 Å²	172	138.1 Å²	138.1	92%	0.92	83%	0.829	S	S	*	*			trans	67.2	126.9	130.6	-66.5	-6	0	0	0	122.9
429	G	26.9	Very low	29.3	Very low	84 Å²	84	131.6 Å²	131.6	87%	0.866	82%	0.819	S	S	*	*			trans	173.7	95.4	161.4	0	0	0	0	0	112.4
430	S	29	Very low	29.1	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	82%	0.819	S	S	*	*			trans	-81.9	148.3	-175.1	48.4	0	0	0	0	115.3
431	S	27.4	Very low	28.9	Very low	113 Å²	113	129.1 Å²	129.1	79%	0.79	81%	0.812	S	S	*	*			trans	61.7	122.8	134.8	-154.2	0	0	0	0	121.2
432	S	28.9	Very low	28.8	Very low	99 Å²	99	127.4 Å²	127.4	69%	0.692	81%	0.814	S	S	*	*				-173.5	118.5	116.6	60.3	0	0	0	0	112.2
433	T	27.8	Very low	28.7	Very low	117 Å²	117	128.3 Å²	128.3	72%	0.718	82%	0.815	S	S	*	*				46.3	131.1	128.4	63.8	0	0	0	0	119.5
434	L	28.6	Very low	28.8	Very low	160 Å²	160	128.6 Å²	128.6	84%	0.838	82%	0.816	S	S	*	*				176.3	149.7	54	-104.7	131.9	0	0	0	102.8
435	S	26.5	Very low	28.6	Very low	115 Å²	115	132 Å²	132	80%	0.804	82%	0.82	S	S	*	*				-175.9	163.1	54	49.7	0	0	0	0	110.2
436	R	26.5	Very low	28.7	Very low	238 Å²	238	133.8 Å²	133.8	90%	0.898	82%	0.82	S	S	*	*			trans	-107.2	135.3	-170.6	165	-171.1	-174.2	-168.4	3.1	108.5
437	S	27.2	Very low	28.7	Very low	114 Å²	114	136.6 Å²	136.6	80%	0.797	82%	0.821	S	S	*	*			trans	-173.2	112.4	147	47.3	0	0	0	0	113.9
438	S	30	Very low	28.7	Very low	116 Å²	116	136.3 Å²	136.3	81%	0.811	82%	0.818	S	S	*	*			trans	-109.5	155.7	131.8	-55.4	0	0	0	0	105.2
439	P	41.1	Very low	28.7	Very low	112 Å²	112	133.3 Å²	133.3	73%	0.727	81%	0.811	S	S	*	*				-157.7	171.3	68.3	37.7	-14.5	0	0	0	117.6
440	K	26	Very low	28.8	Very low	196 Å²	196	135.2 Å²	135.2	85%	0.852	81%	0.811	S	S	*	*			trans	129.6	131.4	133.4	-78.6	-176.8	-180	179.7	0	117.4
441	S	27.8	Very low	28.8	Very low	107 Å²	107	135.8 Å²	135.8	75%	0.748	82%	0.815	S	S	*	*			trans	-63.2	142.7	163.9	49.4	0	0	0	0	113.8
442	E	26.3	Very low	29	Very low	201 Å²	201	135.2 Å²	135.2	94%	0.939	82%	0.817	S	S	*	*			trans	-140.5	137.5	144	-81.3	-161.6	155.7	0	0	110.3
443	S	29	Very low	29.2	Very low	107 Å²	107	139.4 Å²	139.4	75%	0.748	83%	0.826	S	S	*	*			trans	-105	128.3	173.6	53	0	0	0	0	108.7
444	L	30.8	Very low	29.3	Very low	184 Å²	184	142 Å²	142	96%	0.963	83%	0.834	S	S	*	*			trans	-148.6	133.5	149.6	-86.1	-176.6	0	0	0	110.8
445	L	28.7	Very low	29.4	Very low	169 Å²	169	140.6 Å²	140.6	89%	0.885	83%	0.832	S	S	*	*			trans	-68.4	140.5	170.7	-75.3	146.7	0	0	0	110.9
446	S	27.4	Very low	29.5	Very low	121 Å²	121	145.3 Å²	145.3	85%	0.846	84%	0.838	S	S	*	*			trans	-157.9	143.1	131.3	78.7	0	0	0	0	112.2
447	V	28.7	Very low	29.6	Very low	135 Å²	135	137.2 Å²	137.2	82%	0.818	83%	0.829	S	S	*	*			trans	-88.4	135.1	179.2	167.6	0	0	0	0	108.7
448	A	28.3	Very low	29.8	Very low	88 Å²	88	138.5 Å²	138.5	73%	0.727	83%	0.832	S	S	*	*			trans	-173.4	135.7	137	0	0	0	0	0	112.2
449	S	29.5	Very low	30.1	Very low	109 Å²	109	139 Å²	139	76%	0.762	83%	0.832	S	S	*	*			trans	-34.2	141	165.5	49.9	0	0	0	0	116.8
450	S	28.6	Very low	29.6	Very low	124 Å²	124	145.2 Å²	145.2	87%	0.867	84%	0.841	S	S	*	*			trans	-168.6	122.8	133.4	-79.2	0	0	0	0	111.7
451	S	30.9	Very low	29.9	Very low	127 Å²	127	142.2 Å²	142.2	89%	0.888	84%	0.842	S	S	*	*			trans	-64.9	134.3	166.4	-42.3	0	0	0	0	110.7
452	A	31.6	Very low	30	Very low	101 Å²	101	141.1 Å²	141.1	84%	0.835	84%	0.839	S	S	*	*			trans	-156.8	111.6	157.6	0	0	0	0	0	111.2
453	Q	32	Very low	30.2	Very low	186 Å²	186	138.1 Å²	138.1	87%	0.869	84%	0.835	S	S	*	*			trans	-73.3	150.1	160.7	-68.9	178.8	-47	0	0	110
454	L	29.1	Very low	30.2	Very low	171 Å²	171	138.4 Å²	138.4	90%	0.895	84%	0.837	S	S	*	*			trans	-150.7	100.6	141.5	-155	72.5	0	0	0	111.3
455	V	31.1	Very low	30.3	Very low	132 Å²	132	136 Å²	136	80%	0.8	83%	0.83	S	S	*	*			trans	-92.3	131.2	163.2	169.2	0	0	0	0	107.1
456	K	29.4	Very low	31.1	Very low	213 Å²	213	133.8 Å²	133.8	93%	0.926	83%	0.826	S	S	*	*			trans	-94.8	107.8	178.7	-150.6	172.5	-172.7	177.3	0	109
457	G	29.1	Very low	31.1	Very low	68 Å²	68	135.4 Å²	135.4	70%	0.701	83%	0.825	S	S	*	*			trans	-119.8	136.9	173.9	0	0	0	0	0	111.3
458	T	31.8	Very low	31.3	Very low	142 Å²	142	135.1 Å²	135.1	87%	0.871	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-72.1	150.8	176.1	32.6	0	0	0	0	113.2
459	P	35.9	Very low	31.4	Very low	125 Å²	125	139.3 Å²	139.3	81%	0.812	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-94.5	147.4	-177.1	35.2	-31.3	0	0	0	114.6
460	R	30.9	Very low	31.4	Very low	243 Å²	243	138.9 Å²	138.9	92%	0.917	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-89.7	165.2	154	-79.6	-179.5	173.9	179.9	-2.2	109.7
461	P	32.4	Very low	31.3	Very low	133 Å²	133	136.2 Å²	136.2	86%	0.864	83%	0.825	S	S	*	*			trans	-128.2	159.5	139.3	35.1	-22.7	0	0	0	112.8
462	A	28.4	Very low	31.2	Very low	84 Å²	84	137 Å²	137	69%	0.694	83%	0.825	S	S	*	*			trans	-131.9	152.3	-179.7	0	0	0	0	0	111.8
463	T	30.2	Very low	32.1	Very low	138 Å²	138	138.2 Å²	138.2	85%	0.847	82%	0.824	S	S	*	*			trans	70.5	140.9	148.5	33.2	0	0	0	0	118.6
464	S	30.1	Very low	31.8	Very low	114 Å²	114	133 Å²	133	80%	0.797	82%	0.821	S	S	*	*			cis	-167.5	162.8	31.3	42.2	0	0	0	0	113.5
465	T	32.4	Very low	31.9	Very low	133 Å²	133	135.3 Å²	135.3	82%	0.816	82%	0.818	S	S	*	*			trans	-72.2	-173.2	175.2	45.5	0	0	0	0	115.4
466	P	45.4	Very low	31.8	Very low	123 Å²	123	137.9 Å²	137.9	80%	0.799	81%	0.813	S	S	*	*			cis	-142.5	-169.4	9.7	39.5	-15.1	0	0	0	118.6
467	D	28.2	Very low	31.7	Very low	155 Å²	155	134.2 Å²	134.2	83%	0.829	80%	0.804	S	S	*	*			trans	-62.5	166.1	-173.3	-69.7	-61.1	0	0	0	121.3
468	V	32.2	Very low	31.8	Very low	128 Å²	128	135.8 Å²	135.8	78%	0.776	81%	0.81	S	S	*	*			trans	141.3	110.4	131.9	173.8	0	0	0	0	117.1
469	M	31.2	Very low	31.4	Very low	176 Å²	176	132.7 Å²	132.7	87%	0.867	81%	0.806	S	S	*	*				70.3	128.1	127	-150	169.9	-77.1	0	0	127.2
470	A	28.8	Very low	31.8	Very low	101 Å²	101	132.7 Å²	132.7	84%	0.835	81%	0.806	S	S	*	*			trans	58.2	145.1	144.9	0	0	0	0	0	123.1
471	G	26.3	Very low	31.8	Very low	67 Å²	67	125.9 Å²	125.9	69%	0.691	80%	0.802	S	S	*	*			cis	172.6	144.4	-4.8	0	0	0	0	0	113.9
472	T	29.4	Very low	31.6	Very low	143 Å²	143	124.6 Å²	124.6	88%	0.877	80%	0.796	S	S	*	*			trans	51.9	168.5	147	17.6	0	0	0	0	123.7
473	P	49.7	Very low	31.9	Very low	127 Å²	127	127 Å²	127	83%	0.825	80%	0.796	S	S	*	*			cis	-139.7	174.3	-8.9	35.1	-13.6	0	0	0	118.1
474	G	27	Very low	32	Very low	78 Å²	78	128.4 Å²	128.4	80%	0.804	79%	0.794	S	S	*	*			trans	167.9	94.2	158	0	0	0	0	0	119.4
475	R	29.6	Very low	32.1	Very low	218 Å²	218	131.2 Å²	131.2	82%	0.823	79%	0.793	S	S	*	*			trans	-20.5	153.6	158.6	-98.2	173.4	168.7	-179.3	-2.4	118.8
476	R	29.6	Very low	32	Very low	186 Å²	186	131.4 Å²	131.4	70%	0.702	79%	0.789	S	S	*	*			cis	-177.1	155.1	45	-118	170.8	-160.3	173.8	4.8	112.5
477	D	27.8	Very low	31.3	Very low	137 Å²	137	134.2 Å²	134.2	73%	0.733	80%	0.796	S	S	*	*			trans	69.6	109.3	141.8	-54.8	-24.5	0	0	0	126
478	A	30.3	Very low	31.5	Very low	100 Å²	100	129.9 Å²	129.9	83%	0.826	79%	0.788	S	S	*	*				42.8	110.6	117.1	0	0	0	0	0	123.9
479	G	23.6	Very low	32.1	Very low	77 Å²	77	130 Å²	130	79%	0.794	79%	0.791	S	S	*	*			trans	49.9	174.2	136.7	0	0	0	0	0	122.6
480	P	45.2	Very low	32	Very low	126 Å²	126	132 Å²	132	82%	0.818	80%	0.795	S	S	*	*			cis	-134.4	173.1	-16.4	39.9	-22	0	0	0	115.4
481	A	29.3	Very low	32	Very low	99 Å²	99	134.9 Å²	134.9	82%	0.818	80%	0.796	S	S	*	*			trans	43.5	141.2	140.3	0	0	0	0	0	124.4
482	S	29	Very low	32.4	Very low	107 Å²	107	140 Å²	140	75%	0.748	80%	0.802	S	S	*	*			trans	128.5	131.7	148.6	-179.9	0	0	0	0	111.6
483	L	33.8	Very low	32.3	Very low	134 Å²	134	143.9 Å²	143.9	70%	0.702	80%	0.8	S	S	*	*			cis	-164.3	124.1	1.8	-103.2	165.8	0	0	0	105
484	Q	32.3	Very low	31.5	Very low	168 Å²	168	146.3 Å²	146.3	79%	0.785	80%	0.804	S	S	*	*				51.6	119.2	104.4	-78.8	172.8	-5.2	0	0	118.4
485	H	32.3	Very low	31.6	Very low	172 Å²	172	149.8 Å²	149.8	80%	0.796	80%	0.8	S	S	*	*				-175	135.1	124.9	-117.9	-136	0	0	0	106.8
486	L	31.1	Very low	31.5	Very low	137 Å²	137	147.1 Å²	147.1	72%	0.717	80%	0.798	S	S	*	*			cis	-166.5	124.8	19.6	-133.1	167	0	0	0	109
487	L	31.7	Very low	31.3	Very low	183 Å²	183	147.3 Å²	147.3	96%	0.958	81%	0.81	S	S	*	*			trans	-137.2	131.9	158.9	-114.2	162.2	0	0	0	104.4
488	G	31.6	Very low	31.3	Very low	63 Å²	63	144.5 Å²	144.5	65%	0.649	81%	0.813	S	S	*	*			trans	-152.7	125.2	-178	0	0	0	0	0	112.3
489	P	44.4	Very low	31.2	Very low	130 Å²	130	148 Å²	148	84%	0.844	82%	0.818	S	S	*	*			trans	-97.7	165.2	169.7	36.7	-28.6	0	0	0	111.2
490	K	29	Very low	31.4	Very low	219 Å²	219	154.2 Å²	154.2	95%	0.952	82%	0.823	S	S	*	*			trans	-132.8	137.4	164.9	-123.4	-169.1	-180	-174.8	0	112.1
491	L	30.2	Very low	30.6	Very low	161 Å²	161	156 Å²	156	84%	0.843	83%	0.825	S	S	*	*			trans	-90.8	161.7	-164.1	-152.3	84.6	0	0	0	112.8
492	E	32.7	Very low	30.5	Very low	176 Å²	176	158.5 Å²	158.5	82%	0.822	82%	0.82	S	S	*	*			trans	-49.6	153.2	170.6	-64.1	165.4	123	0	0	116.2
493	R	29.3	Very low	30.5	Very low	223 Å²	223	159.2 Å²	159.2	84%	0.842	82%	0.822	S	S	*	*				161.2	108.3	122.3	-177.7	-178.2	-75.1	173.7	-4.4	111.8
494	I	32.4	Very low	30.2	Very low	178 Å²	178	161.1 Å²	161.1	91%	0.913	82%	0.824	S	S	*	*			trans	-140.2	136	143.2	-64.2	-173.8	0	0	0	107.2
495	Q	28.7	Very low	30	Very low	151 Å²	151	162.2 Å²	162.2	71%	0.706	83%	0.83	S	S	*	*			trans	-111.6	153	-166.1	-134.6	173.9	-15.1	0	0	110.8
496	M	26.6	Very low	29.7	Very low	162 Å²	162	159.9 Å²	159.9	80%	0.798	83%	0.828	S	S	*	*			trans	95	128.5	148.4	-63.8	-89.4	-150.6	0	0	122.2
497	M	26.6	Very low	29.6	Very low	191 Å²	191	159 Å²	159	94%	0.941	83%	0.83	S	S	*	*			trans	84	112.4	154.1	-77.7	-162.1	169.4	0	0	121
498	G	27.2	Very low	29.4	Very low	78 Å²	78	156.5 Å²	156.5	80%	0.804	83%	0.826	S	S	*	*			trans	167.1	69.7	162.1	0	0	0	0	0	113.3	K500	G498-K500 PolarHBondContact O-N 3.4Å
499	N	29	Very low	29.3	Very low	174 Å²	174	158.9 Å²	158.9	93%	0.93	83%	0.833	S	S	*	*			trans	-59.1	123.5	169.8	-96.5	-9.7	0	0	0	111
500	K	27.2	Very low	28.7	Very low	206 Å²	206	161 Å²	161	90%	0.896	83%	0.832	S	S	*	*			trans	-157	130.8	146.2	-146.8	172.6	-175.2	-176.1	0	112	G498	G498-K500 PolarHBondContact O-N 3.4Å
501	L	29.4	Very low	28.9	Very low	165 Å²	165	156.6 Å²	156.6	86%	0.864	83%	0.826	S	S	*	*			trans	-56.5	146.5	-178.1	-82.5	76.1	0	0	0	114.2
502	E	26	Very low	28.9	Very low	150 Å²	150	154.7 Å²	154.7	70%	0.701	82%	0.821	S	S	*	*			trans	-5.4	155.2	151.8	-108.4	-165.5	113.3	0	0	120.3	K504	E502-K504 WeakPolarHBondContact OE1-CB 3.4Å; E502-K504 PolarHBondContact OE1-N 3.47Å
503	P	30	Very low	29.2	Very low	123 Å²	123	151.1 Å²	151.1	80%	0.799	82%	0.821	S	S	*	*				-137.4	142.9	62.3	30.7	-9.7	0	0	0	118.1	Q505	P503-Q505 PolarHBondContact O-N 3.26Å
504	K	26.5	Very low	29.5	Very low	173 Å²	173	144.9 Å²	144.9	75%	0.752	82%	0.817	S	S	*	*			trans	-45.3	116.6	161.7	178.9	179.6	-169.8	176.8	0	113.5	E502	E502-K504 WeakPolarHBondContact OE1-CB 3.4Å; E502-K504 PolarHBondContact OE1-N 3.47Å
505	Q	27.7	Very low	29.8	Very low	192 Å²	192	139.8 Å²	139.8	90%	0.897	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-92.8	116.4	158.5	-89	179	-12.6	0	0	109.7	P503	P503-Q505 PolarHBondContact O-N 3.26Å
506	T	27.2	Very low	30.8	Very low	123 Å²	123	137.1 Å²	137.1	76%	0.755	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-57.8	137.6	166.2	-24.6	0	0	0	0	110	C508	T506-C508 PolarHBondContact O-N 2.84Å
507	P	28.9	Very low	31.7	Very low	119 Å²	119	133 Å²	133	77%	0.773	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.4	123.8	170.3	-5.6	21	0	0	0	108.5	S509	P507-S509 PolarHBondContact O-N 2.98Å; P507-S509 VanDerWaalsContact O-N 3.08Å
508	C	25.9	Very low	33.2	Very low	129 Å²	129	126 Å²	126	87%	0.872	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-53.7	117.5	163	-87.7	0	0	0	0	108.3	T506 Q510	T506-C508 PolarHBondContact O-N 2.84Å; C508-Q510 PolarHBondContact O-N 2.77Å
509	S	29.7	Very low	34.9	Very low	113 Å²	113	126 Å²	126	79%	0.79	76%	0.757	S	S	*	*			trans	-45.8	121.7	165.3	44.5	0	0	0	0	109.7	P507	P507-S509 PolarHBondContact O-N 2.98Å; P507-S509 VanDerWaalsContact O-N 3.08Å
510	Q	33.2	Very low	37.2	Very low	175 Å²	175	118.5 Å²	118.5	82%	0.818	72%	0.719	S	S	*	*			trans	-48	142.4	162.6	-71.8	177.8	-29.7	0	0	108.8	C508 T512	C508-Q510 PolarHBondContact O-N 2.77Å; Q510-T512 PolarHBondContact O-N 3.33Å
511	P	31.6	Very low	39.7	Very low	127 Å²	127	117 Å²	117	83%	0.825	71%	0.713	S	S	*	*			trans	-61.5	111.7	165.1	25.6	-28.2	0	0	0	106.3	A513	P511-A513 PolarHBondContact O-N 3.1Å; P511-A513 VanDerWaalsContact O-N 3.14Å
512	T	31.6	Very low	42.3	Very low	120 Å²	120	111.8 Å²	111.8	74%	0.736	69%	0.685	S	S	*	*			trans	-49.3	122.1	168.1	26.8	0	0	0	0	107.5	Q510 A514	Q510-T512 PolarHBondContact O-N 3.33Å; T512-A514 PolarHBondContact O-N 2.98Å
513	A	38.7	Very low	45.1	Very low	101 Å²	101	104.7 Å²	104.7	84%	0.835	65%	0.652	S	S	*	*	S	Bend	trans	-64.1	20.1	166.2	0	0	0	0	0	112.5	P511 G515	P511-A513 PolarHBondContact O-N 3.1Å; P511-A513 VanDerWaalsContact O-N 3.14Å; A513-G515 VanDerWaalsContact C-N 3.25Å; A513-G515 PolarHBondContact O-N 2.84Å; A513-G515 VanDerWaalsContact O-N 3.08Å
514	A	35.6	Very low	47.7	Very low	92 Å²	92	105.7 Å²	105.7	76%	0.76	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.4	66.5	177.1	0	0	0	0	0	109.2	T512	T512-A514 PolarHBondContact O-N 2.98Å
515	G	39.5	Very low	50.7	Low	71 Å²	71	105.8 Å²	105.8	73%	0.732	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-165.4	-6.4	176.6	0	0	0	0	0	115.1	A513	A513-G515 VanDerWaalsContact C-N 3.25Å; A513-G515 PolarHBondContact O-N 2.84Å; A513-G515 VanDerWaalsContact O-N 3.08Å
516	M	48.6	Very low	53.6	Low	95 Å²	95	96.9 Å²	96.9	47%	0.468	60%	0.599	S	S	.	*			trans	-115.2	15	-179.5	-91.7	150.9	76.2	0	0	114.2	K283 I349 G518	K283-M516 VanDerWaalsContact CE-O 3.3Å; K283-M516 WeakPolarHBondContact CE-O 2.96Å; K283-M516 PolarHBondContact NZ-O 2.93Å; I349-M516 HydrophobicContact CG1-CE 4.1Å; M516-G518 PolarHBondContact O-N 3.35Å
517	G	46.5	Very low	56.6	Low	75 Å²	75	93.8 Å²	93.8	77%	0.773	57%	0.574	S	S	*	*			trans	-71	24.7	171.5	0	0	0	0	0	114.9
518	G	58.1	Low	59.5	Low	44 Å²	44	93.9 Å²	93.9	45%	0.454	57%	0.566	S	S	.	*	S	Bend	trans	-87.9	140.7	172	0	0	0	0	0	111	K283 M516 S520	K283-G518 PolarHBondContact NZ-O 3.18Å; M516-G518 PolarHBondContact O-N 3.35Å; G518-S520 PolarHBondContact O-N 3.37Å
519	T	62.8	Low	62.6	Low	78 Å²	78	93.3 Å²	93.3	48%	0.479	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-48.2	137.6	165.9	45.3	0	0	0	0	109.8	K521	T519-K521 PolarHBondContact O-N 2.99Å
520	S	75.7	Confident	65.6	Low	17 Å²	17	89.2 Å²	89.2	12%	0.119	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-58.4	141.2	175.5	-174.6	0	0	0	0	108.3	G518 I522 D523 K524	G518-S520 PolarHBondContact O-N 3.37Å; S520-I522 PolarHBondContact O-N 3.07Å; S520-I522 VanDerWaalsContact O-N 3.12Å; S520-I522 PolarHBondContact OG-N 3.5Å; S520-D523 WeakPolarHBondContact CB-OD2 3.22Å; S520-D523 PolarHBondContact N-OD2 3.4Å; S520-D523 PolarHBondContact O-N 3.45Å; S520-D523 VanDerWaalsContact O-N 3.07Å; S520-K524 PolarHBondContact O-N 3.3Å
521	K	81.4	Confident	68.4	Low	176 Å²	176	83.5 Å²	83.5	77%	0.765	50%	0.5	S	S	*	.	H	α-helix	trans	-54	-33.2	172.7	-69.1	-175.9	179.5	179.8	0	110.3	T519 K524 Y525	T519-K521 PolarHBondContact O-N 2.99Å; K521-K524 PolarHBondContact O-N 3.2Å; K521-Y525 WeakPolarHBondContact O-CD2 3.47Å; K521-Y525 PolarHBondContact O-N 3.24Å
522	I	82.3	Confident	71.4	Confident	54 Å²	54	82.1 Å²	82.1	28%	0.277	49%	0.489	S	S	.	.	H	α-helix	trans	-66.1	-51	176.7	-56.8	167.9	0	0	0	110.7	E337 V341 F344 S520 K524 Y525 A526	E337-I522 HydrophobicContact CG-CG2 4.1Å; V341-I522 HydrophobicContact CG2-CB 3.83Å; V341-I522 HydrophobicContact CG2-CD1 4.16Å; V341-I522 HydrophobicContact CG2-CG2 3.83Å; F344-I522 HydrophobicContact CD2-CD1 3.64Å; F344-I522 HydrophobicContact CE2-CD1 4.25Å; F344-I522 HydrophobicContact CG-CD1 4.46Å; S520-I522 PolarHBondContact O-N 3.07Å; S520-I522 VanDerWaalsContact O-N 3.12Å; S520-I522 PolarHBondContact OG-N 3.5Å; I522-K524 PolarHBondContact O-N 3.44Å; I522-Y525 PolarHBondContact O-N 2.87Å; I522-Y525 VanDerWaalsContact O-N 3.12Å; I522-A526 WeakPolarHBondContact O-CB 3.27Å; I522-A526 PolarHBondContact O-N 3.34Å
523	D	84.9	Confident	74.4	Confident	2 Å²	2	78.5 Å²	78.5	1%	0.011	47%	0.469	C	S	.	.	H	α-helix	trans	-56.5	-37.6	176.9	-61.7	-53.6	0	0	0	111	R289 E337 S520 Y525 A526 R527	R289-D523 IonicContact CZ-OD1 2.98Å; R289-D523 IonicContact NH1-OD1 3.53Å; R289-D523 PolarHBondContact NH1-OD1 3.1Å; R289-D523 IonicContact NH1-OD2 2.84Å; R289-D523 IonicContact NH2-OD1 3.37Å; R289-D523 PolarHBondContact NH2-OD1 3.49Å; E337-D523 VanDerWaalsContact OE1-OD1 3.08Å; S520-D523 WeakPolarHBondContact CB-OD2 3.22Å; S520-D523 PolarHBondContact N-OD2 3.4Å; S520-D523 PolarHBondContact O-N 3.45Å; S520-D523 VanDerWaalsContact O-N 3.07Å; D523-Y525 PolarHBondContact O-N 2.94Å; D523-A526 PolarHBondContact O-N 2.98Å; D523-R527 WeakPolarHBondContact O-CG 3.45Å; D523-R527 PolarHBondContact O-N 3.48Å
524	K	85.9	Confident	77	Confident	144 Å²	144	74.3 Å²	74.3	63%	0.626	43%	0.432	S	S	*	.	H	α-helix	trans	-63.5	-41	179.1	-170.4	177.6	-179.7	179.9	0	112.7	S520 K521 I522	S520-K524 PolarHBondContact O-N 3.3Å; K521-K524 PolarHBondContact O-N 3.2Å; I522-K524 PolarHBondContact O-N 3.44Å
525	Y	87.9	Confident	79.8	Confident	175 Å²	175	71.8 Å²	71.8	69%	0.686	42%	0.415	S	S	*	.	H	α-helix	trans	-74.6	-40.5	175.4	-69.5	-67.5	0	0	0	111.7	K521 I522 D523 R527 I528 L529	K521-Y525 WeakPolarHBondContact O-CD2 3.47Å; K521-Y525 PolarHBondContact O-N 3.24Å; I522-Y525 PolarHBondContact O-N 2.87Å; I522-Y525 VanDerWaalsContact O-N 3.12Å; D523-Y525 PolarHBondContact O-N 2.94Å; Y525-R527 VanDerWaalsContact C-N 3.28Å; Y525-R527 PolarHBondContact O-N 3.4Å; Y525-I528 PolarHBondContact O-N 3.33Å; Y525-I528 VanDerWaalsContact O-N 3.15Å; Y525-L529 WeakPolarHBondContact O-CB 3.45Å; Y525-L529 PolarHBondContact O-N 3.41Å
526	A	89.3	Confident	82.4	Confident	4 Å²	4	71 Å²	71	3%	0.033	40%	0.401	C	S	.	.	H	α-helix	trans	-59.2	-39.2	-179.9	0	0	0	0	0	112.2	F279 E337 I522 D523 I528 L529 F530	F279-A526 HydrophobicContact CD1-CB 4.3Å; F279-A526 HydrophobicContact CD2-CB 4.09Å; F279-A526 HydrophobicContact CE1-CB 4.36Å; F279-A526 HydrophobicContact CE2-CB 4.13Å; F279-A526 HydrophobicContact CG-CB 4.18Å; F279-A526 HydrophobicContact CZ-CB 4.28Å; E337-A526 HydrophobicContact CG-CB 4.12Å; I522-A526 WeakPolarHBondContact O-CB 3.27Å; I522-A526 PolarHBondContact O-N 3.34Å; D523-A526 PolarHBondContact O-N 2.98Å; A526-I528 PolarHBondContact O-N 2.93Å; A526-I528 VanDerWaalsContact O-N 3.13Å; A526-L529 PolarHBondContact O-N 2.68Å; A526-F530 HydrophobicContact CB-CD2 4.01Å; A526-F530 HydrophobicContact CB-CE2 4.14Å; A526-F530 WeakPolarHBondContact O-CB 3.47Å; A526-F530 PolarHBondContact O-N 2.95Å; A526-F530 VanDerWaalsContact O-N 3.11Å
527	R	90.9	Very high	84.6	Confident	59 Å²	59	68.6 Å²	68.6	22%	0.223	39%	0.388	C	S	.	.	H	α-helix	trans	-58	-23.5	177	-76.3	171.7	-165.5	-169.7	3.1	115.1	F279 W280 D523 Y525 P531	F279-R527 HydrophobicContact CB-CG 3.91Å; F279-R527 PolarHBondContact O-NE 2.93Å; F279-R527 PolarHBondContact O-NH2 2.9Å; W280-R527 HydrophobicContact CZ2-CG 4.44Å; D523-R527 WeakPolarHBondContact O-CG 3.45Å; D523-R527 PolarHBondContact O-N 3.48Å; Y525-R527 VanDerWaalsContact C-N 3.28Å; Y525-R527 PolarHBondContact O-N 3.4Å; R527-P531 WeakPolarHBondContact O-CD 3.46Å; R527-P531 WeakPolarHBondContact O-CG 3.48Å
528	I	90	Very high	86.9	Confident	120 Å²	120	65.9 Å²	65.9	62%	0.615	36%	0.356	S	S	*	.	H	α-helix	trans	-105.3	-45.5	179.2	-59.2	173.2	0	0	0	109.9	Y525 A526 F530 V532	Y525-I528 PolarHBondContact O-N 3.33Å; Y525-I528 VanDerWaalsContact O-N 3.15Å; A526-I528 PolarHBondContact O-N 2.93Å; A526-I528 VanDerWaalsContact O-N 3.13Å; I528-F530 PolarHBondContact O-N 3.27Å; I528-V532 HydrophobicContact CG2-CG2 4.26Å; I528-V532 WeakPolarHBondContact O-CB 3.47Å; I528-V532 WeakPolarHBondContact O-CG2 3.41Å; I528-V532 PolarHBondContact O-N 3.44Å
529	L	91.1	Very high	88.5	Confident	118 Å²	118	70.1 Å²	70.1	62%	0.618	37%	0.366	S	S	*	.	H	α-helix	trans	-64.7	-43.3	-174	-171.8	71.5	0	0	0	112.5	Y525 A526 S533	Y525-L529 WeakPolarHBondContact O-CB 3.45Å; Y525-L529 PolarHBondContact O-N 3.41Å; A526-L529 PolarHBondContact O-N 2.68Å; L529-S533 VanDerWaalsContact O-CB 3.27Å; L529-S533 WeakPolarHBondContact O-CB 3.04Å; L529-S533 PolarHBondContact O-N 3.06Å; L529-S533 PolarHBondContact O-OG 3.42Å
530	F	91.6	Very high	90	Very high	27 Å²	27	70.7 Å²	70.7	12%	0.118	37%	0.369	C	S	.	.	H	α-helix	trans	-68.2	-50.5	-176.4	-84.2	-109	0	0	0	112.9	Q276 F279 F330 A526 I528 V532 S533 F534	Q276-F530 HydrophobicContact CG-CB 4.25Å; F279-F530 HydrophobicContact CE2-CB 3.84Å; F279-F530 HydrophobicContact CE2-CD1 4.05Å; F279-F530 AromaticContact CE2-CD2 3.97Å; F279-F530 HydrophobicContact CE2-CD2 3.97Å; F279-F530 AromaticContact CE2-CG 3.7Å; F279-F530 HydrophobicContact CE2-CG 3.7Å; F279-F530 AromaticContact CZ-CD1 3.91Å; F279-F530 HydrophobicContact CZ-CD1 3.91Å; F279-F530 HydrophobicContact CZ-CD2 4.04Å; F279-F530 HydrophobicContact CZ-CE1 4.02Å; F279-F530 HydrophobicContact CZ-CE2 4.15Å; F279-F530 AromaticContact CZ-CG 3.92Å; F279-F530 HydrophobicContact CZ-CG 3.92Å; F279-F530 HydrophobicContact CZ-CZ 4.13Å; F330-F530 HydrophobicContact CD1-CD1 4.16Å; A526-F530 HydrophobicContact CB-CD2 4.01Å; A526-F530 HydrophobicContact CB-CE2 4.14Å; A526-F530 WeakPolarHBondContact O-CB 3.47Å; A526-F530 PolarHBondContact O-N 2.95Å; A526-F530 VanDerWaalsContact O-N 3.11Å; I528-F530 PolarHBondContact O-N 3.27Å; F530-V532 PolarHBondContact O-N 2.89Å; F530-S533 PolarHBondContact O-OG 3.19Å; F530-F534 WeakPolarHBondContact O-CB 3.48Å; F530-F534 PolarHBondContact O-N 3.4Å
531	P	92.6	Very high	90.8	Very high	55 Å²	55	70.4 Å²	70.4	36%	0.357	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-40.9	176.9	-21.4	29.7	0	0	0	113.1	R527 G535	R527-P531 WeakPolarHBondContact O-CD 3.46Å; R527-P531 WeakPolarHBondContact O-CG 3.48Å; P531-G535 PolarHBondContact O-N 2.95Å
532	V	93.7	Very high	91.3	Very high	98 Å²	98	64.1 Å²	64.1	59%	0.594	34%	0.337	S	S	*	.	H	α-helix	trans	-66.6	-45.6	-179	172.3	0	0	0	0	111.1	I528 F530 G535 A536	I528-V532 HydrophobicContact CG2-CG2 4.26Å; I528-V532 WeakPolarHBondContact O-CB 3.47Å; I528-V532 WeakPolarHBondContact O-CG2 3.41Å; I528-V532 PolarHBondContact O-N 3.44Å; F530-V532 PolarHBondContact O-N 2.89Å; V532-G535 PolarHBondContact O-N 2.78Å; V532-A536 WeakPolarHBondContact O-CB 3.48Å; V532-A536 PolarHBondContact O-N 3.03Å
533	S	94.5	Very high	91.6	Very high	44 Å²	44	65.6 Å²	65.6	31%	0.308	35%	0.348	S	S	.	.	H	α-helix	trans	-65.5	-40.5	177.9	54.5	0	0	0	0	112.3	F330 L529 F530 A536 F537	F330-S533 WeakPolarHBondContact CE1-OG 3.05Å; L529-S533 VanDerWaalsContact O-CB 3.27Å; L529-S533 WeakPolarHBondContact O-CB 3.04Å; L529-S533 PolarHBondContact O-N 3.06Å; L529-S533 PolarHBondContact O-OG 3.42Å; F530-S533 PolarHBondContact O-OG 3.19Å; S533-A536 PolarHBondContact O-N 2.98Å; S533-F537 WeakPolarHBondContact O-CB 3.5Å; S533-F537 PolarHBondContact O-N 3.48Å
534	F	94.8	Very high	91.8	Very high	12 Å²	12	68.5 Å²	68.5	5%	0.053	37%	0.366	C	S	.	.	H	α-helix	trans	-68.2	-38	176.1	-174.5	-116.7	0	0	0	112.6	I269 V272 F330 F530 F537 N538	I269-F534 HydrophobicContact CB-CZ 4.48Å; I269-F534 HydrophobicContact CG1-CE1 4.45Å; I269-F534 HydrophobicContact CG1-CZ 4.11Å; I269-F534 HydrophobicContact CG2-CE1 4.15Å; V272-F534 HydrophobicContact CB-CE1 4.06Å; V272-F534 HydrophobicContact CB-CE2 4.17Å; V272-F534 HydrophobicContact CB-CZ 3.83Å; V272-F534 HydrophobicContact CG1-CD1 3.87Å; V272-F534 HydrophobicContact CG1-CD2 3.83Å; V272-F534 HydrophobicContact CG1-CE1 3.84Å; V272-F534 HydrophobicContact CG1-CE2 3.81Å; V272-F534 HydrophobicContact CG1-CG 3.85Å; V272-F534 HydrophobicContact CG1-CZ 3.81Å; V272-F534 HydrophobicContact CG2-CE2 4.08Å; V272-F534 HydrophobicContact CG2-CZ 4.04Å; F330-F534 AromaticContact CD2-CD2 3.76Å; F330-F534 HydrophobicContact CD2-CD2 3.76Å; F330-F534 HydrophobicContact CD2-CE2 4.41Å; F330-F534 HydrophobicContact CE1-CB 4.26Å; F330-F534 HydrophobicContact CE2-CB 4.45Å; F330-F534 AromaticContact CE2-CD2 3.83Å; F330-F534 HydrophobicContact CE2-CD2 3.83Å; F330-F534 HydrophobicContact CG-CD2 4.29Å; F330-F534 HydrophobicContact CZ-CB 4.19Å; F330-F534 HydrophobicContact CZ-CD2 4.41Å; F530-F534 WeakPolarHBondContact O-CB 3.48Å; F530-F534 PolarHBondContact O-N 3.4Å; F534-F537 HydrophobicContact CD2-CD1 4.18Å; F534-F537 HydrophobicContact CE2-CD1 4.16Å; F534-F537 PolarHBondContact O-N 2.98Å; F534-N538 VanDerWaalsContact CE1-ND2 3.33Å; F534-N538 WeakPolarHBondContact CE1-ND2 3.26Å; F534-N538 VanDerWaalsContact CE2-ND2 3.35Å; F534-N538 WeakPolarHBondContact CE2-ND2 3.09Å; F534-N538 WeakPolarHBondContact CZ-ND2 3.32Å; F534-N538 PolarHBondContact O-N 3.34Å; F534-N538 PolarHBondContact O-ND2 3.4Å
535	G	93.8	Very high	91.7	Very high	40 Å²	40	63.6 Å²	63.6	41%	0.412	34%	0.344	S	S	.	.	H	α-helix	trans	-62.9	-45.6	173.5	0	0	0	0	0	112.3	P531 V532 F537 N538 M539	P531-G535 PolarHBondContact O-N 2.95Å; V532-G535 PolarHBondContact O-N 2.78Å; G535-F537 PolarHBondContact O-N 3.12Å; G535-N538 PolarHBondContact O-N 2.97Å; G535-M539 PolarHBondContact O-N 3.24Å
536	A	94.3	Very high	91.3	Very high	53 Å²	53	59.1 Å²	59.1	44%	0.438	33%	0.331	S	S	.	.	H	α-helix	trans	-61.4	-43.1	175.2	0	0	0	0	0	111.9	V532 S533 M539 V540	V532-A536 WeakPolarHBondContact O-CB 3.48Å; V532-A536 PolarHBondContact O-N 3.03Å; S533-A536 PolarHBondContact O-N 2.98Å; A536-M539 PolarHBondContact O-N 3.07Å; A536-V540 WeakPolarHBondContact O-CG2 3.22Å; A536-V540 PolarHBondContact O-N 3.42Å
537	F	94.9	Very high	90.5	Very high	45 Å²	45	61.2 Å²	61.2	20%	0.197	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-49.4	174.1	165.9	-104.5	0	0	0	112	F323 V326 S533 F534 G535 M539 V540 Y541	F323-F537 AromaticContact CD2-CE1 3.74Å; F323-F537 HydrophobicContact CD2-CE1 3.74Å; F323-F537 AromaticContact CD2-CZ 3.9Å; F323-F537 HydrophobicContact CD2-CZ 3.9Å; F323-F537 AromaticContact CE2-CE1 3.79Å; F323-F537 HydrophobicContact CE2-CE1 3.79Å; F323-F537 HydrophobicContact CE2-CZ 4.4Å; V326-F537 HydrophobicContact CB-CE1 4.13Å; V326-F537 HydrophobicContact CB-CE2 3.91Å; V326-F537 HydrophobicContact CB-CZ 3.68Å; V326-F537 HydrophobicContact CG1-CD1 3.9Å; V326-F537 HydrophobicContact CG1-CD2 3.82Å; V326-F537 HydrophobicContact CG1-CE1 3.76Å; V326-F537 HydrophobicContact CG1-CE2 3.68Å; V326-F537 HydrophobicContact CG1-CG 3.92Å; V326-F537 HydrophobicContact CG1-CZ 3.65Å; V326-F537 HydrophobicContact CG2-CE2 3.86Å; V326-F537 HydrophobicContact CG2-CZ 4.06Å; S533-F537 WeakPolarHBondContact O-CB 3.5Å; S533-F537 PolarHBondContact O-N 3.48Å; F534-F537 HydrophobicContact CD2-CD1 4.18Å; F534-F537 HydrophobicContact CE2-CD1 4.16Å; F534-F537 PolarHBondContact O-N 2.98Å; G535-F537 PolarHBondContact O-N 3.12Å; F537-M539 VanDerWaalsContact C-N 3.34Å; F537-M539 PolarHBondContact O-N 2.88Å; F537-V540 PolarHBondContact O-N 3.47Å; F537-Y541 HydrophobicContact CE2-CD2 4.5Å; F537-Y541 HydrophobicContact CZ-CD2 4.2Å; F537-Y541 HydrophobicContact CZ-CG 4.45Å; F537-Y541 VanDerWaalsContact O-CB 3.27Å; F537-Y541 WeakPolarHBondContact O-CB 3.3Å; F537-Y541 PolarHBondContact O-N 3.39Å
538	N	94	Very high	89.4	Confident	19 Å²	19	62.8 Å²	62.8	10%	0.102	35%	0.354	C	S	.	.	H	α-helix	trans	-60.9	-44.3	178.5	-85	-88.9	0	0	0	111.3	F534 G535 V540 Y541 W542	F534-N538 VanDerWaalsContact CE1-ND2 3.33Å; F534-N538 WeakPolarHBondContact CE1-ND2 3.26Å; F534-N538 VanDerWaalsContact CE2-ND2 3.35Å; F534-N538 WeakPolarHBondContact CE2-ND2 3.09Å; F534-N538 WeakPolarHBondContact CZ-ND2 3.32Å; F534-N538 PolarHBondContact O-N 3.34Å; F534-N538 PolarHBondContact O-ND2 3.4Å; G535-N538 PolarHBondContact O-N 2.97Å; N538-V540 PolarHBondContact O-N 2.87Å; N538-Y541 PolarHBondContact O-N 2.97Å; N538-W542 WeakPolarHBondContact O-CB 3.15Å; N538-W542 PolarHBondContact O-N 3.08Å
539	M	93.1	Very high	87.8	Confident	133 Å²	133	58.6 Å²	58.6	66%	0.655	33%	0.333	S	S	*	.	H	α-helix	trans	-57.3	-50.1	177.4	-169.5	-149.8	-169.9	0	0	111.2	G535 A536 F537 V543	G535-M539 PolarHBondContact O-N 3.24Å; A536-M539 PolarHBondContact O-N 3.07Å; F537-M539 VanDerWaalsContact C-N 3.34Å; F537-M539 PolarHBondContact O-N 2.88Å; M539-V543 WeakPolarHBondContact O-CB 3.32Å; M539-V543 WeakPolarHBondContact O-CG2 3.2Å; M539-V543 PolarHBondContact O-N 2.99Å
540	V	93.3	Very high	86	Confident	90 Å²	90	57.2 Å²	57.2	55%	0.545	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-46	179.2	173.4	0	0	0	0	111	A536 F537 N538 V543 V544	A536-V540 WeakPolarHBondContact O-CG2 3.22Å; A536-V540 PolarHBondContact O-N 3.42Å; F537-V540 PolarHBondContact O-N 3.47Å; N538-V540 PolarHBondContact O-N 2.87Å; V540-V543 PolarHBondContact O-N 3.37Å; V540-V544 HydrophobicContact CG1-CG2 4.22Å; V540-V544 WeakPolarHBondContact O-CB 3.39Å; V540-V544 VanDerWaalsContact O-CG2 3.26Å; V540-V544 WeakPolarHBondContact O-CG2 3.42Å; V540-V544 PolarHBondContact O-N 3.01Å
541	Y	92.8	Very high	83.7	Confident	10 Å²	10	62.7 Å²	62.7	4%	0.039	36%	0.357	C	S	.	.	H	α-helix	trans	-57	-55	-180	-179.6	-93	0	0	0	111.3	M182 Y265 A319 F323 F537 N538 V543 V544 Y545	M182-Y541 HydrophobicContact CE-CE1 4.05Å; Y265-Y541 AromaticContact CE1-CE1 3.69Å; Y265-Y541 HydrophobicContact CE1-CE1 3.69Å; Y265-Y541 AromaticContact CE1-CZ 3.94Å; Y265-Y541 PolarHBondContact OH-OH 2.97Å; A319-Y541 PolarHBondContact O-OH 3.12Å; F323-Y541 HydrophobicContact CB-CE1 4.49Å; F323-Y541 HydrophobicContact CB-CE2 3.82Å; F323-Y541 AromaticContact CD2-CD1 3.82Å; F323-Y541 HydrophobicContact CD2-CD1 3.82Å; F323-Y541 HydrophobicContact CD2-CD2 4.09Å; F323-Y541 AromaticContact CD2-CE1 3.76Å; F323-Y541 HydrophobicContact CD2-CE1 3.76Å; F323-Y541 HydrophobicContact CD2-CE2 4.04Å; F323-Y541 AromaticContact CD2-CG 3.99Å; F323-Y541 HydrophobicContact CD2-CG 3.99Å; F323-Y541 AromaticContact CD2-CZ 3.88Å; F323-Y541 HydrophobicContact CE2-CD1 4.24Å; F323-Y541 HydrophobicContact CE2-CE1 4.42Å; F323-Y541 HydrophobicContact CG-CE1 4.38Å; F323-Y541 HydrophobicContact CG-CE2 4.41Å; F537-Y541 HydrophobicContact CE2-CD2 4.5Å; F537-Y541 HydrophobicContact CZ-CD2 4.2Å; F537-Y541 HydrophobicContact CZ-CG 4.45Å; F537-Y541 VanDerWaalsContact O-CB 3.27Å; F537-Y541 WeakPolarHBondContact O-CB 3.3Å; F537-Y541 PolarHBondContact O-N 3.39Å; N538-Y541 PolarHBondContact O-N 2.97Å; Y541-V543 PolarHBondContact O-N 3.37Å; Y541-V544 PolarHBondContact O-N 3.22Å; Y541-Y545 HydrophobicContact CD1-CD2 4.42Å; Y541-Y545 AromaticContact CD2-CD2 3.71Å; Y541-Y545 HydrophobicContact CD2-CD2 3.71Å; Y541-Y545 AromaticContact CD2-CE2 3.62Å; Y541-Y545 HydrophobicContact CD2-CE2 3.62Å; Y541-Y545 HydrophobicContact CE1-CD2 4.3Å; Y541-Y545 AromaticContact CE2-CD2 3.55Å; Y541-Y545 HydrophobicContact CE2-CD2 3.55Å; Y541-Y545 AromaticContact CE2-CE2 3.39Å; Y541-Y545 HydrophobicContact CE2-CE2 3.39Å; Y541-Y545 HydrophobicContact CG-CD2 4.14Å; Y541-Y545 HydrophobicContact CG-CE2 4.47Å; Y541-Y545 AromaticContact CZ-CD2 3.87Å; Y541-Y545 VanDerWaalsContact O-CD2 3.3Å; Y541-Y545 WeakPolarHBondContact O-CD2 3.4Å; Y541-Y545 PolarHBondContact O-N 2.96Å
542	W	90.8	Very high	81.7	Confident	45 Å²	45	65.7 Å²	65.7	17%	0.17	37%	0.374	C	S	.	.	H	α-helix	trans	-66.3	-38.2	-177.7	-69	115.4	0	0	0	112.1	M182 M257 M261 Y265 N538 L546	M182-W542 HydrophobicContact SD-CE3 4.39Å; M182-W542 HydrophobicContact SD-CZ3 4.05Å; M257-W542 HydrophobicContact CE-CZ3 4.45Å; M261-W542 HydrophobicContact CE-CE3 4.12Å; M261-W542 HydrophobicContact CE-CH2 3.21Å; M261-W542 HydrophobicContact CE-CZ2 4.1Å; M261-W542 HydrophobicContact CE-CZ3 3.22Å; M261-W542 HydrophobicContact SD-CH2 3.42Å; M261-W542 WeakPolarHBondContact SD-CH2 3.3Å; M261-W542 HydrophobicContact SD-CZ2 4.03Å; M261-W542 HydrophobicContact SD-CZ3 4.1Å; Y265-W542 AromaticContact CD1-CH2 3.68Å; Y265-W542 HydrophobicContact CD1-CH2 3.68Å; Y265-W542 AromaticContact CD1-CZ2 3.61Å; Y265-W542 HydrophobicContact CD1-CZ2 3.61Å; Y265-W542 HydrophobicContact CD2-CH2 4.04Å; Y265-W542 AromaticContact CE1-CH2 3.84Å; Y265-W542 HydrophobicContact CE1-CH2 3.84Å; Y265-W542 HydrophobicContact CE1-CZ2 4.06Å; Y265-W542 HydrophobicContact CE2-CH2 4.19Å; Y265-W542 AromaticContact CG-CH2 3.8Å; Y265-W542 HydrophobicContact CG-CH2 3.8Å; Y265-W542 AromaticContact CG-CZ2 3.93Å; Y265-W542 HydrophobicContact CG-CZ2 3.93Å; N538-W542 WeakPolarHBondContact O-CB 3.15Å; N538-W542 PolarHBondContact O-N 3.08Å; W542-L546 HydrophobicContact CB-CD1 4.18Å; W542-L546 HydrophobicContact CE3-CD1 4.09Å; W542-L546 HydrophobicContact CE3-CG 4.24Å; W542-L546 WeakPolarHBondContact O-CB 3.16Å; W542-L546 VanDerWaalsContact O-CG 3.23Å; W542-L546 WeakPolarHBondContact O-CG 3.35Å; W542-L546 PolarHBondContact O-N 2.81Å
543	V	89.9	Confident	79.5	Confident	85 Å²	85	64.7 Å²	64.7	52%	0.515	38%	0.377	S	S	.	.	H	α-helix	trans	-62.7	-48	175.4	169.4	0	0	0	0	110.9	M539 V540 Y541 S547	M539-V543 WeakPolarHBondContact O-CB 3.32Å; M539-V543 WeakPolarHBondContact O-CG2 3.2Å; M539-V543 PolarHBondContact O-N 2.99Å; V540-V543 PolarHBondContact O-N 3.37Å; Y541-V543 PolarHBondContact O-N 3.37Å; V543-S547 WeakPolarHBondContact O-CB 3.25Å; V543-S547 PolarHBondContact O-N 3.41Å; V543-S547 PolarHBondContact O-OG 3.19Å
544	V	88.2	Confident	76.9	Confident	63 Å²	63	71.7 Å²	71.7	38%	0.382	40%	0.401	S	S	.	.	H	α-helix	trans	-63.2	-46.9	-177.6	169.1	0	0	0	0	111.5	V540 Y541 S547 K548	V540-V544 HydrophobicContact CG1-CG2 4.22Å; V540-V544 WeakPolarHBondContact O-CB 3.39Å; V540-V544 VanDerWaalsContact O-CG2 3.26Å; V540-V544 WeakPolarHBondContact O-CG2 3.42Å; V540-V544 PolarHBondContact O-N 3.01Å; Y541-V544 PolarHBondContact O-N 3.22Å; V544-S547 PolarHBondContact O-OG 2.89Å; V544-K548 WeakPolarHBondContact O-CG 3.39Å; V544-K548 PolarHBondContact O-N 3.4Å
545	Y	83.8	Confident	74.1	Confident	41 Å²	41	74.6 Å²	74.6	16%	0.161	44%	0.435	C	S	.	.	H	α-helix	trans	-83	-31.2	-173.9	-70.5	-77	0	0	0	113.7	D179 M182 A319 Y541	D179-Y545 WeakPolarHBondContact OD1-CE1 3.3Å; M182-Y545 HydrophobicContact CE-CD1 4.2Å; M182-Y545 HydrophobicContact CE-CD2 4.32Å; M182-Y545 HydrophobicContact CE-CG 3.73Å; M182-Y545 WeakPolarHBondContact SD-CB 3.33Å; M182-Y545 HydrophobicContact SD-CG 4.43Å; A319-Y545 HydrophobicContact CB-CD1 3.88Å; A319-Y545 HydrophobicContact CB-CE1 3.33Å; A319-Y545 HydrophobicContact CB-CE2 4.16Å; A319-Y545 HydrophobicContact CB-CG 4.48Å; A319-Y545 VanDerWaalsContact CB-CZ 3.49Å; Y541-Y545 HydrophobicContact CD1-CD2 4.42Å; Y541-Y545 AromaticContact CD2-CD2 3.71Å; Y541-Y545 HydrophobicContact CD2-CD2 3.71Å; Y541-Y545 AromaticContact CD2-CE2 3.62Å; Y541-Y545 HydrophobicContact CD2-CE2 3.62Å; Y541-Y545 HydrophobicContact CE1-CD2 4.3Å; Y541-Y545 AromaticContact CE2-CD2 3.55Å; Y541-Y545 HydrophobicContact CE2-CD2 3.55Å; Y541-Y545 AromaticContact CE2-CE2 3.39Å; Y541-Y545 HydrophobicContact CE2-CE2 3.39Å; Y541-Y545 HydrophobicContact CG-CD2 4.14Å; Y541-Y545 HydrophobicContact CG-CE2 4.47Å; Y541-Y545 AromaticContact CZ-CD2 3.87Å; Y541-Y545 VanDerWaalsContact O-CD2 3.3Å; Y541-Y545 WeakPolarHBondContact O-CD2 3.4Å; Y541-Y545 PolarHBondContact O-N 2.96Å
546	L	81.1	Confident	71.2	Confident	81 Å²	81	79.3 Å²	79.3	42%	0.424	48%	0.483	S	S	.	.	H	α-helix	trans	-79	-28	173.6	-62.7	171	0	0	0	113.2	M182 W542 D549 T550	M182-L546 HydrophobicContact SD-CD2 4.32Å; W542-L546 HydrophobicContact CB-CD1 4.18Å; W542-L546 HydrophobicContact CE3-CD1 4.09Å; W542-L546 HydrophobicContact CE3-CG 4.24Å; W542-L546 WeakPolarHBondContact O-CB 3.16Å; W542-L546 VanDerWaalsContact O-CG 3.23Å; W542-L546 WeakPolarHBondContact O-CG 3.35Å; W542-L546 PolarHBondContact O-N 2.81Å; L546-D549 VanDerWaalsContact O-CB 3.3Å; L546-D549 WeakPolarHBondContact O-CB 3.4Å; L546-D549 PolarHBondContact O-N 2.92Å; L546-T550 PolarHBondContact O-N 3.18Å; L546-T550 PolarHBondContact O-OG1 3.21Å
547	S	72.4	Confident	70.1	Confident	48 Å²	48	80.6 Å²	80.6	34%	0.336	49%	0.485	S	S	.	.	H	α-helix	trans	-72.8	-35.9	176.7	62.3	0	0	0	0	112.5	V543 V544 D549 T550 M551	V543-S547 WeakPolarHBondContact O-CB 3.25Å; V543-S547 PolarHBondContact O-N 3.41Å; V543-S547 PolarHBondContact O-OG 3.19Å; V544-S547 PolarHBondContact O-OG 2.89Å; S547-D549 PolarHBondContact O-N 3.5Å; S547-T550 WeakPolarHBondContact CA-OG1 3.43Å; S547-T550 PolarHBondContact O-N 3.46Å; S547-T550 PolarHBondContact O-OG1 3.4Å; S547-M551 WeakPolarHBondContact O-CG 3.12Å; S547-M551 PolarHBondContact O-N 3.46Å; S547-M551 VanDerWaalsContact O-N 3.08Å
548	K	66.6	Low	68.8	Low	92 Å²	92	82.5 Å²	82.5	40%	0.4	50%	0.5	S	S	.	.	H	α-helix	trans	-57.2	-41.2	171	-80.2	177	170.6	-175.6	0	111.7	D179 V544 T550 M551 V552	D179-K548 IonicContact OD1-NZ 2.78Å; D179-K548 PolarHBondContact OD1-NZ 3.14Å; D179-K548 VanDerWaalsContact OD1-NZ 3.11Å; V544-K548 WeakPolarHBondContact O-CG 3.39Å; V544-K548 PolarHBondContact O-N 3.4Å; K548-T550 VanDerWaalsContact C-N 3.29Å; K548-T550 PolarHBondContact O-N 3.25Å; K548-M551 PolarHBondContact O-N 2.8Å; K548-V552 WeakPolarHBondContact O-CG2 3.04Å; K548-V552 PolarHBondContact O-N 3.47Å; K548-V552 VanDerWaalsContact O-N 3.17Å
549	D	56.6	Low	67.4	Low	31 Å²	31	86 Å²	86	17%	0.166	52%	0.522	C	S	.	.	H	α-helix	trans	-60.2	-35.5	177.6	-110	-35.6	0	0	0	113.6	K254 L546 S547	K254-D549 WeakPolarHBondContact CE-OD1 3.41Å; K254-D549 IonicContact NZ-OD1 3.6Å; K254-D549 PolarHBondContact NZ-OD1 3.24Å; K254-D549 IonicContact NZ-OD2 3.45Å; L546-D549 VanDerWaalsContact O-CB 3.3Å; L546-D549 WeakPolarHBondContact O-CB 3.4Å; L546-D549 PolarHBondContact O-N 2.92Å; S547-D549 PolarHBondContact O-N 3.5Å
550	T	53.5	Low	65.9	Low	89 Å²	89	83.2 Å²	83.2	55%	0.546	52%	0.515	S	S	.	.	H	α-helix	trans	-84.3	-29.4	-179.3	28.9	0	0	0	0	113	L546 S547 K548 K554	L546-T550 PolarHBondContact O-N 3.18Å; L546-T550 PolarHBondContact O-OG1 3.21Å; S547-T550 WeakPolarHBondContact CA-OG1 3.43Å; S547-T550 PolarHBondContact O-N 3.46Å; S547-T550 PolarHBondContact O-OG1 3.4Å; K548-T550 VanDerWaalsContact C-N 3.29Å; K548-T550 PolarHBondContact O-N 3.25Å; T550-K554 PolarHBondContact O-N 3.08Å
551	M	43.2	Very low	64.1	Low	143 Å²	143	82.8 Å²	82.8	70%	0.704	51%	0.513	S	S	*	.	H	α-helix	trans	-74	-36.4	176	-67.5	-143.2	-71.7	0	0	112.5	S547 K548 A553 K554 G555	S547-M551 WeakPolarHBondContact O-CG 3.12Å; S547-M551 PolarHBondContact O-N 3.46Å; S547-M551 VanDerWaalsContact O-N 3.08Å; K548-M551 PolarHBondContact O-N 2.8Å; M551-A553 VanDerWaalsContact C-N 3.34Å; M551-K554 PolarHBondContact O-N 3.3Å; M551-G555 PolarHBondContact O-N 3.39Å
552	V	50.8	Low	62.2	Low	117 Å²	117	87.7 Å²	87.7	71%	0.709	54%	0.544	S	S	*	.	H	α-helix	trans	-67.4	-35	174.9	175.3	0	0	0	0	111.5	K548 K554	K548-V552 WeakPolarHBondContact O-CG2 3.04Å; K548-V552 PolarHBondContact O-N 3.47Å; K548-V552 VanDerWaalsContact O-N 3.17Å; V552-K554 VanDerWaalsContact C-N 3.3Å; V552-K554 PolarHBondContact O-N 3.26Å
553	A	47.7	Very low	60.2	Low	78 Å²	78	90.7 Å²	90.7	65%	0.645	57%	0.571	S	S	*	*	H	α-helix	trans	-71.3	-19.5	177.5	0	0	0	0	0	114.5	M551	M551-A553 VanDerWaalsContact C-N 3.34Å
554	K	39.8	Very low	57.9	Low	191 Å²	191	91.2 Å²	91.2	83%	0.83	58%	0.575	S	S	*	*	H	α-helix	trans	-97.6	-9.8	179.2	-81.3	-174.3	174.9	-178.9	0	114.3	T550 M551 V552	T550-K554 PolarHBondContact O-N 3.08Å; M551-K554 PolarHBondContact O-N 3.3Å; V552-K554 VanDerWaalsContact C-N 3.3Å; V552-K554 PolarHBondContact O-N 3.26Å
555	G	36.6	Very low	55.4	Low	73 Å²	73	93.5 Å²	93.5	75%	0.753	59%	0.591	S	S	*	*			trans	-108.2	10.4	-175.8	0	0	0	0	0	115.3	M551	M551-G555 PolarHBondContact O-N 3.39Å
556	G	32.7	Very low	52.8	Low	138 Å²	138	98.3 Å²	98.3	100%	1.423	63%	0.63	S	S	*	*			trans	-105.6	0	-179.8	0	0	0	0	0	112.8

Retrieved 556 of 556 residues in 287.1 ms (Link to these results)

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